Running as unit: rb-build-amd64_4-47386.service ==================================================================================== Mon Mar 10 06:41:57 UTC 2025 - running /srv/jenkins/bin/reproducible_build.sh (for job reproducible_builder_amd64_4) on jenkins, called using "ionos15-amd64 ionos1-amd64" as arguments. Mon Mar 10 06:41:57 UTC 2025 - actually running "reproducible_build.sh" (md5sum 68e686e434c9ab7bc3ec047d8b309cbc) as "/tmp/jenkins-script-oEsnhq41" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Mon Mar 10 06:41:57 UTC 2025 - checking /var/lib/jenkins/offline_nodes if ionos15-amd64.debian.net is marked as down. Mon Mar 10 06:41:57 UTC 2025 - checking via ssh if ionos15-amd64.debian.net is up. removed '/tmp/read-only-fs-test-qL4IZm' Mon Mar 10 06:41:58 UTC 2025 - checking /var/lib/jenkins/offline_nodes if ionos1-amd64.debian.net is marked as down. Mon Mar 10 06:41:58 UTC 2025 - checking via ssh if ionos1-amd64.debian.net is up. removed '/tmp/read-only-fs-test-vYWA2y' ok, let's check if meep is building anywhere yet… ok, meep is not building anywhere… UPDATE 1 ============================================================================= Initialising reproducibly build of meep in trixie on amd64 on jenkins now. 1st build will be done on ionos15-amd64.debian.net. 2nd build will be done on ionos1-amd64.debian.net. ============================================================================= Mon Mar 10 06:42:04 UTC 2025 I: starting to build meep/trixie/amd64 on jenkins on '2025-03-10 06:41' Mon Mar 10 06:42:04 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_4/47386/console.log 1741588924 amd64 trixie meep Mon Mar 10 06:42:04 UTC 2025 I: Downloading source for trixie/meep=1.29.0-1 --2025-03-10 06:42:05-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.29.0-1.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2495 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.29.0-1.dsc’ 0K .. 100% 313M=0s 2025-03-10 06:42:05 (313 MB/s) - ‘meep_1.29.0-1.dsc’ saved [2495/2495] --2025-03-10 06:42:05-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.29.0-1.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2495 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.29.0-1.dsc’ 0K .. 100% 313M=0s 2025-03-10 06:42:05 (313 MB/s) - ‘meep_1.29.0-1.dsc’ saved [2495/2495] Mon Mar 10 06:42:05 UTC 2025 I: meep_1.29.0-1.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: meep Binary: meep, libmeep33, libmeep-dev, python3-meep Architecture: any Version: 1.29.0-1 Maintainer: Thorsten Alteholz Homepage: https://meep.readthedocs.io Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/alteholz/meep Vcs-Git: https://salsa.debian.org/alteholz/meep.git Testsuite: autopkgtest-pkg-python Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit Package-List: libmeep-dev deb libdevel optional arch=any libmeep33 deb libs optional arch=any meep deb science optional arch=any python3-meep deb python optional arch=any Checksums-Sha1: 64f7a6ce26f97e0dace9378c784494b7273a563a 45869613 meep_1.29.0.orig.tar.gz 84218dec65113ac8f929e543cb957eebb5b793d2 143852 meep_1.29.0-1.debian.tar.xz Checksums-Sha256: f63bdf6a8fbae8aad87d4f683da3a466d687848a53bbebe1d6935fb268aeeffa 45869613 meep_1.29.0.orig.tar.gz 0b221840ff61127eb3a6c968b5323552bd5f57ea1da630fa45a8037241c081aa 143852 meep_1.29.0-1.debian.tar.xz Files: 411797e008bb3b64583c40925a835be0 45869613 meep_1.29.0.orig.tar.gz 1375bb06df16b0abe22b23f5f1091a44 143852 meep_1.29.0-1.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQKnBAEBCgCRFiEEYgH7/9u94Hgi6ruWlvysDTh7WEcFAmfEI8pfFIAAAAAALgAo aXNzdWVyLWZwckBub3RhdGlvbnMub3BlbnBncC5maWZ0aGhvcnNlbWFuLm5ldDYy MDFGQkZGREJCREUwNzgyMkVBQkI5Njk2RkNBQzBEMzg3QjU4NDcTHGRlYmlhbkBh bHRlaG9sei5kZQAKCRCW/KwNOHtYR8p5EACp1l1i0mOoQ9s5Q5necOFBZXAyv3ji y33B0IvvaJZJEnHRzRG5dyU4EjPt3ocnPQAHlKcrvYn/xZvh8eHvpIEp5HyZ9kUO tTQtvnGLpJZThp4wrAPiZYX+5xLNnSwaatdTMUwK1OCa2MUzUyHP62Vo9LnDmdXq +Ljf7lj7DuakJOrUVUWA76XpNJx5f4tlp5HqktVZxtGUBkbeCl+FYoU7kZ8pGcrN f686jiv5DFJn4vQuT5BJol0X35HtV18Jo0LrtESjONZIIhwWE3YdcEo0AJIa7oNf V6wPun/7YMmZt2yXqbNtJPVCMoQt8X0UgRBhPSfvcDGMCx5/8CNa8N3I73ZCzCYu hK+cqTx63dXa9NlHKeLgz+Oj5ZaiY20/UwM6nD3M2IqjB8hUhD1J26ONyzoDDdI6 AF3DvtPhUWBPHUYJ1Ug7kgPA5Gyh6NRGSt+xIh33u0/SBqNKJl0TqgetSBXXRA8f hXb2fFSNxUBLKJZnz3mgMqIzc2/2Cxzv53bxMVHSj+2PRb5XlNVd4ikD5haHGtL6 VE8TzUWGA6vA063xFk6ghWlRfmHJT6AHffJGz9cUkvGHjICKhrPXVkjT4gE/bEWm spTN86AqnMu+BoXnlUkeqsQGKfXGaq8jS+D4OLC8LWfo/fqVwHZ/N84kGIcRK4a1 ti+5r0qUjCaeXQ== =cfF/ -----END PGP SIGNATURE----- Mon Mar 10 06:42:05 UTC 2025 I: Checking whether the package is not for us Mon Mar 10 06:42:05 UTC 2025 I: Starting 1st build on remote node ionos15-amd64.debian.net. Mon Mar 10 06:42:05 UTC 2025 I: Preparing to do remote build '1' on ionos15-amd64.debian.net. Mon Mar 10 06:42:05 UTC 2025 - checking /var/lib/jenkins/offline_nodes if ionos15-amd64.debian.net is marked as down. Mon Mar 10 06:42:05 UTC 2025 - checking via ssh if ionos15-amd64.debian.net is up. removed '/tmp/read-only-fs-test-ZRMa4r' ==================================================================================== Sun Apr 12 13:05:03 UTC 2026 - running /srv/jenkins/bin/reproducible_build.sh (for job /srv/jenkins/bin/reproducible_build.sh) on ionos15-amd64, called using "1 meep trixie /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9 1.29.0-1" as arguments. Sun Apr 12 13:05:03 UTC 2026 - actually running "reproducible_build.sh" (md5sum 68e686e434c9ab7bc3ec047d8b309cbc) as "/tmp/jenkins-script-FYDnW9Q4" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Sun Apr 12 13:05:03 UTC 2026 I: Downloading source for trixie/meep=1.29.0-1 Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 46.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (dsc) [2495 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (tar) [45.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (diff) [144 kB] Fetched 46.0 MB in 1s (47.6 MB/s) Download complete and in download only mode Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 46.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (dsc) [2495 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (tar) [45.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (diff) [144 kB] Fetched 46.0 MB in 1s (47.6 MB/s) Download complete and in download only mode ============================================================================= Building meep in trixie on amd64 on ionos15-amd64 now. Date: Sun Apr 12 13:05:05 UTC 2026 Date UTC: Sun Apr 12 13:05:05 UTC 2026 ============================================================================= W: /root/.pbuilderrc does not exist I: Logging to b1/build.log I: pbuilder: network access will be disabled during build I: Current time: Sun Apr 12 01:05:05 -12 2026 I: pbuilder-time-stamp: 1775999105 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.29.0-1.dsc] I: copying [./meep_1.29.0.orig.tar.gz] I: copying [./meep_1.29.0-1.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-1.dsc: unsupported subcommand dpkg-source: info: extracting meep in meep-1.29.0 dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz dpkg-source: info: unpacking meep_1.29.0-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='cb352a3b02e4438e95a6c204c7825bb5' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2341410' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_JlNO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1 --logfile b1/build.log meep_1.29.0-1.dsc' SUDO_GID='111' SUDO_UID='106' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however: Package architecture-is-64-bit is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpsm-infinipath1{a} libpsm2-2{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-pytz{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch shared-mime-info wget xdg-user-dirs 0 packages upgraded, 284 newly installed, 0 to remove and 0 not upgraded. Need to get 241 MB of archives. After unpacking 987 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main amd64 libpython3.13-minimal amd64 3.13.2-1 [859 kB] Get: 2 http://deb.debian.org/debian trixie/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 3 http://deb.debian.org/debian trixie/main amd64 python3.13-minimal amd64 3.13.2-1 [2205 kB] Get: 4 http://deb.debian.org/debian trixie/main amd64 python3-minimal amd64 3.13.2-1 [27.1 kB] Get: 5 http://deb.debian.org/debian trixie/main amd64 media-types all 12.0.0 [28.9 kB] Get: 6 http://deb.debian.org/debian trixie/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main amd64 tzdata all 2025a-2 [259 kB] Get: 8 http://deb.debian.org/debian trixie/main amd64 libffi8 amd64 3.4.7-1 [23.9 kB] Get: 9 http://deb.debian.org/debian trixie/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 10 http://deb.debian.org/debian trixie/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 11 http://deb.debian.org/debian trixie/main amd64 libpython3.13-stdlib amd64 3.13.2-1 [1979 kB] Get: 12 http://deb.debian.org/debian trixie/main amd64 python3.13 amd64 3.13.2-1 [745 kB] Get: 13 http://deb.debian.org/debian trixie/main amd64 libpython3-stdlib amd64 3.13.2-1 [10.0 kB] Get: 14 http://deb.debian.org/debian trixie/main amd64 python3 amd64 3.13.2-1 [28.1 kB] Get: 15 http://deb.debian.org/debian trixie/main amd64 python3-numpy-dev amd64 1:2.2.3+ds-2+b1 [138 kB] Get: 16 http://deb.debian.org/debian trixie/main amd64 libblas3 amd64 3.12.1-2 [160 kB] Get: 17 http://deb.debian.org/debian trixie/main amd64 libgfortran5 amd64 14.2.0-17 [836 kB] Get: 18 http://deb.debian.org/debian trixie/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB] Get: 19 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:2.2.3+ds-2+b1 [5081 kB] Get: 20 http://deb.debian.org/debian trixie/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 21 http://deb.debian.org/debian trixie/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 22 http://deb.debian.org/debian trixie/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 23 http://deb.debian.org/debian trixie/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 24 http://deb.debian.org/debian trixie/main amd64 gettext-base amd64 0.23.1-1 [243 kB] Get: 25 http://deb.debian.org/debian trixie/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 26 http://deb.debian.org/debian trixie/main amd64 groff-base amd64 1.23.0-7 [1185 kB] Get: 27 http://deb.debian.org/debian trixie/main amd64 bsdextrautils amd64 2.40.4-5 [92.4 kB] Get: 28 http://deb.debian.org/debian trixie/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 29 http://deb.debian.org/debian trixie/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 30 http://deb.debian.org/debian trixie/main amd64 architecture-properties amd64 0.2.6 [2336 B] Get: 31 http://deb.debian.org/debian trixie/main amd64 m4 amd64 1.4.19-7 [294 kB] Get: 32 http://deb.debian.org/debian trixie/main amd64 autoconf all 2.72-3 [493 kB] Get: 33 http://deb.debian.org/debian trixie/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 34 http://deb.debian.org/debian trixie/main amd64 automake all 1:1.17-3 [862 kB] Get: 35 http://deb.debian.org/debian trixie/main amd64 autopoint all 0.23.1-1 [770 kB] Get: 36 http://deb.debian.org/debian trixie/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB] Get: 37 http://deb.debian.org/debian trixie/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB] Get: 38 http://deb.debian.org/debian trixie/main amd64 libpng16-16t64 amd64 1.6.47-1 [282 kB] Get: 39 http://deb.debian.org/debian trixie/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 40 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 41 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 42 http://deb.debian.org/debian trixie/main amd64 fontconfig-config amd64 2.15.0-2 [317 kB] Get: 43 http://deb.debian.org/debian trixie/main amd64 libfontconfig1 amd64 2.15.0-2 [391 kB] Get: 44 http://deb.debian.org/debian trixie/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 45 http://deb.debian.org/debian trixie/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 46 http://deb.debian.org/debian trixie/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 47 http://deb.debian.org/debian trixie/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 48 http://deb.debian.org/debian trixie/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 49 http://deb.debian.org/debian trixie/main amd64 libxrender1 amd64 1:0.9.10-1.1+b4 [27.8 kB] Get: 50 http://deb.debian.org/debian trixie/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB] Get: 51 http://deb.debian.org/debian trixie/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB] Get: 52 http://deb.debian.org/debian trixie/main amd64 x11-common all 1:7.7+24 [217 kB] Get: 53 http://deb.debian.org/debian trixie/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB] Get: 54 http://deb.debian.org/debian trixie/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB] Get: 55 http://deb.debian.org/debian trixie/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-8 [591 kB] Get: 56 http://deb.debian.org/debian trixie/main amd64 blt amd64 2.5.3+dfsg-8 [5984 B] Get: 57 http://deb.debian.org/debian trixie/main amd64 chrpath amd64 0.18-1 [13.5 kB] Get: 58 http://deb.debian.org/debian trixie/main amd64 libcom-err2 amd64 1.47.2-1 [24.0 kB] Get: 59 http://deb.debian.org/debian trixie/main amd64 comerr-dev amd64 2.1-1.47.2-1 [55.7 kB] Get: 60 http://deb.debian.org/debian trixie/main amd64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 61 http://deb.debian.org/debian trixie/main amd64 libtool all 2.5.4-4 [539 kB] Get: 62 http://deb.debian.org/debian trixie/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 66 http://deb.debian.org/debian trixie/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 67 http://deb.debian.org/debian trixie/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 68 http://deb.debian.org/debian trixie/main amd64 libunistring5 amd64 1.3-1 [476 kB] Get: 69 http://deb.debian.org/debian trixie/main amd64 libicu72 amd64 72.1-6 [9421 kB] Get: 70 http://deb.debian.org/debian trixie/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b2 [699 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 gettext amd64 0.23.1-1 [1680 kB] Get: 72 http://deb.debian.org/debian trixie/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian trixie/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian trixie/main amd64 debhelper all 13.24.1 [920 kB] Get: 75 http://deb.debian.org/debian trixie/main amd64 diffstat amd64 1.67-1 [35.5 kB] Get: 76 http://deb.debian.org/debian trixie/main amd64 ed amd64 1.21-1 [61.4 kB] Get: 77 http://deb.debian.org/debian trixie/main amd64 fonts-lyx all 2.4.3-1 [190 kB] Get: 78 http://deb.debian.org/debian trixie/main amd64 libgfortran-14-dev amd64 14.2.0-17 [879 kB] Get: 79 http://deb.debian.org/debian trixie/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-17 [11.7 MB] Get: 80 http://deb.debian.org/debian trixie/main amd64 gfortran-14 amd64 14.2.0-17 [14.0 kB] Get: 81 http://deb.debian.org/debian trixie/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.2.0-1 [1284 B] Get: 82 http://deb.debian.org/debian trixie/main amd64 gfortran amd64 4:14.2.0-1 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main amd64 libgc1 amd64 1:8.2.8-1 [247 kB] Get: 84 http://deb.debian.org/debian trixie/main amd64 guile-3.0-libs amd64 3.0.10+really3.0.10-4 [6877 kB] Get: 85 http://deb.debian.org/debian trixie/main amd64 guile-3.0 amd64 3.0.10+really3.0.10-4 [22.7 kB] Get: 86 http://deb.debian.org/debian trixie/main amd64 libncurses6 amd64 6.5+20250216-1 [105 kB] Get: 87 http://deb.debian.org/debian trixie/main amd64 libncurses-dev amd64 6.5+20250216-1 [353 kB] Get: 88 http://deb.debian.org/debian trixie/main amd64 libreadline-dev amd64 8.2-6 [153 kB] Get: 89 http://deb.debian.org/debian trixie/main amd64 libltdl7 amd64 2.5.4-4 [416 kB] Get: 90 http://deb.debian.org/debian trixie/main amd64 libltdl-dev amd64 2.5.4-4 [168 kB] Get: 91 http://deb.debian.org/debian trixie/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-3 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-3 [642 kB] Get: 93 http://deb.debian.org/debian trixie/main amd64 libgc-dev amd64 1:8.2.8-1 [416 kB] Get: 94 http://deb.debian.org/debian trixie/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB] Get: 95 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 96 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 97 http://deb.debian.org/debian trixie/main amd64 guile-3.0-dev amd64 3.0.10+really3.0.10-4 [151 kB] Get: 98 http://deb.debian.org/debian trixie/main amd64 hdf5-helpers amd64 1.14.5+repack-3 [26.6 kB] Get: 99 http://deb.debian.org/debian trixie/main amd64 libnl-3-200 amd64 3.7.0-0.3+b1 [59.4 kB] Get: 100 http://deb.debian.org/debian trixie/main amd64 libnl-route-3-200 amd64 3.7.0-0.3+b1 [182 kB] Get: 101 http://deb.debian.org/debian trixie/main amd64 libibverbs1 amd64 55.0-1 [62.2 kB] Get: 102 http://deb.debian.org/debian trixie/main amd64 ibverbs-providers amd64 55.0-1 [351 kB] Get: 103 http://deb.debian.org/debian trixie/main amd64 libkrb5support0 amd64 1.21.3-4 [32.8 kB] Get: 104 http://deb.debian.org/debian trixie/main amd64 libk5crypto3 amd64 1.21.3-4 [80.9 kB] Get: 105 http://deb.debian.org/debian trixie/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 106 http://deb.debian.org/debian trixie/main amd64 libkrb5-3 amd64 1.21.3-4 [326 kB] Get: 107 http://deb.debian.org/debian trixie/main amd64 libgssapi-krb5-2 amd64 1.21.3-4 [138 kB] Get: 108 http://deb.debian.org/debian trixie/main amd64 libgssrpc4t64 amd64 1.21.3-4 [60.0 kB] Get: 109 http://deb.debian.org/debian trixie/main amd64 libkadm5clnt-mit12 amd64 1.21.3-4 [42.2 kB] Get: 110 http://deb.debian.org/debian trixie/main amd64 libkdb5-10t64 amd64 1.21.3-4 [42.4 kB] Get: 111 http://deb.debian.org/debian trixie/main amd64 libkadm5srv-mit12 amd64 1.21.3-4 [54.2 kB] Get: 112 http://deb.debian.org/debian trixie/main amd64 krb5-multidev amd64 1.21.3-4 [126 kB] Get: 113 http://deb.debian.org/debian trixie/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB] Get: 114 http://deb.debian.org/debian trixie/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B] Get: 115 http://deb.debian.org/debian trixie/main amd64 libaec-dev amd64 1.1.3-1+b1 [21.5 kB] Get: 116 http://deb.debian.org/debian trixie/main amd64 libedit2 amd64 3.1-20250104-1 [93.8 kB] Get: 117 http://deb.debian.org/debian trixie/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 118 http://deb.debian.org/debian trixie/main amd64 libllvm17t64 amd64 1:17.0.6-21 [23.6 MB] Get: 119 http://deb.debian.org/debian trixie/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get: 120 http://deb.debian.org/debian trixie/main amd64 libdrm-common all 2.4.124-1 [8180 B] Get: 121 http://deb.debian.org/debian trixie/main amd64 libdrm2 amd64 2.4.124-1 [38.9 kB] Get: 122 http://deb.debian.org/debian trixie/main amd64 libdrm-amdgpu1 amd64 2.4.124-1 [22.4 kB] Get: 123 http://deb.debian.org/debian trixie/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB] Get: 124 http://deb.debian.org/debian trixie/main amd64 libhsakmt1 amd64 6.2.4+ds-1 [61.1 kB] Get: 125 http://deb.debian.org/debian trixie/main amd64 libhsa-runtime64-1 amd64 6.1.2-3 [535 kB] Get: 126 http://deb.debian.org/debian trixie/main amd64 libamdhip64-5 amd64 5.7.1-5+b1 [8882 kB] Get: 127 http://deb.debian.org/debian trixie/main amd64 libblas-dev amd64 3.12.1-2 [170 kB] Get: 128 http://deb.debian.org/debian trixie/main amd64 libbrotli-dev amd64 1.1.0-2+b7 [316 kB] Get: 129 http://deb.debian.org/debian trixie/main amd64 libctl7t64 amd64 4.5.1-3 [111 kB] Get: 130 http://deb.debian.org/debian trixie/main amd64 libctl-dev amd64 4.5.1-3 [105 kB] Get: 131 http://deb.debian.org/debian trixie/main amd64 libidn2-0 amd64 2.3.7-2+b1 [129 kB] Get: 132 http://deb.debian.org/debian trixie/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-9 [19.8 kB] Get: 133 http://deb.debian.org/debian trixie/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-9 [57.5 kB] Get: 134 http://deb.debian.org/debian trixie/main amd64 libldap2 amd64 2.6.9+dfsg-1 [192 kB] Get: 135 http://deb.debian.org/debian trixie/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 136 http://deb.debian.org/debian trixie/main amd64 libnghttp3-9 amd64 1.8.0-1 [67.7 kB] Get: 137 http://deb.debian.org/debian trixie/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 138 http://deb.debian.org/debian trixie/main amd64 libp11-kit0 amd64 0.25.5-3 [425 kB] Get: 139 http://deb.debian.org/debian trixie/main amd64 libtasn1-6 amd64 4.20.0-2 [49.9 kB] Get: 140 http://deb.debian.org/debian trixie/main amd64 libgnutls30t64 amd64 3.8.9-2 [1464 kB] Get: 141 http://deb.debian.org/debian trixie/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 142 http://deb.debian.org/debian trixie/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 143 http://deb.debian.org/debian trixie/main amd64 libcurl4t64 amd64 8.12.1-3 [369 kB] Get: 144 http://deb.debian.org/debian trixie/main amd64 libidn2-dev amd64 2.3.7-2+b1 [123 kB] Get: 145 http://deb.debian.org/debian trixie/main amd64 libkrb5-dev amd64 1.21.3-4 [15.9 kB] Get: 146 http://deb.debian.org/debian trixie/main amd64 libldap-dev amd64 2.6.9+dfsg-1 [307 kB] Get: 147 http://deb.debian.org/debian trixie/main amd64 libnghttp2-dev amd64 1.64.0-1 [115 kB] Get: 148 http://deb.debian.org/debian trixie/main amd64 libnghttp3-dev amd64 1.8.0-1 [91.3 kB] Get: 149 http://deb.debian.org/debian trixie/main amd64 libpsl-dev amd64 0.21.2-1.1+b1 [77.6 kB] Get: 150 http://deb.debian.org/debian trixie/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10+b1 [182 kB] Get: 151 http://deb.debian.org/debian trixie/main amd64 libunbound8 amd64 1.22.0-1+b1 [598 kB] Get: 152 http://deb.debian.org/debian trixie/main amd64 libgnutls-dane0t64 amd64 3.8.9-2 [455 kB] Get: 153 http://deb.debian.org/debian trixie/main amd64 libgnutls-openssl27t64 amd64 3.8.9-2 [455 kB] Get: 154 http://deb.debian.org/debian trixie/main amd64 libp11-kit-dev amd64 0.25.5-3 [208 kB] Get: 155 http://deb.debian.org/debian trixie/main amd64 libtasn1-6-dev amd64 4.20.0-2 [99.2 kB] Get: 156 http://deb.debian.org/debian trixie/main amd64 nettle-dev amd64 3.10.1-1 [1318 kB] Get: 157 http://deb.debian.org/debian trixie/main amd64 libgnutls28-dev amd64 3.8.9-2 [1401 kB] Get: 158 http://deb.debian.org/debian trixie/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get: 159 http://deb.debian.org/debian trixie/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b5 [68.0 kB] Get: 160 http://deb.debian.org/debian trixie/main amd64 libssl-dev amd64 3.4.1-1 [2787 kB] Get: 161 http://deb.debian.org/debian trixie/main amd64 libssh2-1-dev amd64 1.11.1-1 [393 kB] Get: 162 http://deb.debian.org/debian trixie/main amd64 libzstd-dev amd64 1.5.6+dfsg-2 [365 kB] Get: 163 http://deb.debian.org/debian trixie/main amd64 libcurl4-openssl-dev amd64 8.12.1-3 [483 kB] Get: 164 http://deb.debian.org/debian trixie/main amd64 libdeflate0 amd64 1.23-1+b1 [47.5 kB] Get: 165 http://deb.debian.org/debian trixie/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get: 166 http://deb.debian.org/debian trixie/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get: 167 http://deb.debian.org/debian trixie/main amd64 libexpat1-dev amd64 2.6.4-1 [158 kB] Get: 168 http://deb.debian.org/debian trixie/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 169 http://deb.debian.org/debian trixie/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 170 http://deb.debian.org/debian trixie/main amd64 librdmacm1t64 amd64 55.0-1 [70.2 kB] Get: 171 http://deb.debian.org/debian trixie/main amd64 libfabric1 amd64 1.17.0-3.1 [631 kB] Get: 172 http://deb.debian.org/debian trixie/main amd64 libfftw3-double3 amd64 3.3.10-2+b1 [781 kB] Get: 173 http://deb.debian.org/debian trixie/main amd64 libfftw3-long3 amd64 3.3.10-2+b1 [347 kB] Get: 174 http://deb.debian.org/debian trixie/main amd64 libfftw3-quad3 amd64 3.3.10-2+b1 [618 kB] Get: 175 http://deb.debian.org/debian trixie/main amd64 libfftw3-single3 amd64 3.3.10-2+b1 [809 kB] Get: 176 http://deb.debian.org/debian trixie/main amd64 libfftw3-bin amd64 3.3.10-2+b1 [51.3 kB] Get: 177 http://deb.debian.org/debian trixie/main amd64 libfftw3-dev amd64 3.3.10-2+b1 [2118 kB] Get: 178 http://deb.debian.org/debian trixie/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get: 179 http://deb.debian.org/debian trixie/main amd64 libgpg-error0 amd64 1.51-3 [82.2 kB] Get: 180 http://deb.debian.org/debian trixie/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB] Get: 181 http://deb.debian.org/debian trixie/main amd64 libgdsii0 amd64 0.2+ds.1-1+b2 [31.9 kB] Get: 182 http://deb.debian.org/debian trixie/main amd64 libgdsii-dev amd64 0.2+ds.1-1+b2 [36.2 kB] Get: 183 http://deb.debian.org/debian trixie/main amd64 libglib2.0-0t64 amd64 2.83.4-1 [1512 kB] Get: 184 http://deb.debian.org/debian trixie/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 185 http://deb.debian.org/debian trixie/main amd64 libgslcblas0 amd64 2.8+dfsg-5 [116 kB] Get: 186 http://deb.debian.org/debian trixie/main amd64 libgsl28 amd64 2.8+dfsg-5 [994 kB] Get: 187 http://deb.debian.org/debian trixie/main amd64 libgsl-dev amd64 2.8+dfsg-5 [1222 kB] Get: 188 http://deb.debian.org/debian trixie/main amd64 libharfbuzz0b amd64 10.2.0-1 [479 kB] Get: 189 http://deb.debian.org/debian trixie/main amd64 libharminv3 amd64 1.4.2-1 [18.0 kB] Get: 190 http://deb.debian.org/debian trixie/main amd64 libharminv-dev amd64 1.4.2-1 [15.8 kB] Get: 191 http://deb.debian.org/debian trixie/main amd64 libhdf5-310 amd64 1.14.5+repack-3 [1344 kB] Get: 192 http://deb.debian.org/debian trixie/main amd64 libhdf5-cpp-310 amd64 1.14.5+repack-3 [133 kB] Get: 193 http://deb.debian.org/debian trixie/main amd64 libhdf5-fortran-310 amd64 1.14.5+repack-3 [111 kB] Get: 194 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [69.3 kB] Get: 195 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-fortran-310 amd64 1.14.5+repack-3 [43.9 kB] Get: 196 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-cpp-310 amd64 1.14.5+repack-3 [24.4 kB] Get: 197 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB] Get: 198 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3.1 [292 kB] Get: 199 http://deb.debian.org/debian trixie/main amd64 libjpeg-dev amd64 1:2.1.5-3.1 [72.0 kB] Get: 200 http://deb.debian.org/debian trixie/main amd64 libhdf5-dev amd64 1.14.5+repack-3 [3165 kB] Get: 201 http://deb.debian.org/debian trixie/main amd64 libhwloc15 amd64 2.12.0-1 [164 kB] Get: 202 http://deb.debian.org/debian trixie/main amd64 libmunge2 amd64 0.5.16-1 [19.7 kB] Get: 203 http://deb.debian.org/debian trixie/main amd64 libpciaccess0 amd64 0.17-3+b3 [51.9 kB] Get: 204 http://deb.debian.org/debian trixie/main amd64 libxnvctrl0 amd64 535.171.04-1+b2 [14.2 kB] Get: 205 http://deb.debian.org/debian trixie/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB] Get: 206 http://deb.debian.org/debian trixie/main amd64 libhwloc-plugins amd64 2.12.0-1 [18.1 kB] Get: 207 http://deb.debian.org/debian trixie/main amd64 libpmix2t64 amd64 5.0.6-5 [651 kB] Get: 208 http://deb.debian.org/debian trixie/main amd64 libibumad3 amd64 55.0-1 [28.5 kB] Get: 209 http://deb.debian.org/debian trixie/main amd64 libibmad5 amd64 55.0-1 [43.3 kB] Get: 210 http://deb.debian.org/debian trixie/main amd64 libucx0 amd64 1.18.1+ds-1 [1197 kB] Get: 211 http://deb.debian.org/debian trixie/main amd64 libopenmpi40 amd64 5.0.7-1 [2365 kB] Get: 212 http://deb.debian.org/debian trixie/main amd64 libhdf5-openmpi-310 amd64 1.14.5+repack-3 [1395 kB] Get: 213 http://deb.debian.org/debian trixie/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 214 http://deb.debian.org/debian trixie/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 215 http://deb.debian.org/debian trixie/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 216 http://deb.debian.org/debian trixie/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 217 http://deb.debian.org/debian trixie/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 218 http://deb.debian.org/debian trixie/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 219 http://deb.debian.org/debian trixie/main amd64 liblapack-dev amd64 3.12.1-2 [4998 kB] Get: 220 http://deb.debian.org/debian trixie/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b2 [29.4 kB] Get: 221 http://deb.debian.org/debian trixie/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get: 222 http://deb.debian.org/debian trixie/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 223 http://deb.debian.org/debian trixie/main amd64 liblzf1 amd64 3.6-4+b3 [10.1 kB] Get: 224 http://deb.debian.org/debian trixie/main amd64 libopenjp2-7 amd64 2.5.3-1 [204 kB] Get: 225 http://deb.debian.org/debian trixie/main amd64 libpython3.13 amd64 3.13.2-1 [2151 kB] Get: 226 http://deb.debian.org/debian trixie/main amd64 libpython3.13-dev amd64 3.13.2-1 [5005 kB] Get: 227 http://deb.debian.org/debian trixie/main amd64 libpython3-dev amd64 3.13.2-1 [10.3 kB] Get: 228 http://deb.debian.org/debian trixie/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get: 229 http://deb.debian.org/debian trixie/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get: 230 http://deb.debian.org/debian trixie/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB] Get: 231 http://deb.debian.org/debian trixie/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB] Get: 232 http://deb.debian.org/debian trixie/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 233 http://deb.debian.org/debian trixie/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB] Get: 234 http://deb.debian.org/debian trixie/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB] Get: 235 http://deb.debian.org/debian trixie/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 236 http://deb.debian.org/debian trixie/main amd64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 237 http://deb.debian.org/debian trixie/main amd64 mpb amd64 1.11.1-6+b2 [218 kB] Get: 238 http://deb.debian.org/debian trixie/main amd64 mpb-dev amd64 1.11.1-6+b2 [8448 B] Get: 239 http://deb.debian.org/debian trixie/main amd64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 240 http://deb.debian.org/debian trixie/main amd64 python3-attr all 25.1.0-1 [68.7 kB] Get: 241 http://deb.debian.org/debian trixie/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 242 http://deb.debian.org/debian trixie/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB] Get: 243 http://deb.debian.org/debian trixie/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB] Get: 244 http://deb.debian.org/debian trixie/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 245 http://deb.debian.org/debian trixie/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 246 http://deb.debian.org/debian trixie/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 247 http://deb.debian.org/debian trixie/main amd64 python3.13-dev amd64 3.13.2-1 [507 kB] Get: 248 http://deb.debian.org/debian trixie/main amd64 python3-dev amd64 3.13.2-1 [26.1 kB] Get: 249 http://deb.debian.org/debian trixie/main amd64 python3-pytz all 2025.1-3 [150 kB] Get: 250 http://deb.debian.org/debian trixie/main amd64 python3-tz all 2025.1-3 [4004 B] Get: 251 http://deb.debian.org/debian trixie/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 252 http://deb.debian.org/debian trixie/main amd64 python3-fs all 2.4.16-6 [95.1 kB] Get: 253 http://deb.debian.org/debian trixie/main amd64 python3-lxml amd64 5.3.1-1+b1 [1288 kB] Get: 254 http://deb.debian.org/debian trixie/main amd64 python3-lz4 amd64 4.4.0+dfsg-1+b1 [25.5 kB] Get: 255 http://deb.debian.org/debian trixie/main amd64 python3-scipy amd64 1.14.1-4+b1 [17.1 MB] Get: 256 http://deb.debian.org/debian trixie/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 257 http://deb.debian.org/debian trixie/main amd64 python3-sympy all 1.13.3-5 [4148 kB] Get: 258 http://deb.debian.org/debian trixie/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 259 http://deb.debian.org/debian trixie/main amd64 python3-unicodedata2 amd64 15.1.0+ds-1+b4 [299 kB] Get: 260 http://deb.debian.org/debian trixie/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 261 http://deb.debian.org/debian trixie/main amd64 python3-fonttools amd64 4.55.3-2+b1 [1448 kB] Get: 262 http://deb.debian.org/debian trixie/main amd64 python3-h5py-serial amd64 3.13.0-1+b1 [1065 kB] Get: 263 http://deb.debian.org/debian trixie/main amd64 python3-h5py all 3.13.0-1 [15.0 kB] Get: 264 http://deb.debian.org/debian trixie/main amd64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 265 http://deb.debian.org/debian trixie/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 266 http://deb.debian.org/debian trixie/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 267 http://deb.debian.org/debian trixie/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 268 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 269 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 270 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 271 http://deb.debian.org/debian trixie/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 272 http://deb.debian.org/debian trixie/main amd64 python3-setuptools all 75.8.0-1 [724 kB] Get: 273 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B] Get: 274 http://deb.debian.org/debian trixie/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB] Get: 275 http://deb.debian.org/debian trixie/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB] Get: 276 http://deb.debian.org/debian trixie/main amd64 python3.12-tk amd64 3.12.9-1 [113 kB] Get: 277 http://deb.debian.org/debian trixie/main amd64 python3.13-tk amd64 3.13.2-1 [103 kB] Get: 278 http://deb.debian.org/debian trixie/main amd64 python3-tk amd64 3.13.1-1+b1 [9760 B] Get: 279 http://deb.debian.org/debian trixie/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB] Get: 280 http://deb.debian.org/debian trixie/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 281 http://deb.debian.org/debian trixie/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 282 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 283 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB] Get: 284 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB] Fetched 241 MB in 4s (62.2 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../libpython3.13-minimal_3.13.2-1_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.2-1) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../python3.13-minimal_3.13.2-1_amd64.deb ... Unpacking python3.13-minimal (3.13.2-1) ... Setting up libpython3.13-minimal:amd64 (3.13.2-1) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.13-minimal (3.13.2-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20134 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.13.2-1_amd64.deb ... Unpacking python3-minimal (3.13.2-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_12.0.0_all.deb ... Unpacking media-types (12.0.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2025a-2_all.deb ... Unpacking tzdata (2025a-2) ... Selecting previously unselected package libffi8:amd64. Preparing to unpack .../4-libffi8_3.4.7-1_amd64.deb ... Unpacking libffi8:amd64 (3.4.7-1) ... Selecting previously unselected package readline-common. Preparing to unpack .../5-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../6-libreadline8t64_8.2-6_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-6) ... Selecting previously unselected package libpython3.13-stdlib:amd64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3.13-stdlib:amd64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_amd64.deb ... Unpacking python3.13 (3.13.2-1) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../9-libpython3-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.13.2-1) ... Setting up python3-minimal (3.13.2-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21144 files and directories currently installed.) Preparing to unpack .../000-python3_3.13.2-1_amd64.deb ... Unpacking python3 (3.13.2-1) ... Selecting previously unselected package python3-numpy-dev:amd64. Preparing to unpack .../001-python3-numpy-dev_1%3a2.2.3+ds-2+b1_amd64.deb ... Unpacking python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... Selecting previously unselected package libblas3:amd64. Preparing to unpack .../002-libblas3_3.12.1-2_amd64.deb ... Unpacking libblas3:amd64 (3.12.1-2) ... Selecting previously unselected package libgfortran5:amd64. Preparing to unpack .../003-libgfortran5_14.2.0-17_amd64.deb ... Unpacking libgfortran5:amd64 (14.2.0-17) ... Selecting previously unselected package liblapack3:amd64. Preparing to unpack .../004-liblapack3_3.12.1-2_amd64.deb ... Unpacking liblapack3:amd64 (3.12.1-2) ... Selecting previously unselected package python3-numpy. Preparing to unpack .../005-python3-numpy_1%3a2.2.3+ds-2+b1_amd64.deb ... Unpacking python3-numpy (1:2.2.3+ds-2+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../006-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... 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Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-9) ... Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' Local time is now: Sun Apr 12 13:06:33 UTC 2026. Universal Time is now: Sun Apr 12 13:06:33 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.13.3-1) ... Setting up libblas3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libunbound8:amd64 (1.22.0-1+b1) ... Setting up libpkgconf3:amd64 (1.8.1-4) ... Setting up libgmpxx4ldbl:amd64 (2:6.3.0+dfsg-3) ... Setting up libmunge2:amd64 (0.5.16-1) ... Setting up libexpat1-dev:amd64 (2.6.4-1) ... Setting up libjpeg62-turbo:amd64 (1:2.1.5-3.1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libjpeg62-turbo-dev:amd64 (1:2.1.5-3.1) ... Setting up ed (1.21-1) ... Setting up libncurses6:amd64 (6.5+20250216-1) ... Setting up liblzf1:amd64 (3.6-4+b3) ... Setting up libfftw3-quad3:amd64 (3.3.10-2+b1) ... Setting up libfribidi0:amd64 (1.0.16-1) ... Setting up diffstat (1.67-1) ... Setting up libimagequant0:amd64 (2.18.0-1+b2) ... Setting up comerr-dev:amd64 (2.1-1.47.2-1) ... Setting up libunistring5:amd64 (1.3-1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:amd64 (3.4.1-1) ... Setting up libpng16-16t64:amd64 (1.6.47-1) ... Setting up libhwloc15:amd64 (2.12.0-1) ... Setting up python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ... Setting up autopoint (0.23.1-1) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:amd64 (1.21.3-4) ... Setting up libgc1:amd64 (1:8.2.8-1) ... Setting up libltdl7:amd64 (2.5.4-4) ... Setting up libfftw3-double3:amd64 (3.3.10-2+b1) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-9) ... Setting up libgfortran5:amd64 (14.2.0-17) ... Setting up autoconf (2.72-3) ... Setting up libnghttp3-9:amd64 (1.8.0-1) ... Setting up libwebp7:amd64 (1.5.0-0.1) ... Setting up libnghttp3-dev:amd64 (1.8.0-1) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libffi8:amd64 (3.4.7-1) ... Setting up libnuma1:amd64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ... Setting up libtiff6:amd64 (4.5.1+git230720-5) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... Setting up libnl-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up libtasn1-6:amd64 (4.20.0-2) ... Setting up libopenjp2-7:amd64 (2.5.3-1) ... Setting up libx11-6:amd64 (2:1.8.10-2) ... Setting up netbase (6.4) ... Setting up libkrb5-3:amd64 (1.21.3-4) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libssh2-1t64:amd64 (1.11.1-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:amd64 (2.8+dfsg-5) ... Setting up python-matplotlib-data (3.8.3-7) ... Setting up libgc-dev:amd64 (1:8.2.8-1) ... Setting up libtasn1-6-dev:amd64 (4.20.0-2) ... Setting up libwebpmux3:amd64 (1.5.0-0.1) ... Setting up libgdsii0:amd64 (0.2+ds.1-1+b2) ... Setting up libdrm-common (2.4.124-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.2+b2) ... Setting up libldap2:amd64 (2.6.9+dfsg-1) ... Setting up libbrotli-dev:amd64 (1.1.0-2+b7) ... Setting up chrpath (0.18-1) ... Setting up libblas-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsz2:amd64 (1.1.3-1+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:amd64 (14.2.0-17) ... Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up liblapack3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libncurses-dev:amd64 (6.5+20250216-1) ... Setting up gettext (0.23.1-1) ... Setting up libgsl-dev (2.8+dfsg-5) ... Setting up libgmp-dev:amd64 (2:6.3.0+dfsg-3) ... Setting up nettle-dev:amd64 (3.10.1-1) ... Setting up libxrender1:amd64 (1:0.9.10-1.1+b4) ... Setting up libtool (2.5.4-4) ... Setting up libfftw3-bin (3.3.10-2+b1) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-2) ... Setting up libgdsii-dev:amd64 (0.2+ds.1-1+b2) ... Setting up libwebpdemux2:amd64 (1.5.0-0.1) ... Setting up libaec-dev:amd64 (1.1.3-1+b1) ... Setting up libjpeg-dev:amd64 (1:2.1.5-3.1) ... Setting up libxext6:amd64 (2:1.3.4-1+b3) ... Setting up quilt (0.68-1) ... Setting up libidn2-0:amd64 (2.3.7-2+b1) ... Setting up gfortran-14-x86-64-linux-gnu (14.2.0-17) ... Setting up pkgconf:amd64 (1.8.1-4) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:amd64 (535.171.04-1+b2) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:amd64 (2.5.4-4) ... Setting up libglib2.0-0t64:amd64 (2.83.4-1) ... No schema files found: doing nothing. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-21) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libldap-dev:amd64 (2.6.9+dfsg-1) ... Setting up libp11-kit0:amd64 (0.25.5-3) ... Setting up liblapack-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.21.3-4) ... Setting up libssh2-1-dev:amd64 (1.11.1-1) ... Setting up libidn2-dev:amd64 (2.3.7-2+b1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:amd64 (2.4.124-1) ... Setting up groff-base (1.23.0-7) ... Setting up libxslt1.1:amd64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:amd64 (10.2.0-1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:amd64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:amd64 (2.15.0-2) ... Setting up gfortran-14 (14.2.0-17) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libpython3.13-stdlib:amd64 (3.13.2-1) ... Setting up libfftw3-dev:amd64 (3.3.10-2+b1) ... Setting up libp11-kit-dev:amd64 (0.25.5-3) ... Setting up libpython3-stdlib:amd64 (3.13.2-1) ... Setting up liblbfgsb0:amd64 (3.0+dfsg.4-1+b2) ... Setting up libdrm-amdgpu1:amd64 (2.4.124-1) ... Setting up libpython3.13:amd64 (3.13.2-1) ... Setting up libgnutls30t64:amd64 (3.8.9-2) ... Setting up libgnutls-openssl27t64:amd64 (3.8.9-2) ... Setting up libnghttp2-dev:amd64 (1.64.0-1) ... Setting up libibverbs1:amd64 (55.0-1) ... Setting up libxft2:amd64 (2.3.6-1+b4) ... Setting up ibverbs-providers:amd64 (55.0-1) ... Setting up python3.13 (3.13.2-1) ... Setting up guile-3.0-libs:amd64 (3.0.10+really3.0.10-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up libpsl5t64:amd64 (0.21.2-1.1+b1) ... Setting up libctl7t64:amd64 (4.5.1-3) ... Setting up python3 (3.13.2-1) ... Setting up libreadline-dev:amd64 (8.2-6) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:amd64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran-x86-64-linux-gnu (4:14.2.0-1) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.2-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up libpsl-dev:amd64 (0.21.2-1.1+b1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up libgnutls-dane0t64:amd64 (3.8.9-2) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libgssrpc4t64:amd64 (1.21.3-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up libpython3.13-dev:amd64 (3.13.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libpmix2t64:amd64 (5.0.6-5) ... Setting up python3-numpy (1:2.2.3+ds-2+b1) ... Setting up python3-lxml:amd64 (5.3.1-1+b1) ... Setting up librdmacm1t64:amd64 (55.0-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up guile-3.0 (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:amd64 (6.2.4+ds-1) ... Setting up libkadm5clnt-mit12:amd64 (1.21.3-4) ... Setting up libgnutls28-dev:amd64 (3.8.9-2) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up libfabric1:amd64 (1.17.0-3.1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-8) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up libpython3-dev:amd64 (3.13.2-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up libcurl4t64:amd64 (8.12.1-3) ... Setting up libkdb5-10t64:amd64 (1.21.3-4) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3.13-dev (3.13.2-1) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b4) ... Setting up blt (2.5.3+dfsg-8) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-tk:amd64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:amd64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.13.2-1) ... Setting up librtmp-dev:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libhdf5-310:amd64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-3) ... Setting up libkadm5srv-mit12:amd64 (1.21.3-4) ... Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-fortran-310:amd64 (1.14.5+repack-3) ... Setting up krb5-multidev:amd64 (1.21.3-4) ... Setting up libhdf5-cpp-310:amd64 (1.14.5+repack-3) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up libctl-dev:amd64 (4.5.1-3) ... Setting up libkrb5-dev:amd64 (1.21.3-4) ... Setting up libamdhip64-5 (5.7.1-5+b1) ... Setting up libcurl4-openssl-dev:amd64 (8.12.1-3) ... Setting up python3-h5py (3.13.0-1) ... Setting up libhdf5-hl-cpp-310:amd64 (1.14.5+repack-3) ... Setting up libhdf5-hl-fortran-310:amd64 (1.14.5+repack-3) ... Setting up libucx0:amd64 (1.18.1+ds-1) ... Setting up libhdf5-dev (1.14.5+repack-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libopenmpi40:amd64 (5.0.7-1) ... Setting up libhdf5-openmpi-310:amd64 (1.14.5+repack-3) ... Setting up mpb (1.11.1-6+b2) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Processing triggers for libc-bin (2.40-7) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:236: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "amd64" = "i386" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether sleep supports fractional seconds... yes checking filesystem timestamp resolution... 0.01 checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking xargs -n works... yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for x86_64-linux-gnu-gcc... x86_64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether x86_64-linux-gnu-gcc accepts -g... yes checking for x86_64-linux-gnu-gcc option to enable C11 features... none needed checking whether x86_64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of x86_64-linux-gnu-gcc... none checking for x86_64-linux-gnu-g++... x86_64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether x86_64-linux-gnu-g++ accepts -g... yes checking for x86_64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of x86_64-linux-gnu-g++... none checking whether x86_64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... x86_64-pc-linux-gnu checking host system type... x86_64-pc-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by x86_64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/x86_64-linux-gnu-nm -B checking the name lister (/usr/bin/x86_64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert x86_64-pc-linux-gnu file names to x86_64-pc-linux-gnu format... func_convert_file_noop checking how to convert x86_64-pc-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for file... file checking for x86_64-linux-gnu-objdump... x86_64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for x86_64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for x86_64-linux-gnu-ranlib... x86_64-linux-gnu-ranlib checking for x86_64-linux-gnu-ar... x86_64-linux-gnu-ar checking for archiver @FILE support... @ checking for x86_64-linux-gnu-strip... x86_64-linux-gnu-strip checking command to parse /usr/bin/x86_64-linux-gnu-nm -B output from x86_64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for x86_64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if x86_64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for x86_64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-gcc static flag -static works... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-gcc linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking whether -lc should be explicitly linked in... no checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking how to run the C++ preprocessor... x86_64-linux-gnu-g++ -E checking for ld used by x86_64-linux-gnu-g++... /usr/bin/ld -m elf_x86_64 checking if the linker (/usr/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking for x86_64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-g++ PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-g++ static flag -static works... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for x86_64-linux-gnu-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl_intel_lp64... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... no checking for sys/time.h... yes checking for immintrin.h... yes checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python3... /usr/bin/python3 checking for python version... 3.13 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.13/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.13/site-packages checking for Python include directory... /usr/include/python3.13 checking for Python.h... yes checking for Numpy include directory... /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build make -j42 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. 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-ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 81 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); | ^~ step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); | ^~~ step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; | ^~~ meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] 120 | switch (d) { | ^~~~~~ boundaries.cpp:128:5: note: here 128 | case D3: | ^~~~ In file included from fields.cpp:25: meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] 2255 | timing_scope working_on; | ^~~~~~~~~~ meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] 1744 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:32:1: warning: when initialized here [-Wreorder] 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, | ^~~~~~ step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; | ^~~ meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] 1506 | double beta; | ^~~~ meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] 1505 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:242:1: warning: when initialized here [-Wreorder] 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, | ^~~~~~~~~~~~ step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && x86_64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a") libtool: link: x86_64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 817 (offset 66 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36083 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36148 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36209 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare] 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: x86_64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1644: Warning 362: operator= ignored ../src/meep.hpp:1644: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.29.0'" >> __init__.py if [[ "4.3.0" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.3.0" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7530 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7532 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7576 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter] 7577 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7590 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter] 25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter] 126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter] 126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter] 126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter] 126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter] 126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter] 126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter] 126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' echo amd64 amd64 if [ "amd64" = "armel" ] || \ [ "amd64" = "riscv64" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time 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-L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py FAIL: tests/test_mode_decomposition.py PASS: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py FAIL: tests/test_pml_cyl.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py PASS: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_verbosity_mgr.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log for debugging. ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: *** [Makefile:1254: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: *** [Makefile:1318: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: *** [Makefile:1320: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . ./src ./src/meepgeom.cpp ./src/libmeep.la ./src/output_directory.lo ./src/casimir.o ./src/multilevel-atom.cpp ./src/h5fields.o ./src/structure.lo ./src/material_data.hpp ./src/vec.lo ./src/GDSIIgeom.o ./src/random.o ./src/step.o ./src/fields_dump.o ./src/time.o ./src/h5file.o ./src/sphere-quad.cpp ./src/update_pols.lo ./src/initialize.cpp ./src/fix_boundary_sources.o ./src/susceptibility.o ./src/material_data.o ./src/meepgeom.o ./src/stress.o ./src/dft_ldos.cpp 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./doc/docs/Scheme_Tutorials/Multilevel_Atomic_Susceptibility.md ./doc/docs/Scheme_Tutorials/Casimir_Forces.md ./doc/docs/Scheme_Tutorials/Local_Density_of_States.md ./doc/docs/Scheme_Tutorials/Cylindrical_Coordinates.md ./doc/docs/Scheme_Tutorials/Custom_Source.md ./doc/docs/Scheme_Tutorials/Gyrotropic_Media.md ./doc/docs/Scheme_Tutorials/Optical_Forces.md ./doc/docs/Scheme_Tutorials/Material_Dispersion.md ./doc/docs/Scheme_Tutorials/Basics.md ./doc/docs/Scheme_Tutorials/Third_Harmonic_Generation.md ./doc/docs/License_and_Copyright.md ./doc/generate_py_api.py ./doc/meep-logos.svg ./compile ./.gitattributes ./config.log ./monkeytype.sqlite3 ./.flake8 ./config.guess ./Makefile.in ./py-compile ./codecov.yml ./configure.ac ./contrib ./contrib/build-meep.sh ./.travis.yml ./NEWS.md ======================================== meep 1.29.0: python/test-suite.log ======================================== # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 System information (uname -a): Linux 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" VERSION_CODENAME=trixie ID=debian HOME_URL="https://www.debian.org/" SUPPORT_URL="https://www.debian.org/support" BUG_REPORT_URL="https://bugs.debian.org/" .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-usksy2xp because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8967 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-z_w0tpbr because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.4279 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-a2__w8ki because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2108 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-v_fwq5wc because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0037 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-fvvg9p9z because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0013 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-s81jy622 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2292 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ug54u6zi because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2158 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-6w63qf2r because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepFBAM2J/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018837451934814453 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525806 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653589 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.22742070896945 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595338 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.9599758521139403 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209035 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.880767945096899 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484458 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680406 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288497 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595174 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692499949 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.834767852380851 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477671 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347114 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531659 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026499 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416982 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360684 (0.00776977% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320745163302405 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030389 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035343 (0.00161738% change) linmin: converged after 5 iterations. iteration 24: trace = 0.8320296693273969 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490102705 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.8320231011390544 (0.000282188% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320218176827517 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241197 (9.04494e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 0.8320205764596332 (5.87322e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320203215524494 (3.06371e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8320202068535008 (1.37856e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439113906 (7.56497e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056783553 (4.59521e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829984286 (2.72589e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693469976 (1.64076e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200636022761 (6.90455e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8320200604496077 (3.78917e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8320200588885587 (1.87622e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8320200580360416 (1.02464e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200576147473 (5.06351e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8320200574061605 (2.50699e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8320200572926093 (1.36476e-08% change) linmin: converged after 7 iterations. iteration 43: trace = 0.8320200572316058 (7.33198e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981696 (4.01867e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8320200571762061 (2.63979e-09% change) linmin: converged after 7 iterations. iteration 46: trace = 0.8320200571626003 (1.63527e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8320200571545779 (9.64203e-10% change) linmin: converged after 8 iterations. iteration 48: trace = 0.8320200571500291 (5.46718e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 0.8320200571472443 (3.34713e-10% change) linmin: converged after 6 iterations. iteration 50: trace = 0.8320200571454032 (2.21279e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 0.832020057144456 (1.13835e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.12105560302734375 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073580264 (1.48851% change) linmin: converged after 7 iterations. iteration 2: trace = 0.836415826892428 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576179084 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.834249341372225 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.832750686725621 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.831802239248742 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193315808 (0.0574123% change) linmin: converged after 7 iterations. iteration 8: trace = 0.8309940498476012 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497537 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965058 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188765283 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030385 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818053 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313088 (0.00170449% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8305386872319385 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462615 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791161 (0.000176617% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8305331675841146 (0.000114805% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8305322746123354 (3.69061e-05% change) linmin: converged after 13 iterations. iteration 21: trace = 0.8305320916748298 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893367 (1.07986e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8305319557055921 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924425 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092434 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197279 (1.43155e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8305318965921994 (9.18391e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8305318905537223 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8305318875556134 (3.60987e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8305318858786975 (2.01909e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8305318849630977 (1.10243e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.83053188455333 (4.9338e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8305318842111979 (4.11943e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8305318840358373 (2.11143e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8305318839403597 (1.1496e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001316 (4.84366e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8305318838746908 (3.06319e-09% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8305318838577103 (2.04454e-09% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8305318838472715 (1.25688e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 0.8305318838419795 (6.37181e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 0.8305318838394076 (3.09674e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8305318838374596 (2.34548e-10% change) linmin: converged after 11 iterations. iteration 43: trace = 0.8305318838359883 (1.77148e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.8305318838350267 (1.15777e-10% change) linmin: converged after 13 iterations. iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.16572952270507812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601013094 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083119653 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664943838 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918506055 (0.119613% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8311832900374694 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.830643239426455 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416616999911 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132785964 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559959648 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450117425 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209969028 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236590538 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420166465 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420039 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940682 (0.00049413% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8299288478334288 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859864951 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864058952 (0.000144541% change) linmin: converged after 3 iterations. iteration 19: trace = 0.829925065824703 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651354 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997327 (3.22397e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8299242050799012 (2.08236e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8299241006170164 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288709488 (8.6449e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8299239857346408 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673494 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095064 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817773 (6.17855e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8299239486790267 (2.53367e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8299239474471359 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467744979 (8.10482e-08% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8299239462912057 (5.82333e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822301 (2.51801e-08% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8299239459468974 (1.63066e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8299239458765889 (8.47168e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.829923945819853 (6.83628e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 0.8299239457895662 (3.64934e-09% change) linmin: converged after 18 iterations. iteration 38: trace = 0.8299239457730854 (1.98582e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.829923945762245 (1.30618e-09% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8299239457533897 (1.06701e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8299239457488127 (5.51497e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8299239457466062 (2.65863e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457753 (1.00117e-10% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.16238093376159668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710375606 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464026576 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214250784 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434686574 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199989654 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396397916 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310408798 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777512345 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.828853635231303 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540905853 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8284802606975388 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573576957 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933128 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330452679 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017525594 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886158 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625777 (0.000707472% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8282850045905191 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111423 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842404 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330931 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972714 (4.1017e-05% change) linmin: converged after 10 iterations. iteration 23: trace = 0.8282810615722169 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635211562 (1.18379e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507056 (6.69706e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8282808797258175 (3.41972e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907806 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640866 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579752 (7.37203e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817696 (4.07616e-07% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8282808435852023 (2.53123e-07% change) linmin: converged after 22 iterations. iteration 32: trace = 0.8282808424976615 (1.31301e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8282808418243516 (8.12901e-08% change) linmin: converged after 26 iterations. iteration 34: trace = 0.8282808413684954 (5.50364e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.828280841140105 (2.7574e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8282808410003677 (1.68708e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8282808409003379 (1.20768e-08% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8282808408204219 (9.64843e-09% change) linmin: converged after 23 iterations. iteration 39: trace = 0.8282808407815202 (4.69668e-09% change) linmin: converged after 20 iterations. iteration 40: trace = 0.8282808407436588 (4.57108e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 0.8282808407148377 (3.47964e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 0.8282808406920071 (2.75637e-09% change) linmin: converged after 20 iterations. iteration 43: trace = 0.8282808406803962 (1.40181e-09% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8282808406737897 (7.97615e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 0.8282808406704854 (3.98942e-10% change) linmin: converged after 20 iterations. iteration 46: trace = 0.8282808406687542 (2.09008e-10% change) linmin: converged after 16 iterations. iteration 47: trace = 0.8282808406678079 (1.14242e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.17856550216674805 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8297766891069731 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684665089 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084565217 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488851038 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.821302982849101 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591654698 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8200782988766928 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796506 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501049 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872542 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404151 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298404 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611286 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377106 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623282 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744633 (0.000194331% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8195753474397358 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742771 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734993 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048918 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680505 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620216 (2.88028e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8195746392254358 (1.29782e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8195746328348417 (7.79745e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8195746295494712 (4.00863e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.819574628150167 (1.70735e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.819574627240056 (1.11047e-07% change) linmin: converged after 13 iterations. iteration 29: trace = 0.8195746268100962 (5.24613e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8195746264084744 (1.34678e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 0.819574626315677 (1.13226e-08% change) linmin: converged after 21 iterations. iteration 33: trace = 0.8195746262714604 (5.39507e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8195746262510977 (2.48455e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8195746262406685 (1.27252e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 0.8195746262340663 (8.0556e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8195746262311594 (3.54684e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8195746262301516 (1.2296e-10% change) linmin: converged after 14 iterations. iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.1468966007232666 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200978 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160611 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594326705 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531225 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327961 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218349 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190501 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418244 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.815302039455432 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511838 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958286 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8152664896382907 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375412 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738085 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303294074 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119021 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347021 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120725 (1.73837e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8152593920835799 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039602 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987894 (2.72369e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8152593247016553 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087749 (9.06813e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254384 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047849 (2.23322e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8152593112736251 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092139 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.815259310849337 (1.96106e-08% change) linmin: converged after 14 iterations. iteration 29: trace = 0.8152593107911468 (7.13763e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8152593107576603 (4.10746e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456161 (1.47735e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8152593107377915 (9.59772e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8152593107338367 (4.85088e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317029 (2.61739e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.815259310730681 (1.2534e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.13326263427734375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.821370409986769 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691139 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603227 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631808 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594185 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067763 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413469 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.810170532140577 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866153 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.810127159684356 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539548 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189375 (0.000599572% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8101112551273704 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752453 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151842 (8.32554e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101090557261186 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543414 (5.14029e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8101088443461926 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233447 (1.2866e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101088287653664 (6.36702e-07% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8101088257061433 (3.77631e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653309 (2.2723e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101088226655317 (1.48103e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8101088219921039 (8.31281e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8101088216435341 (4.30275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8101088214253348 (2.69346e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419818 (1.02891e-08% change) linmin: converged after 7 iterations. iteration 31: trace = 0.810108821310263 (3.91538e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101088212925489 (2.18663e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8101088212829828 (1.18084e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101088212792965 (4.55034e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8101088212770267 (2.80191e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8101088212756522 (1.69663e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8101088212748287 (1.01647e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.1491236686706543 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711280252 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969772575 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.805333055837807 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609682 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835426756 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843842 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577098 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265869 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041444 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698008 (0.00357167% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8027995733459991 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323363 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539709 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8027839219051784 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.802783473220715 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213433 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655302 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738787 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936691 (2.14008e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027830866479161 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597426 (8.58037e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027830760515264 (4.6192e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8027830736191417 (3.02994e-07% change) linmin: converged after 23 iterations. iteration 25: trace = 0.8027830724307849 (1.4803e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.802783071757542 (8.38636e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027830715079969 (3.1085e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 0.8027830713939035 (1.42122e-08% change) linmin: converged after 12 iterations. iteration 29: trace = 0.8027830713270424 (8.32866e-09% change) linmin: converged after 22 iterations. iteration 30: trace = 0.802783071298987 (3.49477e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027830712879676 (1.37265e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8027830712796175 (1.04014e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027830712735204 (7.59484e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713145 (2.74782e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 0.8027830712698051 (1.88028e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027830712687665 (1.29377e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.13640975952148438 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225888147 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588192878 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136602734 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724598679 (0.0823728% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8032567356251885 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650606 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048993 (0.0128625% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8028182815775589 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785095 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407243 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526494 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8027279829144561 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143823 (0.000511108% change) linmin: converged after 5 iterations. iteration 14: trace = 0.802721142098596 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384176 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701811 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596904 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591474 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781742 (1.27419e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027157420448232 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436422 (4.07382e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027156963900606 (1.61372e-06% change) linmin: converged after 21 iterations. iteration 24: trace = 0.8027156897719048 (8.24471e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140719 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301813 (1.97317e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538276 (8.42582e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8027156842766803 (5.94416e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251533 (3.13345e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8027156839051051 (1.49553e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.802715683853704 (6.4034e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8027156838186866 (4.36236e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027156837999561 (2.3334e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8027156837942564 (7.10048e-10% change) linmin: converged after 12 iterations. iteration 35: trace = 0.8027156837904589 (4.73084e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027156837880033 (3.0591e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027156837870201 (1.22486e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.14573884010314941 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.81552943763693 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522678332 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935487387 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331387632 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607972 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564982 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115423182 (0.0223593% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8114739977365056 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433781 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799227 (0.0086925% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8112504355243503 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173142 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.811182625400972 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.811159352366833 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100563 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139368 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057771 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456813 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274568 (0.000102883% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8111290114631671 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725699 (3.03516e-05% change) linmin: converged after 12 iterations. iteration 22: trace = 0.8111286057812002 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.811128523442616 (1.01511e-05% change) linmin: converged after 22 iterations. iteration 24: trace = 0.8111284687544931 (6.74223e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8111284433477544 (3.13227e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222031219 (2.60682e-06% change) linmin: converged after 25 iterations. iteration 27: trace = 0.8111284113560471 (1.33728e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028316927 (1.05093e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915548 (4.98089e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.811128396788974 (2.46888e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216868 (1.56238e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8111283948185326 (8.66884e-08% change) linmin: converged after 20 iterations. iteration 33: trace = 0.8111283945321667 (3.53046e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54753e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8111283943165311 (1.11094e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 0.8111283942752683 (5.08708e-09% change) linmin: converged after 11 iterations. iteration 37: trace = 0.8111283942632429 (1.48255e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8111283942557574 (9.22845e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508327 (6.07145e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481882 (3.26034e-10% change) linmin: converged after 14 iterations. iteration 41: trace = 0.8111283942468087 (1.70066e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.16057658195495605 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269209446 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.827355026462319 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782056244 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101628934576 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222279177 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425231913 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507087041 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802243929 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695642303 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191261524 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287639451 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982961504 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353220518 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211850548 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771352076 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953720222 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570076447 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360017697 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855886204 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002105967 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754427954 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292129 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947454 (0.000353121% change) linmin: converged after 5 iterations. iteration 24: trace = 0.819074813932527 (0.000280372% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8190737905148688 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722773 (9.79085e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8190726416047907 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469594 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325828 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223058891 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361974 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506279 (1.67086e-06% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8190722717209055 (1.00476e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8190722641677792 (9.22156e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175836 (8.85172e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8190722523986513 (5.51714e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 0.8190722470126113 (6.57578e-07% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8190722404773005 (7.97892e-07% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8190722358112574 (5.69674e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.819072232713411 (3.78214e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8190722304560768 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582339 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638572 (1.21403e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8190722275599032 (7.37364e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229287 (2.89321e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693907 (1.87454e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8190722271071549 (7.59833e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 0.8190722270707881 (4.44e-09% change) linmin: converged after 8 iterations. iteration 49: trace = 0.8190722270585117 (1.49882e-09% change) linmin: converged after 9 iterations. iteration 50: trace = 0.8190722270528314 (6.93496e-10% change) linmin: converged after 2 iterations. iteration 51: trace = 0.8190722270495938 (3.9528e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8190722270481847 (1.72036e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.2035372257232666 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723246575208 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838459059703 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719752377973 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500822182408 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308842095282 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449349130132 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055812011 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668461114 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147433555 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758596253 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572251591 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869969691 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838527378 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495612961 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.809029904831553 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961709383 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.809014953258021 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585544 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828483 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490818 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733325 (3.89828e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8090112622133538 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213241 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767132 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273191 (1.84786e-06% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8090111376871489 (1.4759e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8090111299481237 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591644 (8.02085e-07% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8090111190077993 (5.50223e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 0.8090111160067404 (3.70954e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8090111140715629 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8090111128405609 (1.52161e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8090111123538611 (6.01598e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8090111120761609 (3.43259e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8090111118275729 (3.07274e-08% change) linmin: converged after 9 iterations. iteration 36: trace = 0.8090111117288277 (1.22057e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8090111116923974 (4.50307e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8090111116668653 (3.15595e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8090111116513792 (1.91421e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8090111116440931 (9.00613e-10% change) linmin: converged after 8 iterations. iteration 41: trace = 0.8090111116401743 (4.84402e-10% change) linmin: converged after 7 iterations. iteration 42: trace = 0.8090111116384466 (2.13547e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8090111116376205 (1.02114e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.16277670860290527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851171028939 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273679645 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308030294 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240617594 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043904985 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308346033 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147946 (0.0192663% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8101854245831668 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830516069 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445535005 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717303 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865759 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483951 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435783 (5.98732e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101016896360241 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582977 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593606 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005625 (2.94516e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 0.8101014766732861 (1.22544e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101014719162731 (5.87212e-07% change) linmin: converged after 9 iterations. iteration 22: trace = 0.8101014694525351 (3.04127e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101014680412499 (1.74211e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8101014671897433 (1.05111e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101014666458746 (6.71359e-08% change) linmin: converged after 21 iterations. iteration 26: trace = 0.8101014663668955 (3.44375e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.810101466265404 (1.25282e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 0.81010146620943 (6.90951e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8101014661850824 (3.0055e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8101014661721246 (1.59952e-09% change) linmin: converged after 10 iterations. iteration 31: trace = 0.8101014661683203 (4.69607e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8101014661663729 (2.40395e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8101014661650514 (1.63128e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.13000011444091797 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8384802898745893 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911062945 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232297395 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100239 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8273222532323038 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608251799 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.825746249526539 (0.0654359% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8254198265356778 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616752 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.825060638482868 (0.0156616% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8249885908464127 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823401 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650685 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087209 (0.00138894% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8249097450566564 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163058 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750687 (0.000252458% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724941 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074979 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447533 (2.18405e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8249015845869493 (1.16084e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8249015344706894 (6.07542e-06% change) linmin: converged after 29 iterations. iteration 24: trace = 0.8249015089280828 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902014 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.824901488614488 (7.60783e-07% change) linmin: converged after 20 iterations. iteration 27: trace = 0.8249014853873696 (3.91213e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8249014836509936 (2.10495e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636325 (1.07572e-07% change) linmin: converged after 18 iterations. iteration 30: trace = 0.8249014823775741 (4.68005e-08% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8249014822007897 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.824901482090505 (1.33694e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8249014820217438 (8.33568e-09% change) linmin: converged after 17 iterations. iteration 34: trace = 0.8249014819930198 (3.48212e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693661 (2.86746e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.824901481953956 (1.86812e-09% change) linmin: converged after 29 iterations. iteration 37: trace = 0.8249014819460345 (9.60289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.824901481942062 (4.81571e-10% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8249014819395264 (3.07387e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8249014819380522 (1.78707e-10% change) linmin: converged after 19 iterations. iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.15881705284118652 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504591123 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126043947 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944515184 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8335042421908354 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937665399 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220851 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782410276 (0.0557151% change) linmin: converged after 4 iterations. iteration 8: trace = 0.829643818342118 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716858 (0.0169034% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8294292605779853 (0.00896136% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8293938184228483 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030893 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786953 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962766 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035652 (0.000263575% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.829360506372306 (7.26427e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8293602062721993 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222398 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560092 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100364 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795793 (3.76561e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8293598817828403 (1.97704e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8293598714059208 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872627 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133634 (3.34463e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8293598612781703 (1.85106e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.829359860406113 (1.05148e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8293598600266681 (4.57515e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.829359859880868 (1.75798e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8293598598147822 (7.96829e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8293598597813754 (4.02803e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8293598597669891 (1.73462e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 0.8293598597619863 (6.03209e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 0.8293598597589525 (3.658e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8293598597571552 (2.16714e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 0.8293598597560862 (1.28899e-10% change) linmin: converged after 12 iterations. iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.15035033226013184 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244383111 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022391054 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479244907 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672427864 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545398473 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568487466 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065786069 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793125117 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396589 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982039 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237533 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855955 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853659 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258959 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047004 (0.000387298% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8320220385837229 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606001 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344799 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623704 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730953 (1.56353e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8320201840423713 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422794 (5.54074e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320200998172955 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733774 (3.10617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921723 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872655 (4.21253e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 6 iterations. iteration 28: trace = 0.8320200583654859 (1.64481e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.832020057676187 (8.28464e-08% change) linmin: converged after 26 iterations. iteration 30: trace = 0.8320200574763273 (2.4021e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161713 (1.92491e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89362e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976759 (4.34827e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200571735464 (2.90011e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.832020057159289 (1.7136e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 0.832020057152568 (8.07788e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484557 (4.94251e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8320200571461506 (2.77055e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8320200571449828 (1.40349e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.0892341136932373 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839493 at Vector3<0.5, 0.0, 0.0> to 0.365115253765172 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.3071498340039349 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714739 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 2.3978397846221924 done /tmp/meepFBAM2J/test_anisotropic_2d_gap-0: 2.40s /tmp/meepFBAM2J/test_attribute_accessors-0 ======================== /tmp/meepFBAM2J/test_attribute_accessors-0: 0.00s /tmp/meepFBAM2J/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.00022077560424804688 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 27.80144625042668 (180.5% change) linmin: converged after 16 iterations. iteration 2: trace = 19.82418800058347 (33.4999% change) linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 53.3333%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) iteration 7: trace = 18.62909560171773 (0.000350373% change) iteration 8: trace = 18.62908847487772 (3.82565e-05% change) iteration 9: trace = 18.62908778007814 (3.72965e-06% change) iteration 10: trace = 18.62908770043223 (4.27535e-07% change) iteration 11: trace = 18.62908769519267 (2.81257e-08% change) iteration 12: trace = 18.62908769492712 (1.42543e-09% change) iteration 13: trace = 18.62908769487256 (2.92889e-10% change) iteration 14: trace = 18.62908769486296 (5.15293e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.0020880699157714844 total elapsed time for run: 0.0023620128631591797 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 .Outputting fields to /tmp/meepFBAM2J/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepFBAM2J/test_bragg-0: 0.01s /tmp/meepFBAM2J/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.003334522247314453 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 17 iterations. iteration 1: trace = 17.30275056402841 (175.314% change) linmin: converged after 9 iterations. iteration 2: trace = 11.97603738636608 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626017051 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486916847 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618325 (0.0540165% change) linmin: converged after 6 iterations. iteration 6: trace = 11.08249596623342 (0.00433692% change) linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 56.5217%) iteration 7: trace = 11.08219937792932 (0.00267622% change) iteration 8: trace = 11.080392850722 (0.0163025% change) iteration 9: trace = 11.07371100354852 (0.0603215% change) iteration 10: trace = 11.07251024800463 (0.0108439% change) iteration 11: trace = 11.07220229832265 (0.00278125% change) iteration 12: trace = 11.07213750357019 (0.000585204% change) iteration 13: trace = 11.07212372583534 (0.000124436% change) iteration 14: trace = 11.07210662375196 (0.000154461% change) iteration 15: trace = 11.07200618513988 (0.000907136% change) iteration 16: trace = 11.07178853906114 (0.00196575% change) iteration 17: trace = 11.07169462080939 (0.00084827% change) iteration 18: trace = 11.07167952477866 (0.000136348% change) iteration 19: trace = 11.07167805420032 (1.32823e-05% change) iteration 20: trace = 11.07167785750308 (1.77658e-06% change) iteration 21: trace = 11.07167775260546 (9.47441e-07% change) iteration 22: trace = 11.07167747653739 (2.49346e-06% change) iteration 23: trace = 11.07167663022426 (7.64395e-06% change) iteration 24: trace = 11.07167507867053 (1.40137e-05% change) iteration 25: trace = 11.07167457522155 (4.54718e-06% change) iteration 26: trace = 11.07167454094441 (3.09593e-07% change) iteration 27: trace = 11.07167453787443 (2.77283e-08% change) iteration 28: trace = 11.07167453688923 (8.89838e-09% change) iteration 29: trace = 11.07167453601795 (7.86945e-09% change) iteration 30: trace = 11.07167453215181 (3.49192e-08% change) iteration 31: trace = 11.07167452172307 (9.41929e-08% change) iteration 32: trace = 11.07167451533867 (5.76643e-08% change) iteration 33: trace = 11.07167451387419 (1.32272e-08% change) iteration 34: trace = 11.07167451369528 (1.61595e-09% change) iteration 35: trace = 11.07167451368281 (1.1263e-10% change) iteration 36: trace = 11.07167451367712 (5.14055e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.003576517105102539 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 11.04206517571945 (0.320463% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 53.7037%) iteration 2: trace = 11.02780279959338 (0.129247% change) iteration 3: trace = 11.02771393517148 (0.000805825% change) switching back to exact line minimization large trace change predicted (0.0933476%) linmin: converged after 10 iterations. iteration 4: trace = 11.0180770514757 (0.0874261% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01665354727847 (0.0129206% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01541286571021 (0.0112625% change) linmin: converged after 7 iterations. iteration 7: trace = 11.01434823584341 (0.00966538% change) linmin: converged after 6 iterations. iteration 8: trace = 11.01353518814911 (0.00738199% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01298187990253 (0.00502402% change) linmin: converged after 5 iterations. iteration 10: trace = 11.01261166456619 (0.00336168% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01235387426688 (0.00234089% change) linmin: converged after 6 iterations. iteration 12: trace = 11.01216515220463 (0.00171375% change) linmin: converged after 6 iterations. iteration 13: trace = 11.01202044355579 (0.00131409% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01190490326328 (0.00104923% change) linmin: converged after 5 iterations. iteration 15: trace = 11.01180931248924 (0.000868071% change) linmin: converged after 5 iterations. iteration 16: trace = 11.01172766992424 (0.000741412% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01165588562031 (0.000651892% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01159104126458 (0.000588872% change) linmin: converged after 6 iterations. iteration 19: trace = 11.01153095105778 (0.000545701% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01147389088471 (0.000518187% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141842314176 (0.000503728% change) linmin: converged after 5 iterations. iteration 22: trace = 11.011363279846 (0.000500784% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01130728073259 (0.000508559% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124927568334 (0.000526779% change) linmin: converged after 5 iterations. iteration 25: trace = 11.01118810420657 (0.000555538% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01112256970498 (0.000595165% change) linmin: converged after 6 iterations. iteration 27: trace = 11.01105142821515 (0.00064609% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01097339242094 (0.000708707% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01088715131547 (0.000783232% change) linmin: converged after 5 iterations. iteration 30: trace = 11.0107914060294 (0.000869555% change) linmin: converged after 6 iterations. iteration 31: trace = 11.0106849180708 (0.000967128% change) linmin: converged after 6 iterations. iteration 32: trace = 11.01056656925716 (0.00107486% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01043541364287 (0.00119119% change) linmin: converged after 6 iterations. iteration 34: trace = 11.01029074206602 (0.00131396% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01013213672338 (0.00144053% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995953386277 (0.00156769% change) linmin: converged after 5 iterations. iteration 37: trace = 11.00977329311963 (0.00169158% change) linmin: converged after 5 iterations. iteration 38: trace = 11.00957423839051 (0.001808% change) linmin: converged after 6 iterations. iteration 39: trace = 11.00936387282796 (0.00191077% change) linmin: converged after 5 iterations. iteration 40: trace = 11.00914432759653 (0.00199419% change) linmin: converged after 6 iterations. iteration 41: trace = 11.0089183703355 (0.00205247% change) linmin: converged after 9 iterations. iteration 42: trace = 11.00868924182022 (0.00208132% change) linmin: converged after 5 iterations. iteration 43: trace = 11.00846045179156 (0.00207829% change) linmin: converged after 8 iterations. iteration 44: trace = 11.00823497316162 (0.00204825% change) linmin: converged after 6 iterations. iteration 45: trace = 11.00801560513369 (0.00199278% change) linmin: converged after 7 iterations. iteration 46: trace = 11.00780404143223 (0.00192192% change) linmin: converged after 8 iterations. iteration 47: trace = 11.00760148329401 (0.00184015% change) linmin: converged after 7 iterations. iteration 48: trace = 11.0074082746179 (0.00175524% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00722432784486 (0.00167113% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704921934516 (0.00159086% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00688244550208 (0.00151517% change) linmin: converged after 6 iterations. iteration 52: trace = 11.00672333233266 (0.00144559% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00657129813051 (0.00138129% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00642574585819 (0.00132242% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00628616129125 (0.00126822% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00615208952206 (0.00121815% change) linmin: converged after 7 iterations. iteration 57: trace = 11.0060231674577 (0.00117137% change) linmin: converged after 7 iterations. iteration 58: trace = 11.00589908318859 (0.00112743% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577957932565 (0.00108582% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00566444576149 (0.00104612% change) linmin: converged after 5 iterations. iteration 61: trace = 11.00555350795941 (0.00100801% change) linmin: converged after 7 iterations. iteration 62: trace = 11.00544661922243 (0.00097123% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00534365311074 (0.000935597% change) linmin: converged after 5 iterations. iteration 64: trace = 11.00524449516395 (0.000901002% change) linmin: converged after 7 iterations. iteration 65: trace = 11.00514903761223 (0.000867386% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505717735739 (0.000834706% change) linmin: converged after 8 iterations. iteration 67: trace = 11.0049688034358 (0.000803033% change) linmin: converged after 5 iterations. iteration 68: trace = 11.00488380735937 (0.000772346% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00480207443335 (0.0007427% change) resetting CG direction... large trace change predicted (0.115632%) linmin: converged after 6 iterations. iteration 70: trace = 10.99201754160869 (0.11624% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99061975130357 (0.0127172% change) linmin: converged after 5 iterations. iteration 72: trace = 10.98948395851989 (0.0103347% change) linmin: converged after 7 iterations. iteration 73: trace = 10.98818699095862 (0.0118026% change) linmin: converged after 11 iterations. iteration 74: trace = 10.98802561718052 (0.00146862% change) linmin: converged after 5 iterations. iteration 75: trace = 10.98801515922397 (9.5176e-05% change) linmin: converged after 6 iterations. iteration 76: trace = 10.98801412710668 (9.39312e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 10.9880140963487 (2.79923e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 10.9880140931361 (2.92373e-08% change) linmin: converged after 5 iterations. iteration 79: trace = 10.98801409314922 (1.19437e-10% change) large trace change predicted (5.39425e-10%) linmin: converged after 3 iterations. iteration 80: trace = 10.98801409312087 (2.58079e-10% change) large trace change predicted (7.16165e-10%) linmin: converged after 3 iterations. iteration 81: trace = 10.98801409307904 (3.80652e-10% change) linmin: converged after 4 iterations. iteration 82: trace = 10.9880140930625 (1.50557e-10% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409297193 (8.24272e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 10.98801409292646 (4.13793e-10% change) linmin: converged after 10 iterations. iteration 85: trace = 10.98801409301239 (7.82062e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 10.98801409290933 (9.37953e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 10.98801409288131 (2.54991e-10% change) linmin: converged after 5 iterations. iteration 88: trace = 10.98801409291042 (2.64901e-10% change) linmin: converged after 4 iterations. iteration 89: trace = 10.98801409287826 (2.92707e-10% change) linmin: converged after 5 iterations. iteration 90: trace = 10.98801409291454 (3.30213e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 10.98801409295369 (3.56306e-10% change) linmin: converged after 36 iterations. iteration 92: trace = 10.98801409307939 (1.14399e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 10.98801409310837 (2.63705e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 10.98801409306274 (4.15248e-10% change) linmin: converged after 6 iterations. iteration 95: trace = 10.98801409297453 (8.02787e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 10.98801409293285 (3.79359e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 10.98801409293285 (0% change) Finished solving for bands 1 to 8 after 97 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.015934228897094727 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.9037604689753 (0.00793522% change) linmin: converged after 3 iterations. iteration 2: trace = 10.90359830953052 (0.0014872% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 57.2222%) iteration 3: trace = 10.90350960476494 (0.00081354% change) iteration 4: trace = 10.90345231130984 (0.00052546% change) iteration 5: trace = 10.90344655642725 (5.27804e-05% change) iteration 6: trace = 10.90344608673124 (4.30778e-06% change) iteration 7: trace = 10.90344605028353 (3.34277e-07% change) iteration 8: trace = 10.9034460484781 (1.65583e-08% change) iteration 9: trace = 10.90344604785685 (5.69775e-09% change) iteration 10: trace = 10.90344604734796 (4.66725e-09% change) iteration 11: trace = 10.90344604730576 (3.86993e-10% change) iteration 12: trace = 10.90344604730431 (1.33103e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0014896392822265625 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874319248099 (0.00713652% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179318098 (0.000844047% change) linmin: converged after 4 iterations. iteration 3: trace = 10.82863914684248 (0.000116786% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201438445 (6.58666e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384864 (1.42265e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630221 (1.27021e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.7066e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.001608133316040039 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066029 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235572 (0.000755387% change) linmin: converged after 5 iterations. iteration 3: trace = 10.76374658323257 (5.80571e-05% change) linmin: converged after 4 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.61107e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0014677047729492188 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978468 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425318 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989464 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797975 (3.47298e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792912 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.69883e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0014226436614990234 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 5 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718303 (4.10244e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78692e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0014011859893798828 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71057e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.001399993896484375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 58.7209%) iteration 2: trace = 10.60396176516587 (0.000715115% change) iteration 3: trace = 10.60395764730977 (3.88332e-05% change) iteration 4: trace = 10.60395754101102 (1.00244e-06% change) iteration 5: trace = 10.60395753615697 (4.57758e-08% change) iteration 6: trace = 10.60395753572879 (4.03794e-09% change) iteration 7: trace = 10.60395753570917 (1.85057e-10% change) iteration 8: trace = 10.6039575357088 (3.46763e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0010957717895507812 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874334 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638349 (0.000714253% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16889e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18196e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55945e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377203 (2.93572e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.00127410888671875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80563e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34922e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491709 (1.49373e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.001260519027709961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820315 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.3064030262308451 at Vector3<0.5, 0.0, 0.0> to 0.46877485258677126 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501319671 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541647 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437279 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648147756 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025898 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.266656686185508 at Vector3<0.5, 0.0, 0.0> to 1.4970379696969367 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994651423 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910522 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072007239114 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820315) to band 2 (0.3064030262308451), 44.546421284286275% Gap from band 2 (0.46877485258677126) to band 3 (0.5466257501319671), 15.334026262491836% Gap from band 3 (0.7316504426541647) to band 4 (0.7842615905093817), 6.941187444158379% Gap from band 4 (0.9893486155437279) to band 5 (1.0240548648147756), 3.4475205401818383% Gap from band 5 (1.2440980042025898) to band 6 (1.266656686185508), 1.7969642410132252% Gap from band 6 (1.4970379696969367) to band 7 (1.5115800994651423), 0.9666982936292511% Gap from band 7 (1.7488359039910522) to band 8 (1.7581683208483643), 0.5322158890606666% total elapsed time for run: 0.03560376167297363 done /tmp/meepFBAM2J/test_bragg_sine-0: 0.04s /tmp/meepFBAM2J/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00165557861328125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14252042770385742 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43862104415893555 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09358334541320801 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08686447143554688 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10115575790405273 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15643000602722168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11791586875915527 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10086846351623535 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663654327392578 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08432149887084961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08300995826721191 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06568264961242676 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07610464096069336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1041417121887207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12189626693725586 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2521073818206787 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1149768829345703 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepFBAM2J/test_compute_field_energy-0: 2.12s /tmp/meepFBAM2J/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015666484832763672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14207863807678223 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4276158809661865 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09370088577270508 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08678150177001953 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10112285614013672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15671753883361816 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11805438995361328 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10089421272277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663034439086914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08325529098510742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08301782608032227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06577277183532715 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07752370834350586 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10425043106079102 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12186264991760254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.25205469131469727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1043541431427 done /tmp/meepFBAM2J/test_compute_group_velocity-0: 2.11s /tmp/meepFBAM2J/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016412734985351562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14267992973327637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4285774230957031 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09406447410583496 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08750224113464355 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10080623626708984 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15682148933410645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11831521987915039 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10126876831054688 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0870964527130127 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0839548110961914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08337759971618652 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06594109535217285 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07646489143371582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10452628135681152 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1221761703491211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2519662380218506 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.108715295791626 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_compute_integrals-0: 2.11s /tmp/meepFBAM2J/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.02442479133605957 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 7.793809388876705 (194.671% change) linmin: converged after 9 iterations. iteration 2: trace = 1.602644292878243 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863323821914 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732460474549 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867573 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224121 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980189 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773774 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.077841961858109 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120797 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396719 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570876 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595674 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516336 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104172 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198569 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055658 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.07491389724555 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130553 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440155 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476407 (4.21396e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283007 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 8 iterations. iteration 26: trace = 1.074908146483127 (0.000205022% change) large trace change predicted (0.000513655%) linmin: converged after 7 iterations. iteration 27: trace = 1.074902628231891 (0.000513371% change) linmin: converged after 6 iterations. iteration 28: trace = 1.07489427477573 (0.000777139% change) linmin: converged after 10 iterations. iteration 29: trace = 1.074885559294586 (0.000810825% change) linmin: converged after 7 iterations. iteration 30: trace = 1.07487875130051 (0.000633371% change) linmin: converged after 8 iterations. iteration 31: trace = 1.074871979315249 (0.000630025% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074864290605019 (0.000715317% change) linmin: converged after 6 iterations. iteration 33: trace = 1.074857335708988 (0.000647051% change) linmin: converged after 5 iterations. iteration 34: trace = 1.07485261192785 (0.000439481% change) linmin: converged after 5 iterations. iteration 35: trace = 1.074850531096997 (0.000193592% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707709224 (7.66049e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321521 (2.85052e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849273653973 (1.18777e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.074849202665489 (6.60451e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.074849166432306 (3.371e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 1.074849150238602 (1.5066e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849143714862 (6.06945e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.074849140933157 (2.588e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.074849139366229 (1.45781e-07% change) linmin: converged after 17 iterations. iteration 45: trace = 1.074849138484937 (8.19921e-08% change) linmin: converged after 17 iterations. iteration 46: trace = 1.074849138034038 (4.195e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805368 (2.12746e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074849137683473 (1.13407e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 1.074849137606193 (7.18978e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.074849137561191 (4.18686e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.074849137540538 (1.92152e-09% change) linmin: converged after 6 iterations. iteration 52: trace = 1.074849137533198 (6.82837e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.074849137531017 (2.02905e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.408428430557251 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858894969229 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649196263 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07251725089513 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267318321722 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684351104 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614527449 (0.00131225% change) linmin: converged after 6 iterations. iteration 7: trace = 1.072176813419732 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174588798702 (0.000207487% change) linmin: converged after 6 iterations. iteration 9: trace = 1.072173275804353 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792706117 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507113538 (2.66368e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.072172093433364 (3.85834e-05% change) linmin: converged after 15 iterations. iteration 13: trace = 1.072171277788257 (7.60741e-05% change) large trace change predicted (0.000180552%) linmin: converged after 3 iterations. iteration 14: trace = 1.072169342012669 (0.000180547% change) linmin: converged after 6 iterations. iteration 15: trace = 1.072167408073178 (0.000180376% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07216645616984 (8.87831e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970163146 (4.53294e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682211661 (2.6857e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408273896 (2.555e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072165207651939 (1.87118e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.072165103677908 (9.69758e-06% change) linmin: converged after 8 iterations. iteration 22: trace = 1.072165061729308 (3.91251e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577667 (1.0401e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945176 (2.4553e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308083 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160097 (1.38025e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103966 (5.23532e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.072165047075589 (2.64667e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072165047058599 (1.58468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048056 (9.83369e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.072165047042509 (5.17293e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.072165047039761 (2.56327e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072165047038644 (1.04233e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.258709192276001 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440465997937 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807425879 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667496332 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06558596722854 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753691639 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120722214 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506870622606 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504384684949 (0.000233311% change) linmin: converged after 22 iterations. iteration 9: trace = 1.065503073447468 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572100317 (4.70526e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065502157705918 (3.88919e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.065501551233871 (5.69189e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878587815 (6.31295e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065500247902232 (5.91915e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909232228 (3.17851e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690824919 (2.04981e-05% change) linmin: converged after 16 iterations. iteration 17: trace = 1.065499506928144 (1.72592e-05% change) linmin: converged after 27 iterations. iteration 18: trace = 1.065499383728825 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698607 (6.38482e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220954 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548668 (5.32359e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.06549928702242 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677923 (3.2332e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73406e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.065499286570306 (2.36607e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00357e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551558 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546964 (4.31232e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.065499286545303 (1.55817e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.22834539413452148 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504517075 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549181389 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.05750209007881 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559167011 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691612308 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876222962 (0.00130666% change) linmin: converged after 6 iterations. iteration 7: trace = 1.057292723706862 (0.000771072% change) linmin: converged after 5 iterations. iteration 8: trace = 1.057291059116352 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409956604 (6.13984e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221449912 (1.78292e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 1.057290112032823 (1.03488e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057289958938371 (1.44799e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05728978927021 (1.60475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908519 (1.27081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.05728960466556 (4.75205e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705058 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702317 (4.73167e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780873 (1.81733e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678029 (1.04309e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066725 (5.7818e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21278e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749872 (7.84065e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 1.057289581718886 (2.93067e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697567 (2.01636e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676835 (1.96087e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662599 (1.34648e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.53573e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289581655315 (1.35332e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.2204756736755371 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648812437 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285820777 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.0493148991074 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172109 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038102 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260245 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311484 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387941 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127791569493 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.04912767663003 (1.09557e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.049127634485087 (4.01714e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.049127595483644 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.04912755411629 (3.94302e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.049127517065821 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744463 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460314 (3.13036e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551344 (8.66406e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 1.049127498234714 (3.01803e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.049127497940212 (2.80711e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468461 (4.4966e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017248 (4.30084e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798791 (2.08227e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.049127496735695 (6.01412e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.049127496715389 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707378 (7.63516e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 1.04912749670408 (3.1438e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.049127496702448 (1.55582e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.21355295181274414 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345921672305 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342829177 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013898 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041500108180174 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801538 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04145683290917 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.041452129686212 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409511 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275424 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335743 (1.00763e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.041450551023692 (3.1026e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 1.041450527028449 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527927 (3.1207e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.041450435394978 (5.67794e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 1.041450384495814 (4.88733e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324394 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415189 (3.35198e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.041450255970141 (5.99597e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.041450142733955 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666066 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793363 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149661 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239027 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517449 (6.9286e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090018 (4.10418e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597004 (4.73393e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726589 (8.35772e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065749 (1.59474e-07% change) large trace change predicted (4.18902e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703093 (4.18902e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041450002242117 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 25 iterations. iteration 31: trace = 1.041449968104932 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 9 iterations. iteration 32: trace = 1.041449888871911 (7.60795e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 1.041449762143144 (1.21685e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.041449617732965 (1.38663e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 1.041449518800035 (9.49954e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 1.041449483215057 (3.41687e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 1.041449473025059 (9.78444e-07% change) linmin: converged after 11 iterations. iteration 38: trace = 1.041449470385691 (2.53432e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.041449469588858 (7.65119e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 1.041449469287297 (2.89559e-08% change) linmin: converged after 21 iterations. iteration 41: trace = 1.041449469189137 (9.42536e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 1.041449469160068 (2.79125e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449469152533 (7.23476e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.04144946915032 (2.12482e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.3395874500274658 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665397852365 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261690379781 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058206448938 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314488134805 (0.658768% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895432957606 (0.335661% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850695556537 (0.299864% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826540744309 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456631616534 (0.0365291% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302654802857 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263471429735 (0.00387079% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248752514102 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243324581168 (0.000536227% change) linmin: converged after 4 iterations. iteration 13: trace = 1.012239244019039 (0.000403121% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234290090542 (0.000489404% change) linmin: converged after 6 iterations. iteration 15: trace = 1.012226177553938 (0.000801452% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339976737 (0.00136705% change) linmin: converged after 5 iterations. iteration 17: trace = 1.012198494873001 (0.00136782% change) linmin: converged after 14 iterations. iteration 18: trace = 1.01218820498116 (0.00101659% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979191693 (0.000516288% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431890691 (0.000251664% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179050262794 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436829549 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.01217813830648 (2.94931e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609133 (1.28137e-05% change) linmin: converged after 13 iterations. iteration 25: trace = 1.012177948013639 (5.98664e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.012177914414861 (3.31945e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01217789939853 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703018 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011659 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482535 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943437 (5.32612e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797324 (1.44356e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757117 (3.97228e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.01217788574262 (1.43227e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 1.012177885736502 (6.04461e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.012177885733487 (2.97887e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731925 (1.54263e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.012177885730708 (1.2026e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.012177885728812 (1.87345e-10% change) large trace change predicted (3.79636e-10%) linmin: converged after 5 iterations. iteration 40: trace = 1.012177885724976 (3.78967e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719433 (5.47599e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.012177885715903 (3.48803e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 1.012177885714417 (1.46826e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.33191609382629395 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055187095 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.986660751679959 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345723789 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004081825 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.985572286100927 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500249424 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508570572 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633528354 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516310522371 (4.38638e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 0.9855514450623342 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230134106 (1.23838e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9855511986809358 (1.26155e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9855510508801276 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 5 iterations. iteration 14: trace = 0.9855506934426012 (3.62678e-05% change) large trace change predicted (0.000117861%) linmin: converged after 5 iterations. iteration 15: trace = 0.9855495321103869 (0.000117836% change) large trace change predicted (0.00166435%) linmin: converged after 6 iterations. iteration 16: trace = 0.9855348565365381 (0.00148909% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855133241467 (0.00500687% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692406895214 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542304755862 (0.00152317% change) linmin: converged after 8 iterations. iteration 20: trace = 0.9854392652397095 (0.00151862% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239723783296 (0.00155189% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9854083684239272 (0.00158349% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925738606739 (0.00160286% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765724013024 (0.00162388% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601687710491 (0.00166472% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431486244694 (0.00172732% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9853255014309963 (0.00179099% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075618095639 (0.0018207% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899478011016 (0.00178768% change) linmin: converged after 9 iterations. iteration 30: trace = 0.9852733012228144 (0.00168952% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580327820775 (0.00154968% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442535801191 (0.00139855% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318618943778 (0.00125774% change) linmin: converged after 6 iterations. iteration 34: trace = 0.9852206614348566 (0.00113684% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104433963962 (0.00103714% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010266450926 (0.000955816% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922707824456 (0.000888743% change) linmin: converged after 4 iterations. iteration 38: trace = 0.9851840753707002 (0.000831863% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763731873757 (0.000781804% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691215599174 (0.000736077% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622938373381 (0.000693053% change) linmin: converged after 4 iterations. iteration 42: trace = 0.985155872077998 (0.00065185% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498414783594 (0.000612149% change) linmin: converged after 7 iterations. iteration 44: trace = 0.9851441866707311 (0.000574006% change) linmin: converged after 5 iterations. iteration 45: trace = 0.985138889774108 (0.000537679% change) linmin: converged after 5 iterations. iteration 46: trace = 0.985133929523912 (0.000503509% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292818557378 (0.000471781% change) linmin: converged after 7 iterations. iteration 48: trace = 0.9851249205027524 (0.00044272% change) linmin: converged after 6 iterations. iteration 49: trace = 0.9851208179683515 (0.000416449% change) linmin: converged after 5 iterations. iteration 50: trace = 0.9851169466019023 (0.000392985% change) linmin: converged after 5 iterations. iteration 51: trace = 0.9851132794205391 (0.000372259% change) linmin: converged after 6 iterations. iteration 52: trace = 0.985109790832833 (0.000354131% change) linmin: converged after 7 iterations. iteration 53: trace = 0.98510645710795 (0.000338412% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032567005502 (0.00032488% change) linmin: converged after 8 iterations. iteration 55: trace = 0.9851001704698975 (0.000313291% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971817835199 (0.00030339% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942764892118 (0.000294925% change) linmin: converged after 6 iterations. iteration 58: trace = 0.985091442876421 (0.000287649% change) linmin: converged after 7 iterations. iteration 59: trace = 0.9850886715782785 (0.000281324% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859553938563 (0.00027573% change) linmin: converged after 6 iterations. iteration 61: trace = 0.9850832891120949 (0.000270665% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806692965066 (0.000265949% change) linmin: converged after 3 iterations. iteration 63: trace = 0.9850780940264909 (0.000261428% change) linmin: converged after 9 iterations. iteration 64: trace = 0.9850755626342055 (0.000256974% change) linmin: converged after 5 iterations. iteration 65: trace = 0.9850730754278573 (0.000252489% change) linmin: converged after 5 iterations. iteration 66: trace = 0.9850706334157524 (0.000247902% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682380418601 (0.000243168% change) linmin: converged after 6 iterations. iteration 68: trace = 0.9850658909459264 (0.000238268% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850635937430814 (0.000233203% change) resetting CG direction... large trace change predicted (0.0412899%) linmin: converged after 4 iterations. iteration 70: trace = 0.984656320909412 (0.0413534% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601746300234 (0.0199223% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 55.0263%) iteration 72: trace = 0.9843700916746623 (0.00915091% change) iteration 73: trace = 0.9843454551658701 (0.0025028% change) iteration 74: trace = 0.9843309741360176 (0.00147114% change) iteration 75: trace = 0.9843269359739925 (0.000410245% change) iteration 76: trace = 0.9843259254952034 (0.000102657% change) iteration 77: trace = 0.9843252602722019 (6.75816e-05% change) iteration 78: trace = 0.9843249585536633 (3.06523e-05% change) iteration 79: trace = 0.9843248269988087 (1.3365e-05% change) iteration 80: trace = 0.98432476421352 (6.37851e-06% change) iteration 81: trace = 0.9843247334123673 (3.12917e-06% change) iteration 82: trace = 0.984324723962157 (9.6007e-07% change) iteration 83: trace = 0.9843247200124078 (4.01265e-07% change) iteration 84: trace = 0.9843247177615019 (2.28675e-07% change) iteration 85: trace = 0.9843247140390904 (3.78169e-07% change) iteration 86: trace = 0.9843247059908917 (8.17637e-07% change) iteration 87: trace = 0.9843246878856029 (1.83936e-06% change) iteration 88: trace = 0.9843246566643047 (3.17185e-06% change) iteration 89: trace = 0.9843246205399492 (3.66996e-06% change) iteration 90: trace = 0.9843246064847049 (1.42791e-06% change) iteration 91: trace = 0.9843246017402523 (4.82001e-07% change) iteration 92: trace = 0.9843246002807224 (1.48277e-07% change) iteration 93: trace = 0.9843245999238864 (3.62519e-08% change) iteration 94: trace = 0.9843245998039818 (1.21814e-08% change) iteration 95: trace = 0.9843245997561044 (4.86398e-09% change) iteration 96: trace = 0.9843245997430989 (1.32126e-09% change) iteration 97: trace = 0.9843245997404488 (2.69231e-10% change) iteration 98: trace = 0.9843245997396497 (8.11865e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 0.7178797721862793 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769169844729 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027660893347 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165717033106 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.957943289542284 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534784129706 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743992946 (0.00511669% change) linmin: converged after 4 iterations. iteration 7: trace = 0.957678608758347 (0.00270083% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9576698781250785 (0.00091165% change) linmin: converged after 5 iterations. iteration 9: trace = 0.957662913248986 (0.000727276% change) linmin: converged after 4 iterations. iteration 10: trace = 0.957659602937796 (0.000345666% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418186148 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119794555 (0.000107537% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9576563729664611 (4.58424e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 0.957656162939267 (2.19314e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823066533 (8.41979e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.957656002306946 (8.3537e-06% change) linmin: converged after 7 iterations. iteration 17: trace = 0.9576558845368066 (1.22978e-05% change) linmin: converged after 14 iterations. iteration 18: trace = 0.9576557606442895 (1.29371e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898704878 (7.39032e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427216 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473553 (6.78257e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556586034581 (1.82101e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296465 (3.9034e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9576556581383999 (9.52812e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169042 (2.24462e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9576556581121087 (5.00754e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107256 (1.44427e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.957655658110388 (3.52547e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.21312189102172852 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872268764 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597552535 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739464183 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083740591 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896437538 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673677087 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197623502 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.94112288444301 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177224087071 (0.000548499% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9411142194217064 (0.000372216% change) linmin: converged after 4 iterations. iteration 11: trace = 0.941112530248563 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700160878 (9.1406e-05% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9411114151348848 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125577724 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.941111284045674 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731924729 (1.15323e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 0.9411112675855253 (5.95779e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112644312122 (3.35169e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729394 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571756 (2.1419e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302713 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896662 (6.8069e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179187 (1.82494e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9411112577748133 (4.58027e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644249 (1.10384e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9411112577622929 (2.26548e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9411112577617218 (6.06834e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.20547938346862793 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335951 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968411 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397272 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716024 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243538 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145816 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214865 (0.00115844% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9357260906567764 (0.00022612% change) linmin: converged after 4 iterations. iteration 9: trace = 0.935725146239474 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9357241186857101 (4.23957e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 0.9357237683382568 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170894796 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974401 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444076 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266057 (5.68309e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195156 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374931 (7.28872e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426128 (1.80158e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9357235226371344 (5.85472e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9357235226350299 (2.2491e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.07911e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9357235226332379 (8.35998e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.19082999229431152 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.953165617262801 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869299327 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825934346 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027171157 (0.0261402% change) linmin: converged after 4 iterations. iteration 5: trace = 0.945809012351682 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513593 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144911114 (0.000414304% change) linmin: converged after 4 iterations. iteration 8: trace = 0.945790828863094 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833985105 (3.65265e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9457903738934277 (1.15782e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.9457903287956939 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667367 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332844 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373142 (7.39696e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826197 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358886 (3.53856e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649575 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788865 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821105 (1.02323e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902837614043 (2.1893e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9457902837571461 (4.50221e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9457902837561442 (1.05941e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9457902837559176 (2.39584e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.17614054679870605 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564809288 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261612532 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908342476811 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141780594 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239667435 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.975287908703611 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978139 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452794883 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173619734 (0.000146413% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9752657982803785 (3.27174e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9752656737712249 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.9752655986569766 (7.70193e-06% change) linmin: converged after 9 iterations. iteration 13: trace = 0.9752655199382678 (8.07152e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9752654586050853 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667237 (2.28024e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 0.9752654288851379 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617294 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193447 (4.53604e-08% change) linmin: converged after 10 iterations. iteration 19: trace = 0.9752654264923875 (1.30177e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 0.9752654264573533 (3.59227e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9752654264468763 (1.07427e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434999 (3.46204e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424252 (1.10195e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419853 (4.51026e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.18359661102294922 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457523517 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395899646 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.02094459610308 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.01919668233618 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077777742 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746326 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208145 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585494 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501862 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.018104688377118 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639137 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304828 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799603 (1.31131e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.018103254441715 (8.18757e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 1.01810320466102 (4.88955e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 1.018103175566663 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363203 (1.39509e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.018103152357125 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246916 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530308 (2.6683e-07% change) linmin: converged after 26 iterations. iteration 21: trace = 1.018103143433505 (1.0773e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 1.018103143020114 (4.0604e-08% change) linmin: converged after 17 iterations. iteration 23: trace = 1.018103142868823 (1.48602e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.018103142826689 (4.13842e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 1.018103142813699 (1.27595e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.018103142809128 (4.48973e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01810314280708 (2.01085e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 1.018103142806047 (1.01524e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 1.018103142805611 (4.28123e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.22095894813537598 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 8 iterations. iteration 1: trace = 1.077079219748012 (2.88237% change) linmin: converged after 6 iterations. iteration 2: trace = 1.066262027914326 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961827 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691278 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208741 (0.12664% change) linmin: converged after 8 iterations. iteration 6: trace = 1.053973327355112 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128464 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305613 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805326 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622506 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787789 (0.000843361% change) linmin: converged after 6 iterations. iteration 13: trace = 1.053042139513931 (0.000482722% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053037941123152 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143506 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935649 (0.000119959% change) linmin: converged after 6 iterations. iteration 17: trace = 1.053033595937132 (4.59623e-05% change) linmin: converged after 10 iterations. iteration 18: trace = 1.053033362151743 (2.22011e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 1.053033220622913 (1.34401e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05303313618057 (8.01896e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092856717 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955626 (2.17477e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053033056567454 (1.27139e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053033050086863 (6.15421e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053033046929928 (2.99794e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 1.05303304549263 (1.36491e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053033044713365 (7.40019e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053033044195651 (4.9164e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811561 (3.64746e-08% change) linmin: converged after 20 iterations. iteration 30: trace = 1.053033043579942 (2.19954e-08% change) linmin: converged after 6 iterations. iteration 31: trace = 1.053033043469694 (1.04696e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.053033043429305 (3.83547e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 1.053033043415605 (1.30106e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.05303304341018 (5.15094e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407256 (2.77726e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.053033043404642 (2.48206e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 1.053033043402345 (2.18116e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401217 (1.07202e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.053033043400875 (3.24306e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.29489803314208984 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509191376 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680951 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602503 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402231 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.06795517723029 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.06640429646712 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105567 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340961 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.0649475047683 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340355 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630052 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322813 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598677 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751934186259 (6.12325e-05% change) linmin: converged after 25 iterations. iteration 16: trace = 1.064751716375272 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473267 (7.03469e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763334 (3.07207e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444219 (1.34483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378935 (5.69643e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06475158506594 (3.11152e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775816 (2.15085e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427317 (1.26649e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863346 (5.29674e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697915 (1.5537e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656115 (3.92579e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064751580642666 (1.26311e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.064751580638184 (4.2094e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636458 (1.6212e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635713 (6.99656e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.11437797546386719 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 10 iterations. iteration 1: trace = 1.083139123992332 (4.15252% change) linmin: converged after 5 iterations. iteration 2: trace = 1.067759464050377 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847689 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359693045 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753355 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.05451570710273 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517808 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.05401502612871 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710523 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348825 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) linmin: converged after 13 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385469 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722953 (9.07699e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.0539010423296 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387604 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297731 (1.33693e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619983 (7.28507e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320622 (5.02833e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123129 (2.0851e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524412 (5.68096e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053900986366483 (1.49853e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325057 (3.93073e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.05390098631045 (1.38595e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.053900986303705 (6.4005e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.053900986300586 (2.95933e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053900986298913 (1.58733e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053900986298101 (7.70276e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.28997802734375 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 1.065595398928638 (3.90048% change) linmin: converged after 10 iterations. iteration 2: trace = 1.055450127301297 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005027 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423635596 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863641 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910637 (0.0067956% change) linmin: converged after 6 iterations. iteration 7: trace = 1.050776389407951 (0.00415403% change) linmin: converged after 3 iterations. iteration 8: trace = 1.050735518700089 (0.00388965% change) linmin: converged after 5 iterations. iteration 9: trace = 1.050712406629304 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182157 (0.000833861% change) linmin: converged after 6 iterations. iteration 11: trace = 1.050700527947592 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774886 (9.47152e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.050699177150716 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583432 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022339 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444909 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362368 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05069895675734 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164585 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594421 (5.42652e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368865 (2.14673e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52175e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.050698954069499 (1.32745e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980487 (8.47169e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.050698953945815 (3.29984e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935615 (9.70831e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.050698953931684 (3.74118e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929972 (1.62893e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 1.050698953929235 (7.02251e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.24291276931762695 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873553 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383156 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860835 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 4 iterations. iteration 14: trace = 1.0740142217956 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483327 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 5 iterations. iteration 17: trace = 1.074006542454387 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701046233 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054646416 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865047087 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051814028 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930253217 (0.00215325% change) linmin: converged after 10 iterations. iteration 23: trace = 1.073765951854456 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099860138 (0.00184884% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549588458 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.073706652603742 (0.00185309% change) linmin: converged after 6 iterations. iteration 27: trace = 1.073686047966421 (0.00191904% change) linmin: converged after 6 iterations. iteration 28: trace = 1.073664807416834 (0.0019783% change) linmin: converged after 4 iterations. iteration 29: trace = 1.073643487495667 (0.00198573% change) linmin: converged after 6 iterations. iteration 30: trace = 1.073622932948062 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845244766 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422494262 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.073570337515781 (0.00149826% change) linmin: converged after 4 iterations. iteration 34: trace = 1.073554964133572 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629030023 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.073523800476235 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721905162 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489949913865 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300629322 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608019516 (0.00164818% change) linmin: converged after 5 iterations. iteration 41: trace = 1.073437013828229 (0.00163904% change) linmin: converged after 5 iterations. iteration 42: trace = 1.073419363942593 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253191454 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150195075 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.073361544198039 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086794205 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699796275 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605795537 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255658797 (0.00254829% change) linmin: converged after 5 iterations. iteration 50: trace = 1.073233183557536 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865296414 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643511875 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730702852 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259152683 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094338511955 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.07306809496856 (0.00244563% change) linmin: converged after 4 iterations. iteration 57: trace = 1.073042682876337 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018272479906 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024545216 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064424986 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465153288 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243592049 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368169544 (0.00166605% change) linmin: converged after 5 iterations. iteration 64: trace = 1.072898773417836 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375846549 (0.00143515% change) linmin: converged after 4 iterations. iteration 66: trace = 1.072869086925411 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855820948222 (0.0012365% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843497479269 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039536612 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 5 iterations. iteration 70: trace = 1.072198123222229 (0.0591056% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07134711808592 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541462636204 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830379659 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879036915 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565047892 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.06958204121485 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034283 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886834971 (0.000175603% change) linmin: converged after 4 iterations. iteration 79: trace = 1.069568934568026 (8.90327e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381281 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275015 (3.86236e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.06956778417198 (1.87088e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 1.069567559606762 (2.09959e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 1.069567395325875 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689847 (1.08115e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567202427431 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735025 (7.35741e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 1.069566990371044 (1.2469e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 1.069566806433107 (1.71974e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 1.069566611503709 (1.82251e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 1.069566258366281 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649806524 (5.68978e-05% change) large trace change predicted (0.000165075%) linmin: converged after 5 iterations. iteration 93: trace = 1.069563887331198 (0.000164784% change) large trace change predicted (0.000584339%) linmin: converged after 5 iterations. iteration 94: trace = 1.069557815153178 (0.000567726% change) large trace change predicted (0.00612952%) linmin: converged after 7 iterations. iteration 95: trace = 1.0695318393753 (0.00242868% change) linmin: converged after 6 iterations. iteration 96: trace = 1.069511579760979 (0.00189427% change) linmin: converged after 7 iterations. iteration 97: trace = 1.069496499929513 (0.00140998% change) linmin: converged after 6 iterations. iteration 98: trace = 1.069483717208566 (0.00119522% change) linmin: converged after 8 iterations. iteration 99: trace = 1.069471278002454 (0.00116311% change) linmin: converged after 6 iterations. iteration 100: trace = 1.069459234328299 (0.00112614% change) linmin: converged after 8 iterations. iteration 101: trace = 1.069448851818544 (0.000970823% change) linmin: converged after 6 iterations. iteration 102: trace = 1.069440423652579 (0.000788088% change) linmin: converged after 7 iterations. iteration 103: trace = 1.069433417062416 (0.000655166% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427352560829 (0.000567078% change) linmin: converged after 5 iterations. iteration 105: trace = 1.069421992889284 (0.000501173% change) linmin: converged after 5 iterations. iteration 106: trace = 1.069417238258524 (0.000444599% change) linmin: converged after 6 iterations. iteration 107: trace = 1.069413022711929 (0.000394192% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409272903281 (0.000350642% change) linmin: converged after 5 iterations. iteration 109: trace = 1.069405909086114 (0.00031455% change) linmin: converged after 9 iterations. iteration 110: trace = 1.069402857543029 (0.00028535% change) linmin: converged after 6 iterations. iteration 111: trace = 1.069400058789466 (0.000261712% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397468893129 (0.000242182% change) linmin: converged after 5 iterations. iteration 113: trace = 1.069395056336093 (0.0002256% change) linmin: converged after 5 iterations. iteration 114: trace = 1.069392796769096 (0.000211294% change) linmin: converged after 4 iterations. iteration 115: trace = 1.069390669235911 (0.000198948% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388653020932 (0.000188539% change) linmin: converged after 5 iterations. iteration 117: trace = 1.069386726767586 (0.000180127% change) linmin: converged after 5 iterations. iteration 118: trace = 1.06938486864618 (0.000173756% change) linmin: converged after 7 iterations. iteration 119: trace = 1.069383057624751 (0.000169352% change) linmin: converged after 6 iterations. iteration 120: trace = 1.069381274636213 (0.000166731% change) linmin: converged after 6 iterations. iteration 121: trace = 1.069379503886843 (0.000165586% change) linmin: converged after 6 iterations. iteration 122: trace = 1.069377733784665 (0.000165526% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375957626534 (0.000166093% change) linmin: converged after 5 iterations. iteration 124: trace = 1.069374173676397 (0.000166822% change) linmin: converged after 6 iterations. iteration 125: trace = 1.069372384828548 (0.00016728% change) linmin: converged after 6 iterations. iteration 126: trace = 1.069370597594982 (0.000167129% change) linmin: converged after 3 iterations. iteration 127: trace = 1.069368820817571 (0.000166152% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367064200896 (0.000164267% change) linmin: converged after 7 iterations. iteration 129: trace = 1.069365336945035 (0.000161521% change) linmin: converged after 5 iterations. iteration 130: trace = 1.069363646696952 (0.000158061% change) linmin: converged after 5 iterations. iteration 131: trace = 1.069361998925969 (0.000154089% change) linmin: converged after 6 iterations. iteration 132: trace = 1.069360396730828 (0.000149827% change) linmin: converged after 7 iterations. iteration 133: trace = 1.069358841023606 (0.00014548% change) linmin: converged after 7 iterations. iteration 134: trace = 1.069357330847907 (0.000141223% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355864006598 (0.00013717% change) linmin: converged after 4 iterations. iteration 136: trace = 1.069354437526572 (0.000133396% change) linmin: converged after 5 iterations. iteration 137: trace = 1.069353048109181 (0.000129931% change) linmin: converged after 3 iterations. iteration 138: trace = 1.069351692610627 (0.000126759% change) linmin: converged after 5 iterations. iteration 139: trace = 1.069350368293581 (0.000123843% change) resetting CG direction... large trace change predicted (0.0145453%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194675254351 (0.0145607% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117230253728 (0.00724356% change) linmin: converged after 3 iterations. iteration 142: trace = 1.06907543477742 (0.00390942% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028116200702 (0.00442622% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963765860093 (0.0060197% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914036709401 (0.0046522% change) linmin: converged after 5 iterations. iteration 146: trace = 1.068856703439897 (0.00536384% change) linmin: converged after 7 iterations. iteration 147: trace = 1.068800660800506 (0.00524337% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757374201714 (0.0040501% change) linmin: converged after 5 iterations. iteration 149: trace = 1.068717416830468 (0.00373875% change) linmin: converged after 5 iterations. iteration 150: trace = 1.068678930702913 (0.00360122% change) linmin: converged after 3 iterations. iteration 151: trace = 1.06865468902115 (0.0022684% change) linmin: converged after 3 iterations. iteration 152: trace = 1.068642740734154 (0.00111807% change) linmin: converged after 3 iterations. iteration 153: trace = 1.068637177274113 (0.000520611% change) linmin: converged after 4 iterations. iteration 154: trace = 1.068633794922339 (0.000316511% change) linmin: converged after 7 iterations. iteration 155: trace = 1.06863106225878 (0.000255716% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628610397833 (0.00022944% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627264760187 (0.000125922% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757593553 (4.74596e-05% change) linmin: converged after 2 iterations. iteration 159: trace = 1.068626630692736 (1.18751e-05% change) linmin: converged after 6 iterations. iteration 160: trace = 1.06862659818787 (3.04174e-06% change) linmin: converged after 7 iterations. iteration 161: trace = 1.068626583524319 (1.37219e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572372177 (1.0436e-06% change) linmin: converged after 17 iterations. iteration 163: trace = 1.068626562833234 (8.92636e-07% change) linmin: converged after 4 iterations. iteration 164: trace = 1.068626555544765 (6.82041e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.068626551016004 (4.23793e-07% change) linmin: converged after 18 iterations. iteration 166: trace = 1.068626547261434 (3.51345e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545003543 (2.11289e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 1.068626543627342 (1.28782e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 1.068626542452444 (1.09945e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540770191 (1.57422e-07% change) large trace change predicted (3.15125e-07%) linmin: converged after 3 iterations. iteration 171: trace = 1.068626537403159 (3.1508e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533718485 (3.44805e-07% change) linmin: converged after 5 iterations. iteration 173: trace = 1.068626531659319 (1.92693e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530813899 (7.91128e-08% change) linmin: converged after 4 iterations. iteration 175: trace = 1.068626530493501 (2.99822e-08% change) linmin: converged after 8 iterations. iteration 176: trace = 1.068626530327915 (1.54952e-08% change) linmin: converged after 7 iterations. iteration 177: trace = 1.068626530255735 (6.75449e-09% change) linmin: converged after 8 iterations. iteration 178: trace = 1.068626530159325 (9.02182e-09% change) large trace change predicted (2.1269e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.06862652993207 (2.12661e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 1.06862652955126 (3.56355e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 1.068626528972186 (5.41886e-08% change) linmin: converged after 13 iterations. iteration 182: trace = 1.068626528427956 (5.0928e-08% change) linmin: converged after 4 iterations. iteration 183: trace = 1.068626527725372 (6.57464e-08% change) linmin: converged after 17 iterations. iteration 184: trace = 1.068626526903829 (7.68784e-08% change) linmin: converged after 5 iterations. iteration 185: trace = 1.068626526188851 (6.69063e-08% change) linmin: converged after 22 iterations. iteration 186: trace = 1.068626525702495 (4.55123e-08% change) linmin: converged after 7 iterations. iteration 187: trace = 1.068626525446816 (2.39259e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 1.068626525377523 (6.48431e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351376 (2.44673e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.068626525337289 (1.31829e-09% change) linmin: converged after 5 iterations. iteration 191: trace = 1.068626525323919 (1.25109e-09% change) linmin: converged after 5 iterations. iteration 192: trace = 1.068626525309889 (1.31289e-09% change) linmin: converged after 3 iterations. iteration 193: trace = 1.068626525301902 (7.47403e-10% change) linmin: converged after 3 iterations. iteration 194: trace = 1.068626525299489 (2.25842e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298474 (9.49993e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 1.4533374309539795 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739673433 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277204076 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957258274913 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734906971 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252406284 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698394248 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218821799 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739470217 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188248154 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233194 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731402 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608457271 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350200989 (2.40435e-05% change) linmin: converged after 23 iterations. iteration 14: trace = 1.074119193441808 (1.45942e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074119086974381 (9.91207e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 1.074118998456916 (8.24094e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951618436 (4.36064e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564172 (1.96014e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698118 (7.32326e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.07411892043466 (2.10727e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919547777 (8.25684e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877372 (6.24144e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074118918119953 (7.05154e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268398 (7.92794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472551 (7.4093e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915070759 (1.30506e-07% change) large trace change predicted (3.47242e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911340963 (3.47242e-07% change) large trace change predicted (1.06063e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899948507 (1.06063e-06% change) large trace change predicted (3.74565e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859717751 (3.74547e-06% change) large trace change predicted (2.30255e-05%) linmin: converged after 4 iterations. iteration 30: trace = 1.074118613428314 (2.29294e-05% change) near maximum in trace linmin: converged after 16 iterations. iteration 31: trace = 1.074108656698122 (0.000926972% change) linmin: converged after 5 iterations. iteration 32: trace = 1.074107966544532 (6.42536e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 1.07410727472049 (6.44092e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 1.074106574009499 (6.52366e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.074105855523687 (6.68915e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 1.074105112605725 (6.91662e-05% change) linmin: converged after 10 iterations. iteration 37: trace = 1.074104342094742 (7.17352e-05% change) linmin: converged after 8 iterations. iteration 38: trace = 1.0741035448338 (7.42257e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.074102725502528 (7.62805e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101891626886 (7.76347e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101052043556 (7.81661e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100215512912 (7.7882e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 1.074099390029498 (7.68535e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.07409858279094 (7.5155e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 1.074097800360144 (7.28454e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097048603555 (6.99896e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 1.074096332319352 (6.66871e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.074095654755912 (6.30822e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 1.074095017290545 (5.9349e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.074094419421247 (5.56626e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.0740938590551 (5.2171e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 1.074093332969372 (4.89795e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 1.07409283730664 (4.61471e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 1.074092368006907 (4.36927e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 1.074091921153065 (4.16029e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091493108769 (3.98517e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 1.074091080761861 (3.83903e-05% change) linmin: converged after 8 iterations. iteration 58: trace = 1.074090681508481 (3.71713e-05% change) linmin: converged after 9 iterations. iteration 59: trace = 1.074090293246655 (3.6148e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 1.074089914377591 (3.52735e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.07408954373525 (3.45076e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089180545008 (3.38138e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088824311394 (3.31661e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088474770379 (3.2543e-05% change) linmin: converged after 10 iterations. iteration 65: trace = 1.074088131812889 (3.19301e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.074087795424909 (3.13185e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 1.074087465637336 (3.0704e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087142486525 (3.00861e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086825997921 (2.94658e-05% change) resetting CG direction... large trace change predicted (0.00552424%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027485246541 (0.00552492% change) linmin: converged after 5 iterations. iteration 71: trace = 1.073989958737312 (0.00349406% change) linmin: converged after 13 iterations. iteration 72: trace = 1.073965818187449 (0.00224777% change) linmin: converged after 10 iterations. iteration 73: trace = 1.073953308962991 (0.00116478% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950636146785 (0.000248877% change) linmin: converged after 4 iterations. iteration 75: trace = 1.07394945674702 (0.000109819% change) linmin: converged after 4 iterations. iteration 76: trace = 1.073948845911354 (5.68775e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073948013434697 (7.75155e-05% change) linmin: converged after 10 iterations. iteration 78: trace = 1.073947355326739 (6.12793e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 1.073947065924636 (2.69475e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.073946951589583 (1.06462e-05% change) linmin: converged after 7 iterations. iteration 81: trace = 1.07394690485856 (4.35133e-06% change) linmin: converged after 28 iterations. iteration 82: trace = 1.073946875649276 (2.71981e-06% change) linmin: converged after 2 iterations. iteration 83: trace = 1.073946858778201 (1.57094e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850180914 (8.00532e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946845819172 (4.06141e-07% change) linmin: converged after 23 iterations. iteration 86: trace = 1.073946842398289 (3.18534e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946838808701 (3.34243e-07% change) large trace change predicted (7.2606e-07%) linmin: converged after 4 iterations. iteration 88: trace = 1.073946831011176 (7.26062e-07% change) large trace change predicted (1.48005e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815116237 (1.48005e-06% change) large trace change predicted (4.36795e-06%) linmin: converged after 4 iterations. iteration 90: trace = 1.073946768207491 (4.36788e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 1.073946679646164 (8.24634e-06% change) linmin: converged after 11 iterations. iteration 92: trace = 1.073946529630115 (1.39687e-05% change) linmin: converged after 12 iterations. iteration 93: trace = 1.07394636658434 (1.51819e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946256689029 (1.02328e-05% change) linmin: converged after 6 iterations. iteration 95: trace = 1.073946150917233 (9.84889e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946054412507 (8.98599e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 1.073945952991739 (9.44375e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 1.073945869427394 (7.78106e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.073945843514159 (2.4129e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945837383465 (5.70857e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836402172 (9.13727e-08% change) linmin: converged after 5 iterations. iteration 102: trace = 1.073945836058164 (3.20322e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 1.073945835877889 (1.67862e-08% change) linmin: converged after 15 iterations. iteration 104: trace = 1.073945835763829 (1.06206e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 1.073945835716369 (4.41928e-09% change) linmin: converged after 6 iterations. iteration 106: trace = 1.073945835701656 (1.36996e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 1.073945835696756 (4.56248e-10% change) linmin: converged after 5 iterations. iteration 108: trace = 1.073945835694339 (2.25054e-10% change) linmin: converged after 16 iterations. iteration 109: trace = 1.073945835692627 (1.59471e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 1.073945835691451 (1.09477e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690736 (6.6534e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 0.8316891193389893 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.093863490062953 (5.33663% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777423022 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328696936294 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255459858 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171470054 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695734378 (0.00739312% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058827691 (0.005548% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563437612 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338414874 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.07485001295351 (0.000216352% change) linmin: converged after 5 iterations. iteration 11: trace = 1.074849426039992 (5.46042e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 1.074849271420711 (1.43852e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 1.074849229303241 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215176639 (1.31429e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211839921 (3.10436e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210730145 (1.03249e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209956638 (7.19642e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209015939 (8.75192e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207771038 (1.15821e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206713589 (9.83811e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205572246 (1.06186e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203568237 (1.86446e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200243935 (3.09281e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195281871 (4.61652e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189783535 (5.11545e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181226479 (7.96117e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167024555 (1.32129e-06% change) linmin: converged after 26 iterations. iteration 28: trace = 1.074849153567507 (1.25199e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 1.07484914574267 (7.27994e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.07484914229228 (3.21012e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.074849140247109 (1.90275e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.074849138714339 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.07484913790628 (7.51788e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608587 (2.76963e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533781 (6.95967e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 1.074849137516844 (1.57575e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849137512893 (3.67613e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849137511866 (9.55029e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.28838038444519043 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946613632 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337851337 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839444839 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825212561 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827453194 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.0725869933016 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.07244769196964 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266694897 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251703179 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631926419 (0.000803815% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311748191 (0.000402869% change) linmin: converged after 4 iterations. iteration 12: trace = 1.072348215294496 (0.000195501% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072347360457896 (7.97164e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.07234690214512 (4.27392e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.072346623506627 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159297832 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068911444 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995677928 (0.000193337% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903847039 (0.000288325% change) linmin: converged after 23 iterations. iteration 20: trace = 1.072336586525598 (0.000309354% change) linmin: converged after 11 iterations. iteration 21: trace = 1.072331067861508 (0.00051464% change) linmin: converged after 16 iterations. iteration 22: trace = 1.072320822252125 (0.000955457% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842032009 (0.00111723% change) linmin: converged after 9 iterations. iteration 24: trace = 1.072300271285933 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565468 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606445 (8.01046e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653376 (2.17247e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014169118 (6.01366e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072295982384193 (2.96419e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.072295961926063 (1.90788e-06% change) linmin: converged after 3 iterations. iteration 31: trace = 1.07229595065531 (1.05109e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072295945181689 (5.10458e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506738 (2.4946e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072295940840406 (1.55398e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.07229594000241 (7.81497e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.07229593966729 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939535272 (1.23117e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939490483 (4.17695e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.072295939476572 (1.29734e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.072295939472061 (4.20609e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939469519 (2.37141e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.072295939465236 (3.99384e-10% change) large trace change predicted (1.11617e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939453271 (1.11586e-09% change) large trace change predicted (2.52034e-09%) linmin: converged after 3 iterations. iteration 44: trace = 1.072295939426241 (2.52069e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939386517 (3.7046e-09% change) linmin: converged after 2 iterations. iteration 46: trace = 1.072295939340506 (4.29093e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279455 (5.6935e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 1.07229593919474 (7.90033e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 1.072295939101655 (8.68087e-09% change) linmin: converged after 11 iterations. iteration 50: trace = 1.072295939034337 (6.2779e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004894 (2.74586e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 1.072295938995441 (8.81514e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.072295938992627 (2.62466e-10% change) linmin: converged after 2 iterations. iteration 54: trace = 1.072295938991747 (8.20427e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.40953826904296875 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218504587 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358181615 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901353496 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06955351246923 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087283292 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619783253 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139982915 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273148097 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109652197 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047123368 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978800309935 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671401058 (0.000199154% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976061676143 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503847 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616919 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691301347 (5.73592e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 1.068975611585911 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394834 (1.00275e-05% change) linmin: converged after 28 iterations. iteration 19: trace = 1.068975371946819 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238400782 (1.24929e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.068975009008613 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 5 iterations. iteration 22: trace = 1.068974441379593 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 4 iterations. iteration 23: trace = 1.06897323035205 (0.000113289% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971612251336 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673721642 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061792 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206047 (1.42058e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.068970064617408 (7.44536e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.068970000607616 (5.98799e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 1.068969962460862 (3.56855e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599869 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463743 (6.6757e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705116 (3.51612e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325579 (2.22601e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392089 (8.73261e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.068969931132226 (2.43097e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54788e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.068969931043937 (1.71137e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.068969931038528 (5.05981e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 1.068969931036692 (1.71783e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035934 (7.08943e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.3095874786376953 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087103826 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625152661 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623579 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371547756 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421661608 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514105037 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840022479 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016827025 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593737446 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587644159 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06644367200251 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721222995 (0.000276694% change) linmin: converged after 5 iterations. iteration 13: trace = 1.066439849489925 (8.17423e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.066439375228711 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.06643900992587 (3.42544e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 1.066438547202835 (4.33896e-05% change) linmin: converged after 25 iterations. iteration 17: trace = 1.066438083380031 (4.34927e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 1.066437660403118 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091986816 (5.33005e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003249257 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433061003117 (0.000275896% change) linmin: converged after 3 iterations. iteration 22: trace = 1.06642793475905 (0.000480692% change) linmin: converged after 5 iterations. iteration 23: trace = 1.066424326682477 (0.000338333% change) linmin: converged after 14 iterations. iteration 24: trace = 1.066422960610081 (0.000128098% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499818148 (4.32091e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186806159 (2.93516e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052569 (2.77827e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685762265 (1.9201e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 1.066421590549438 (8.92825e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709119 (3.07949e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618909 (1.32126e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537041107 (6.16811e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395652 (2.89247e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532546079 (1.32259e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098712 (4.19503e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981078 (1.10308e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947887 (3.11231e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934603 (1.24569e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.06642153192376 (1.0168e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.066421531913921 (9.22558e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 1.066421531908639 (4.95384e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.06642153190678 (1.74317e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 1.066421531906209 (5.34695e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.32477593421936035 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773523572 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570021082 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947035617 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964033352 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396925658 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989612961 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335041733 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062396949 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443686219 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784325724 (0.000343696% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064703064037169 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652724537 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182180295 (4.41949e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700943595669 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802685182 (1.32347e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064700694070544 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636598651 (5.39794e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617107804 (1.83064e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610383978 (6.31523e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607855536 (2.37479e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06470060562632 (2.09375e-07% change) large trace change predicted (4.79888e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600516941 (4.79889e-07% change) large trace change predicted (1.42404e-06%) linmin: converged after 3 iterations. iteration 23: trace = 1.064700585355235 (1.42403e-06% change) large trace change predicted (2.97931e-06%) linmin: converged after 4 iterations. iteration 24: trace = 1.064700553634983 (2.97927e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.064700526783395 (2.52198e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508728923 (1.69573e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.06470049007232 (1.75229e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06470046670805 (2.19445e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 1.064700446692077 (1.87996e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 1.064700438159558 (8.01401e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712811 (3.23729e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935373 (1.66943e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.064700431874701 (9.96216e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 1.064700431313299 (5.27287e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 1.064700431122869 (1.78857e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069187 (5.04198e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049588 (1.84086e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037439 (1.141e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.06470043102659 (1.01902e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 1.064700431020412 (5.8019e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.064700431018619 (1.68468e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.06470043101822 (3.74975e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.3169381618499756 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350258464 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626710125 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244973315 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593267827 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127994454 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659749782 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318742271 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.06567551063021 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.06561117031351 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512594905 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557364038 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856808036 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821686211 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533865888116 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310008211 (5.21692e-05% change) linmin: converged after 19 iterations. iteration 16: trace = 1.065532898641035 (3.86067e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.065532683274763 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.06553256279527 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.065532411949504 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110049109 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537830224 (5.37027e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301766 (5.44825e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 1.065530503251994 (4.26125e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848639519 (6.14354e-05% change) large trace change predicted (0.000173392%) linmin: converged after 4 iterations. iteration 25: trace = 1.065528002345301 (0.000173275% change) large trace change predicted (0.000909713%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574708514 (0.000884789% change) large trace change predicted (0.00393934%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645435641 (0.00299664% change) linmin: converged after 5 iterations. iteration 28: trace = 1.065452553120126 (0.00319975% change) linmin: converged after 6 iterations. iteration 29: trace = 1.065430692674114 (0.00205177% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419519797684 (0.00104868% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511388109 (0.00065781% change) linmin: converged after 5 iterations. iteration 32: trace = 1.065407624769086 (0.000458661% change) linmin: converged after 9 iterations. iteration 33: trace = 1.065405106225756 (0.000236393% change) linmin: converged after 5 iterations. iteration 34: trace = 1.0654040172277 (0.000102215% change) linmin: converged after 4 iterations. iteration 35: trace = 1.065403611178203 (3.81123e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441814578 (1.58967e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323919896 (1.10657e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.065403209105764 (1.07766e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403107356248 (9.55033e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403054378212 (4.97258e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.065403036005433 (1.72449e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.065403029066158 (6.51329e-07% change) linmin: converged after 10 iterations. iteration 43: trace = 1.065403024635121 (4.15902e-07% change) linmin: converged after 6 iterations. iteration 44: trace = 1.065403021183181 (3.24003e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018967786 (2.0794e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.06540301799757 (9.10656e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.065403017535375 (4.33822e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 1.065403017068308 (4.38395e-08% change) large trace change predicted (8.98767e-08%) linmin: converged after 3 iterations. iteration 49: trace = 1.065403016110758 (8.98767e-08% change) large trace change predicted (2.34674e-07%) linmin: converged after 3 iterations. iteration 50: trace = 1.065403013610528 (2.34675e-07% change) large trace change predicted (5.60902e-07%) linmin: converged after 6 iterations. iteration 51: trace = 1.065403007634617 (5.60906e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 1.065402998314768 (8.74772e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.065402986257841 (1.13168e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 1.065402969168857 (1.60399e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 1.065402943665572 (2.39377e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.065402909795887 (3.17905e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 1.065402880541239 (2.74588e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867303766 (1.24249e-06% change) linmin: converged after 2 iterations. iteration 59: trace = 1.065402862586899 (4.42731e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 1.065402860541348 (1.91998e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 1.065402859235046 (1.22611e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 1.065402858140186 (1.02765e-07% change) linmin: converged after 2 iterations. iteration 63: trace = 1.065402857385623 (7.08243e-08% change) linmin: converged after 16 iterations. iteration 64: trace = 1.065402857036981 (3.27239e-08% change) linmin: converged after 16 iterations. iteration 65: trace = 1.065402856879801 (1.47532e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.06540285678336 (9.05199e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.065402856698797 (7.93723e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628575 (6.59115e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 1.06540285659135 (3.49397e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578422 (1.21338e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 1.065402856572637 (5.43064e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 1.065402856570892 (1.6373e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.06540285657011 (7.3445e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5468101501464844 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652985933632 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114035257 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314063993459 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800077804152 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864884740296 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077286103 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167245134 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293496419 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369857015 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196440771 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299013849 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686886075716 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05764371827619 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094505351 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169313476 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843559645 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897778592 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493139453 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622004361 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.05754621327995 (0.000133207% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647266108 (5.35214e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.057545445060952 (1.91202e-05% change) linmin: converged after 17 iterations. iteration 23: trace = 1.057545346459636 (9.3236e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057545294682121 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741636 (2.16922e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910935 (8.35019e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259833991 (7.56607e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.057545259398532 (4.11764e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 1.057545259108186 (2.74547e-08% change) linmin: converged after 10 iterations. iteration 31: trace = 1.057545258933647 (1.65041e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.057545258873734 (5.66527e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 1.057545258854835 (1.78709e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 1.057545258846099 (8.26118e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 1.057545258839641 (6.10633e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 1.057545258833264 (6.02949e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.057545258828682 (4.3332e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.057545258826098 (2.44333e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824423 (1.58354e-10% change) linmin: converged after 5 iterations. iteration 40: trace = 1.057545258822975 (1.36937e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.057545258821918 (9.9984e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.3097963333129883 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264383683378 (0.453576% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266104058 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550828425 (0.0448514% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507881569 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772275293 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04877245532582 (0.00670447% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914208286 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582044645 (0.00041308% change) linmin: converged after 4 iterations. iteration 9: trace = 1.048741973643088 (0.000248717% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250629304 (0.000164294% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772936668 (0.000140902% change) linmin: converged after 6 iterations. iteration 12: trace = 1.048738138350181 (6.05095e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951017005 (1.78627e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879513113 (6.81809e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847274543 (3.07404e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823439024 (2.27278e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805840767 (1.67804e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790464287 (1.46619e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.048737774171443 (1.55357e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760565606 (1.29735e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.048737751887204 (8.27509e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.048737748310937 (3.41007e-07% change) linmin: converged after 20 iterations. iteration 23: trace = 1.048737746988563 (1.26092e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414585 (5.47304e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162664 (2.40214e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.048737746020625 (1.35438e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965862 (5.22177e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.048737745951455 (1.37378e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.048737745947921 (3.37004e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 1.048737745947218 (6.699e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.22809815406799316 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367081 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363824 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155789 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533035 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545414 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330498 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368647 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612427 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.042062887047469 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967667 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339079 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662522 (0.000111671% change) linmin: converged after 4 iterations. iteration 13: trace = 1.042055457699181 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980347 (9.76137e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293896 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547851 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398364 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630034 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138578 (2.3503e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.042055207018134 (1.30175e-06% change) linmin: converged after 22 iterations. iteration 22: trace = 1.042055201090032 (5.68886e-07% change) linmin: converged after 30 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.042055198377252 (6.88297e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125169 (2.4191e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991546 (1.2823e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39612e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900922 (2.30053e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055197891546 (8.99766e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887333 (4.04304e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 1.042055197884501 (2.71745e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.042055197882747 (1.68378e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.04205519788213 (5.92372e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.2502100467681885 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04058396714268 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444636 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501656240234 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296821 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983722 (0.00270308% change) linmin: converged after 6 iterations. iteration 6: trace = 1.039389236782874 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080391 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.03937250860792 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584158 (0.000657998% change) linmin: converged after 4 iterations. iteration 10: trace = 1.039358797682225 (0.000661165% change) linmin: converged after 5 iterations. iteration 11: trace = 1.039351522033718 (0.000700016% change) linmin: converged after 11 iterations. iteration 12: trace = 1.039347743030296 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568471 (0.000109632% change) linmin: converged after 4 iterations. iteration 14: trace = 1.039346252827014 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.03934615166332 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166363 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762976 (4.27224e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.039346002477123 (5.22308e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 1.039345931774672 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.039345797360598 (6.37384e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.039345749422771 (4.61231e-06% change) linmin: converged after 12 iterations. iteration 23: trace = 1.03934572407996 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972816 (1.35731e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345701605023 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151118 (6.20958e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963402 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283837 (4.66846e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73676e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033776 (6.69189e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 1.039345690011566 (2.13694e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.039345690005518 (5.81888e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.039345690002446 (2.95569e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999084 (3.23449e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.039345689993936 (4.95322e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.039345689988247 (5.47428e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 1.039345689985423 (2.71727e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.039345689984556 (8.33405e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.29488158226013184 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161722784 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242541704 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793084914 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147669495 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655684328 (0.00187129% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041610029147031 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957216157 (0.00250307% change) linmin: converged after 5 iterations. iteration 8: trace = 1.041547309523958 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030684974 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060956518 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.04116469868315 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772943269 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951208425 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073106839 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096986957 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753135 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294595 (0.000222547% change) linmin: converged after 5 iterations. iteration 18: trace = 1.040880129419154 (0.000166001% change) linmin: converged after 5 iterations. iteration 19: trace = 1.040878846929637 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104806 (5.42642e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.040878051081444 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535598 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.04087791382365 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748273 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.040877888402709 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210226 (8.83147e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 1.040877861806184 (1.67205e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 1.040877831116796 (2.94841e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.040877780705331 (4.84317e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 1.040877720799278 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373299 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.04087763683477 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021508 (8.46714e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968478 (2.93313e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448808 (1.45999e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408122 (9.99815e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570131 (8.05081e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105963 (4.45939e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 1.040877620899657 (1.98204e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810268 (8.58782e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768389 (4.02347e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.04087762074268 (2.46996e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.040877620722485 (1.94014e-09% change) linmin: converged after 6 iterations. iteration 44: trace = 1.040877620697879 (2.36395e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655525 (4.0691e-09% change) large trace change predicted (8.31704e-09%) linmin: converged after 20 iterations. iteration 46: trace = 1.040877620568959 (8.31662e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412687 (1.50134e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 1.040877620260931 (1.45796e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 1.040877620187648 (7.04052e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163347 (2.33464e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 1.040877620156024 (7.03587e-10% change) linmin: converged after 6 iterations. iteration 52: trace = 1.040877620153321 (2.59658e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 1.040877620151858 (1.40581e-10% change) linmin: converged after 2 iterations. iteration 54: trace = 1.040877620150958 (8.64177e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.40569424629211426 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905206 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080566 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729925 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254674 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198107 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898853 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.595838685692698 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080566) to band 3 (0.44237076681729925), 10.869497799551292% total elapsed time for run: 10.861451148986816 done /tmp/meepFBAM2J/test_diamond-0: 10.87s /tmp/meepFBAM2J/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0031147003173828125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 15.010498021346 (194.322% change) linmin: converged after 10 iterations. iteration 2: trace = 6.706692165762185 (76.4722% change) linmin: converged after 5 iterations. iteration 3: trace = 5.931553794782948 (12.2665% change) linmin: converged after 5 iterations. iteration 4: trace = 5.6626353420037 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.527372289713447 (2.41757% change) linmin: converged after 9 iterations. iteration 6: trace = 5.474817264686457 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710787579 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006417282 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735002818 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793421508 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.4326292019378 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964487992 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964019358 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252890605 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096366349 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783177259 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499317009 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004383361 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213034 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232372 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533288641 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261772 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414579782587724 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159788051 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.41453770936717 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428772 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097875 (0.000191565% change) linmin: converged after 5 iterations. iteration 28: trace = 5.414506000595689 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958568 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822161 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585159968 (0.000143553% change) linmin: converged after 4 iterations. iteration 32: trace = 5.414473688675649 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062535 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517081 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896522 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684608 (1.16746e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.414470802007637 (5.29636e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 5.414470781361678 (3.81311e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 5.414470762077166 (3.56166e-07% change) linmin: converged after 20 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667675 (3.45714e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127531 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366221 (2.35689e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 5.414470683200209 (1.87756e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912604 (1.53064e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970536 (9.12752e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695277 (4.20218e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 5.414470666815672 (1.62454e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 5.414470666454856 (6.66391e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309422 (2.68604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257191 (9.64641e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225628 (5.82941e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199074 (4.90424e-10% change) linmin: converged after 16 iterations. iteration 54: trace = 5.414470666173623 (4.70067e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 5.414470666149845 (4.39146e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 5.414470666128747 (3.89656e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 5.414470666110463 (3.37688e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093909 (3.0575e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 5.41447066608077 (2.42661e-10% change) linmin: converged after 6 iterations. iteration 60: trace = 5.414470666072175 (1.58739e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.16669321060180664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.41403420081913 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431346 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235943 (0.116695% change) linmin: converged after 8 iterations. iteration 4: trace = 5.385733021260244 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764185888 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308347506 (0.00507812% change) linmin: converged after 3 iterations. iteration 7: trace = 5.384742385264802 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.384707331033317 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.38469712543302 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738827012 (4.4322e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.384693738418333 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474304 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290619 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19546e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.384693227539165 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657309 (9.06617e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.384693220298978 (4.37969e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.384693219444983 (1.58597e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 5.384693219150676 (5.46564e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100488 (9.32038e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.384693219085559 (2.77256e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.07954716682434082 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708016967 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.34722213506751 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037295 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997323115 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076779406 (0.0019817% change) linmin: converged after 3 iterations. iteration 6: trace = 5.344849146440733 (0.000559983% change) linmin: converged after 22 iterations. iteration 7: trace = 5.344835115273662 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084766 (9.83976e-05% change) linmin: converged after 10 iterations. iteration 9: trace = 5.344828194804581 (3.1082e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.34482778191428 (7.72504e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 5.344827673972688 (2.01955e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.344827628371226 (8.53189e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34482761778566 (1.98053e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.344827614523979 (6.1025e-08% change) linmin: converged after 15 iterations. iteration 15: trace = 5.344827613901673 (1.16431e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.344827613761431 (2.62389e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731026 (5.68868e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.344827613719946 (2.07304e-10% change) linmin: converged after 7 iterations. iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.06921029090881348 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320235624 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355250337 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635047892 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678894591 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699653032 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391909682 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504789 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683688 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811745 (2.36636e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 5.332538862039456 (3.91506e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 5.332538810551377 (9.65545e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.332538790057334 (3.84321e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.332538782348786 (1.44557e-07% change) linmin: converged after 11 iterations. iteration 14: trace = 5.332538778533824 (7.15412e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.33253877716299 (2.5707e-08% change) linmin: converged after 26 iterations. iteration 16: trace = 5.332538776748035 (7.78157e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.332538776643096 (1.9679e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.33253877660365 (7.39719e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.332538776587458 (3.03652e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581433 (1.12976e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.07610177993774414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432914471 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.35681496597751 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997895033 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701676444 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600391805 (0.00848364% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473034 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551781 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977405 (0.000377464% change) linmin: converged after 3 iterations. iteration 9: trace = 5.352160538189254 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103698383 (8.28543e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779187 (4.54194e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.352152330741596 (2.50747e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.35215188575005 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938054 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468186 (9.42983e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.352151666678834 (2.76325e-07% change) linmin: converged after 16 iterations. iteration 17: trace = 5.352151661664975 (9.36793e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840976 (3.40797e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.35215165933784 (9.40062e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154265 (3.42994e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.352151659081809 (1.35377e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049177 (6.09693e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.352151659038401 (2.01345e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.08659720420837402 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214230133 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985673 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869995439 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420763032 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128030709 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882337 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031405 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374350685 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794407 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587783547 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343263 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.3782175387905 (0.000383575% change) linmin: converged after 6 iterations. iteration 13: trace = 5.378209482090192 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014855 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789658 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.378205024912403 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150022 (3.11672e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.378205002382006 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047539 (9.91868e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784511 (7.92649e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.378204989224097 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266805 (3.6393e-08% change) linmin: converged after 17 iterations. iteration 26: trace = 5.378204986560163 (1.3139e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 5.378204986365555 (3.61845e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 5.378204986298523 (1.24636e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.378204986252788 (8.50376e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.37820498622292 (5.55363e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206847 (2.98845e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199393 (1.38605e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.378204986194201 (9.65267e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.1182551383972168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784984 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.29404612333864 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234180934 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119399746 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824734812 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018346 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590548 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052713 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428478 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890185 (0.000117924% change) linmin: converged after 3 iterations. iteration 11: trace = 5.280992817488488 (4.23102e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892319 (1.6315e-05% change) linmin: converged after 8 iterations. iteration 13: trace = 5.280991779814332 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376504 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857131 (2.18129e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.280991716887279 (5.62366e-08% change) linmin: converged after 28 iterations. iteration 17: trace = 5.280991715662336 (2.31953e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.280991715170658 (9.31033e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.280991714932153 (4.5163e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.280991714863475 (1.30047e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843208 (3.83779e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 5.280991714835511 (1.45748e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829545 (1.12969e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.280991714822687 (1.29872e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.28099171481807 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.09027981758117676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281905371 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367542724 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.122357731850104 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238796 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726682798 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069779 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740887 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676667 (0.000159839% change) linmin: converged after 6 iterations. iteration 9: trace = 5.121437287250298 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310326 (9.33215e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.121436715075805 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.1214366855107 (5.77281e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.121436680112657 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590915 (2.97132e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180302 (8.01753e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101738 (1.53404e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.1214366780824 (3.77578e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.121436678073881 (1.66348e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060031 (2.7042e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.121436678042873 (3.35037e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033497 (1.83066e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.121436678029987 (6.8537e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.07945728302001953 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457157 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163390585 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812258216 (0.0144763% change) linmin: converged after 4 iterations. iteration 4: trace = 4.989343647112834 (0.00341051% change) linmin: converged after 3 iterations. iteration 5: trace = 4.989291241668816 (0.00105035% change) linmin: converged after 5 iterations. iteration 6: trace = 4.989274244813382 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671027 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922126 (3.38677e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.989265604082178 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.989265515601312 (1.77342e-06% change) linmin: converged after 19 iterations. iteration 11: trace = 4.989265501206923 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708839 (9.01552e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.989265495704011 (2.01398e-08% change) linmin: converged after 21 iterations. iteration 14: trace = 4.989265495448894 (5.11331e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 4.989265495393171 (1.11687e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 4.989265495383631 (1.91209e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381124 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.07270956039428711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536844211 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118934637 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641584239 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816827293 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084889064 (0.000504114% change) linmin: converged after 14 iterations. iteration 6: trace = 4.90600738959164 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953579 (3.16885e-05% change) linmin: converged after 21 iterations. iteration 8: trace = 4.906005406698485 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385232 (3.10463e-06% change) linmin: converged after 18 iterations. iteration 10: trace = 4.906005216417528 (7.73903e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.906005209418575 (1.42661e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.906005206803123 (5.33112e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252121 (1.12312e-08% change) linmin: converged after 15 iterations. iteration 14: trace = 4.906005206142125 (2.24206e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.906005206125053 (3.47993e-10% change) linmin: converged after 8 iterations. iteration 16: trace = 4.906005206120705 (8.86186e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.05886530876159668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825184451 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626561798 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752866675 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496002 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932666951 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735246 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798982 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093842 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075416 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591742 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070434 (2.49875e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.877776571775754 (6.04129e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.877776571718371 (1.17641e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 4.877776571708919 (1.93777e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.877776571705258 (7.50562e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.058342695236206055 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026457 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880211 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362581 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668675 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539686 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844871 (1.02794e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.933541212739493 (1.23752e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751461 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.933541210308102 (8.98663e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.933541210231291 (1.55691e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.933541210216972 (2.90242e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.93354121021467 (4.66634e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.05843710899353027 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.09950711216279 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310897 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632202 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562915948 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953231 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324336 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 5 iterations. iteration 8: trace = 5.086793518222221 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445188 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.086789203381458 (1.60821e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.08678904552023 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806468 (1.05595e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.086788981872509 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939783 (3.7995e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.086788979425329 (1.01135e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.086788979343621 (1.60628e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.086788979319499 (4.7421e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.086788979306894 (2.47799e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.086788979301443 (1.07155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.086788979299675 (3.47464e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.07252001762390137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730342 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324799 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134993 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364312 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518456 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149962 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537655 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730882 (0.00274585% change) linmin: converged after 6 iterations. iteration 9: trace = 5.263272539866859 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021758 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625349 (1.82199e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.263256607031205 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248049 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468796 (3.94798e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.263256521693531 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415705 (3.65701e-08% change) linmin: converged after 18 iterations. iteration 19: trace = 5.263256512765319 (1.23571e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.263256512526155 (4.54404e-09% change) linmin: converged after 17 iterations. iteration 21: trace = 5.263256512381847 (2.74179e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.263256512319999 (1.1751e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.263256512296811 (4.40558e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.263256512290631 (1.17434e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.263256512288835 (3.41214e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.09021449089050293 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127255 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224942905 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703693424 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157768965 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246647 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245635 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967524 (0.00155035% change) linmin: converged after 12 iterations. iteration 8: trace = 5.36296230885997 (0.000888779% change) linmin: converged after 5 iterations. iteration 9: trace = 5.362928148997674 (0.000636961% change) linmin: converged after 3 iterations. iteration 10: trace = 5.362908167194895 (0.000372592% change) linmin: converged after 3 iterations. iteration 11: trace = 5.362897445562917 (0.000199922% change) linmin: converged after 10 iterations. iteration 12: trace = 5.36289083229464 (0.000123315% change) linmin: converged after 11 iterations. iteration 13: trace = 5.362888873060142 (3.65332e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.362888159902996 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137234 (4.19113e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 5.362887877004615 (1.08398e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.362887858604033 (3.4311e-07% change) linmin: converged after 19 iterations. iteration 18: trace = 5.362887851988788 (1.23352e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.362887849877572 (3.93671e-08% change) linmin: converged after 8 iterations. iteration 20: trace = 5.362887849213489 (1.23829e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 5.362887849013022 (3.73805e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 5.362887848952667 (1.12542e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922164 (5.68774e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904127 (3.36332e-10% change) linmin: converged after 16 iterations. iteration 25: trace = 5.362887848892482 (2.17139e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.362887848885797 (1.24659e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.362887848881173 (8.62195e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.09809732437133789 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864450057 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.432871450760013 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.42268849791254 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175639966 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105681037619 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295320584 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173547 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037634 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483996364 (0.000992868% change) linmin: converged after 3 iterations. iteration 10: trace = 5.414576265050929 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861069105 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419970065 (0.000174365% change) linmin: converged after 17 iterations. iteration 13: trace = 5.414537376508578 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.414500553000028 (0.000680088% change) linmin: converged after 7 iterations. iteration 15: trace = 5.414478702494632 (0.000403556% change) linmin: converged after 5 iterations. iteration 16: trace = 5.414472728543718 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.4144713305419 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198768 (8.98228e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354928 (2.30574e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.41447068131429 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480572 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611978 (5.29801e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661455 (1.75552e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362712 (5.51748e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267753 (1.75381e-09% change) linmin: converged after 14 iterations. iteration 26: trace = 5.414470666221955 (8.45829e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.414470666193713 (5.21608e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171704 (4.06486e-10% change) linmin: converged after 13 iterations. iteration 29: trace = 5.414470666155404 (3.01042e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140535 (2.74616e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414470666122158 (3.39411e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.414470666102798 (3.57553e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086904 (2.93562e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414470666075434 (2.11822e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.414470666069082 (1.1732e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 5.414470666066688 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.09967207908630371 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% total elapsed time for run: 1.3792695999145508 done /tmp/meepFBAM2J/test_epsilon_input_file-0: 1.38s /tmp/meepFBAM2J/test_first_brillouin_zone-0 ======================== /tmp/meepFBAM2J/test_first_brillouin_zone-0: 0.12s /tmp/meepFBAM2J/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0002472400665283203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.4811423715298 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 54.7945%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) iteration 6: trace = 83.33333352466074 (7.15943e-06% change) iteration 7: trace = 83.3333333365708 (2.25708e-07% change) iteration 8: trace = 83.33333333338271 (3.82571e-09% change) iteration 9: trace = 83.33333333333447 (5.7895e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.0017971992492675781 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334653 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333383 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0012204647064208984 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.6666666666667 (6.01669e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.00021195411682128906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0002033710479736328 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00022459030151367188 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 47 iterations. iteration 1: trace = 91.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0005266666412353516 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 62.3932%) iteration 1: trace = 90.66666666672697 (3.571% change) iteration 2: trace = 90.6666672264862 (6.17382e-07% change) iteration 3: trace = 90.66666666666707 (6.17448e-07% change) iteration 4: trace = 90.66666666666671 (3.91843e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.00042819976806640625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.00020194053649902344 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 55.3398%) iteration 1: trace = 92.66666666666669 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.00023627281188964844 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 56.8627%) iteration 1: trace = 95.66666666666669 (2.97091e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00023436546325683594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 45 iterations. iteration 1: trace = 99.99999999999999 (2.84217e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.0005071163177490234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (1.55593e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.00020575523376464844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.6882%) iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0002295970916748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 51.0417%) iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0002269744873046875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 54.3478%) iteration 1: trace = 81.33333333333333 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.00022935867309570312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 83.33333333333331 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0001800060272216797 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.007491111755371094 done /tmp/meepFBAM2J/test_fractional_lattice-0: 0.01s /tmp/meepFBAM2J/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017638206481933594 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1429154872894287 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.587630033493042 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09328675270080566 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08642053604125977 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10030388832092285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15601873397827148 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1176760196685791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10050725936889648 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0863499641418457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08297157287597656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08250951766967773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06578803062438965 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07579803466796875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10381484031677246 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12133216857910156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25202202796936035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.258134365081787 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepFBAM2J/test_get_bfield-0: 2.26s /tmp/meepFBAM2J/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016415119171142578 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1418149471282959 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4266531467437744 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0935068130493164 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08687663078308105 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1003274917602539 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15612077713012695 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11764717102050781 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10039806365966797 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08618974685668945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0830526351928711 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08276772499084473 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06567144393920898 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07594037055969238 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10435891151428223 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12193942070007324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25220441818237305 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0981523990631104 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 ./tmp/meepFBAM2J/test_get_dfield-0: 2.10s /tmp/meepFBAM2J/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016217231750488281 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14215731620788574 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4267873764038086 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09350466728210449 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0866391658782959 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10043215751647949 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15606188774108887 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11764860153198242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10051417350769043 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663010597229004 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08305120468139648 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08244895935058594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06574225425720215 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07638263702392578 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1583263874053955 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1716938018798828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3236124515533447 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.2745707035064697 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_get_efield-0: 2.28s /tmp/meepFBAM2J/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024001598358154297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.18428325653076172 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696582 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490526 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526946 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966812 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299298 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122106 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56769679186448 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484449 (0.00159761% change) linmin: converged after 4 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766407 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307059 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639377 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003683 (1.09636e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 5.567408898969297 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891888 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106272 (9.6608e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704724673 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925327 (1.58051e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.567408689562775 (1.14282e-07% change) linmin: converged after 20 iterations. iteration 22: trace = 5.567408680883096 (1.55902e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.567408666017618 (2.67009e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087335 (3.75943e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756644 (5.4479e-07% change) large trace change predicted (2.01094e-06%) linmin: converged after 4 iterations. iteration 26: trace = 5.567408502814525 (2.01067e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934810359823 (0.00850867% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934505159929 (5.48237e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 5.566934199943775 (5.48266e-06% change) linmin: converged after 7 iterations. iteration 30: trace = 5.56693389481052 (5.48117e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.566933589846162 (5.47814e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933285124756 (5.47377e-06% change) linmin: converged after 9 iterations. iteration 33: trace = 5.566932980709135 (5.46828e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932676621887 (5.46238e-06% change) linmin: converged after 15 iterations. iteration 35: trace = 5.566932372966671 (5.45462e-06% change) linmin: converged after 7 iterations. iteration 36: trace = 5.566932069727256 (5.44715e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.56693176697333 (5.43843e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693146470438 (5.42972e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931162934921 (5.42075e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930861654382 (5.41197e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.566930560905994 (5.40241e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930260670055 (5.3932e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566929960942561 (5.38407e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.566929661716138 (5.37507e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929362952369 (5.36676e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929064694512 (5.35767e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928766875275 (5.34979e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928469525604 (5.34136e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.56692817259577 (5.33382e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.56692787607921 (5.32639e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692757994756 (5.31948e-06% change) linmin: converged after 7 iterations. iteration 52: trace = 5.566927284178287 (5.31297e-06% change) linmin: converged after 10 iterations. iteration 53: trace = 5.566926988731351 (5.30718e-06% change) linmin: converged after 15 iterations. iteration 54: trace = 5.566926693615613 (5.30123e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.56692639877607 (5.29627e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 5.566926104215404 (5.29126e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.566925809894014 (5.28696e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925515775385 (5.28332e-06% change) linmin: converged after 11 iterations. iteration 59: trace = 5.566925221854762 (5.27977e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924928095346 (5.27687e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924634462735 (5.27459e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924340939635 (5.27263e-06% change) linmin: converged after 7 iterations. iteration 63: trace = 5.56692404750644 (5.27101e-06% change) linmin: converged after 23 iterations. iteration 64: trace = 5.566923754129689 (5.27e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923460778015 (5.26955e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923167431536 (5.26945e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922874064527 (5.26982e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 5.566922580655327 (5.27058e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 5.566922287171046 (5.27193e-06% change) resetting CG direction... large trace change predicted (0.0754188%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718512782029 (0.075542% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516076385325 (0.0575862% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556791790405083 (0.0490142% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554010353428814 (0.0500673% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552005582857545 (0.0361024% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550547712228479 (0.0262619% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549457268880531 (0.0196476% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548473999494187 (0.0177199% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114264378192 (0.0245095% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545235393501411 (0.0338769% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543228109084729 (0.0362049% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884091982618 (0.024249% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541239968218262 (0.0116235% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832071170986 (0.00736139% change) linmin: converged after 4 iterations. iteration 84: trace = 5.540632074196049 (0.00360958% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551195367696 (0.00145975% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517966360051 (0.000599744% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050758501761 (0.000187372% change) linmin: converged after 5 iterations. iteration 88: trace = 5.540503174032403 (7.96134e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.54050151560827 (2.99327e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500784614716 (1.31936e-05% change) linmin: converged after 13 iterations. iteration 91: trace = 5.540500263761089 (9.40084e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 5.54049982753501 (7.87341e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 5.540499525516076 (5.45111e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499204019576 (5.80266e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498783005636 (7.59885e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498244686079 (9.71609e-06% change) linmin: converged after 8 iterations. iteration 97: trace = 5.540497715640619 (9.5487e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529492564 (3.35977e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433083058 (1.74009e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497372993969 (1.08454e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320879106 (9.40617e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282464852 (6.93336e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.540497260411306 (3.98043e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250229082 (1.83778e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245835659 (7.92966e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.54049724429488 (2.78094e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.540497243575158 (1.29902e-08% change) linmin: converged after 15 iterations. iteration 108: trace = 5.540497243249977 (5.86916e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243061477 (3.40222e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 5.540497242956238 (1.89944e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242912883 (7.82521e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242878081 (6.28145e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.540497242842925 (6.34526e-10% change) linmin: converged after 6 iterations. iteration 114: trace = 5.540497242789407 (9.65944e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242722664 (1.20462e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658179 (1.16389e-09% change) linmin: converged after 5 iterations. iteration 117: trace = 5.540497242618782 (7.11072e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597686 (3.8076e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587047 (1.92031e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581502 (1.00079e-10% change) linmin: converged after 5 iterations. iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6616377830505371 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000252259 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.08995e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000416155 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.54618e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.0013508i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081822686 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029228409 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358038294 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093779247 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599955 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472484 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717327 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902817 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643219 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353633 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158968 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.499375016510671 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565689 (8.71826e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.499374947904278 (8.69224e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845085 (1.92602e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72148e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.499374946459589 (2.28834e-09% change) linmin: converged after 18 iterations. iteration 20: trace = 5.499374946407672 (9.44063e-10% change) linmin: converged after 15 iterations. iteration 21: trace = 5.499374946373183 (6.27141e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.499374946309954 (6.07018e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288361 (3.92652e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.499374946279792 (1.5582e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1569063663482666 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.1595e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62507e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.00022e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.35597e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.08219e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.49616707008053 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190713 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948148 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973381 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583483 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149569 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235764 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535459 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740719 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 20 iterations. iteration 14: trace = 5.485459100856755 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.48545909016168 (1.94971e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892922 (1.1428e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.485459081556677 (4.25898e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.485459080639322 (1.67234e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.48545908025817 (6.94841e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162858 (1.73753e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117771 (8.21946e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098437 (3.52457e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091238 (1.31232e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.11758780479431152 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.13082e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 9.88711e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.95405e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -6.49491e-15i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50986e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023693828 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601575505 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987799204 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809300058 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443437179 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668689 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729359 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832038 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535196 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715469 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385451024 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323756 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496837 (4.82858e-05% change) linmin: converged after 7 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.5043624297593 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909878 (8.29627e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.504362102222021 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716718 (1.18185e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750762 (1.34464e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 5.504362092362591 (7.05207e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.50436209212603 (4.2977e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030179 (1.74135e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995303 (6.33608e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.50436209198424 (2.00989e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.16023564338684082 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 4.56352e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -3.04813e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 8.20994e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.08556e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.69128e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373809171 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679615654 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137112 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.55028934317466 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553176633 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597163 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562529 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112738457 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684541 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443713 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.53994911671489 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259862 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189877 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693491 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652981 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689269 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647867 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294861 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295128 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344396 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767448 (3.18796e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460983 (2.49702e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282535843 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565903 (1.55212e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778634 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688565 (2.11411e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 5.538866904154692 (1.5623e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340915 (4.84102e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871036264 (1.13826e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549572 (2.68411e-08% change) linmin: converged after 19 iterations. iteration 33: trace = 5.538866869090082 (8.29574e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883928 (3.72196e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762618 (2.19016e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 5.538866868693111 (1.2549e-09% change) linmin: converged after 14 iterations. iteration 37: trace = 5.538866868641512 (9.31575e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 5.538866868615177 (4.75465e-10% change) linmin: converged after 8 iterations. iteration 39: trace = 5.538866868605617 (1.72589e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600071 (1.00125e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 5.538866868590809 (1.67233e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573494 (3.1261e-10% change) linmin: converged after 14 iterations. iteration 43: trace = 5.538866868559321 (2.55877e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.21492314338684082 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.03732e-12 + 1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by 5.3796e-14 + 1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by -1 + 2.37437e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by -1 + -5.25629e-15i; max ampl. = 4.2595 Fixing h-field (band 8) phase by -6.95505e-13 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033764859 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.4416000819508 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780935425 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922759868 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451089564 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871772 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703261 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600382 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279282 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788511001 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680921 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901312 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.419798149677875 (1.5395e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322979 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.41979774854683 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573565 (1.84015e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735608468 (5.47086e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734089036 (2.80349e-08% change) linmin: converged after 17 iterations. iteration 21: trace = 5.419797733507783 (1.07246e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151182 (2.03849e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102875 (8.91292e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077009 (4.77258e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054169 (4.21409e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.419797733031985 (4.09315e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.419797733016725 (2.81573e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.419797733003427 (2.45356e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989454 (2.57811e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 5.419797732973866 (2.8762e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963326 (1.94456e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.9367995262145996 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -9.57625e-14 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.04973e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by 5.05322e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by -3.73762e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 9.22068e-13i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094051 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170534 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577934 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568209 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212077 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235879626 (0.00400633% change) linmin: converged after 17 iterations. iteration 7: trace = 5.240908449573097 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597347 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765799 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877272 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699077 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786501 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364838 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950743164 (6.91047e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555025 (2.26707e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.240853949031684 (2.81883e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.240853948976927 (1.04481e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939868 (7.07122e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.2408539488835 (1.07554e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.240853948833735 (9.49569e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802547 (5.95084e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778204 (4.64489e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.240853948757241 (3.99988e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.240853948742306 (2.84984e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.24085394873585 (1.23172e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10136151313781738 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by 5.70938e-13 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by 1.93791e-14 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 5.61235e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by -5.8315e-13 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -2.63931e-13i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912779 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052854 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866202 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833601 (0.00623852% change) linmin: converged after 3 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031522 (0.000854589% change) linmin: converged after 7 iterations. iteration 7: trace = 5.096556387466497 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.09654810512098 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.096544340283684 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838803 (9.70165e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659999 (2.58583e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.096544274637574 (5.93034e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956438 (1.33647e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766987 (3.71725e-09% change) linmin: converged after 22 iterations. iteration 17: trace = 5.096544273707483 (1.16753e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88282e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621836 (9.9221e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.096544273547281 (1.46286e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463905 (1.63591e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.096544273426197 (7.39884e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.096544273414498 (2.29549e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.12679457664489746 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 2.83277e-16 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by 8.24069e-13 + -1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 9.83119e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by 1.27348e-11 + 1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + -1.70983e-11i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945950273 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389307009305 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599279913 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313196149 (0.00358098% change) linmin: converged after 8 iterations. iteration 5: trace = 5.006460294302824 (0.00137859% change) linmin: converged after 4 iterations. iteration 6: trace = 5.006443503180899 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863859 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606345235 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310774 (1.27243e-05% change) linmin: converged after 18 iterations. iteration 10: trace = 5.006436638672509 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138784 (1.98812e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318635 (1.79344e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.006436497214729 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812794 (8.02835e-09% change) linmin: converged after 13 iterations. iteration 16: trace = 5.006436496713436 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673629 (7.95122e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632912 (8.13306e-10% change) large trace change predicted (2.20207e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.006436496522667 (2.20205e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.006436496410069 (2.24906e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.006436496357248 (1.05508e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.00643649634443 (2.56016e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1379985809326172 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by -1 + -1.69173e-12i; max ampl. = 1.64641 Fixing h-field (band 5) phase by 6.05644e-15 + -1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by 6.38217e-13 + 1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -3.83599e-15 + -1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + -5.64393e-15i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750395213 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350116369 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668860984 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201928327 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205361087 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191053 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125455 (4.0958e-05% change) linmin: converged after 22 iterations. iteration 8: trace = 4.97598446244914 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964184 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211344 (9.3957e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.975984281705329 (3.92003e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.975984271802615 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162569 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893697 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819593 (1.48924e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774329 (9.09636e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.97598426570684 (1.3563e-09% change) large trace change predicted (3.4883e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533267 (3.48822e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.97598426542687 (2.1382e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393326 (6.74115e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384496 (1.77458e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12860631942749023 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -1.12741e-10i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + 1.67001e-14i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.27634e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -1.93784e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 1.29522e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647620472 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694840728 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796214106 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352526 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550591 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602301 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251284 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323867 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 26 iterations. iteration 11: trace = 5.03637849730083 (1.27317e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.036378484106185 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 5.03637848012837 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44956e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909357 (8.99063e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25132e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.09948945045471191 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -9.49411e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by 2.94781e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -2.77483e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by -3.16986e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + -1.08633e-09i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.21913235216869 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319364 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516376 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118343 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347182 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445572 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211532 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670567 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491536 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192129 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082154 (9.81448e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507296 (3.02475e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 5.206566306040202 (8.97126e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927633 (2.16205e-09% change) linmin: converged after 12 iterations. iteration 19: trace = 5.206566305900049 (5.29796e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893731 (1.21339e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10466384887695312 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by 2.53743e-14 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by 5.3903e-15 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 8.46556e-10 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -1.46167e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.07897e-09i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299449 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812747131 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418965 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552479 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971081 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855458 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333392 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575112 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939795 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895428 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169108 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907005 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745807 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 5.417088812132397 (8.50554e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.417088788744922 (4.31735e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389871 (2.28075e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.417088770680235 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321152 (4.35489e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.417088767370208 (1.75545e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 5.417088766928411 (8.15561e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.417088766681355 (4.56067e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554602 (2.33989e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462994 (1.69109e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 5.417088766423699 (7.25386e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.41708876641256 (2.05637e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1353468894958496 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -3.61395e-15 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 1.35722e-10 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 3.00373e-14 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 7.22546e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 7.18452e-11i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178966252 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902366905 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640700966 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154754 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.52412996609098 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860146 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215829 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379386 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667624 (0.00194077% change) linmin: converged after 5 iterations. iteration 10: trace = 5.522540696465857 (0.00197377% change) linmin: converged after 7 iterations. iteration 11: trace = 5.522446530191621 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.522358366920805 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787116066 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461643 (0.000382933% change) linmin: converged after 4 iterations. iteration 15: trace = 5.522271218167427 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619549674 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291797 (1.19744e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.522267758808093 (3.61235e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 5.522267691563139 (1.21771e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 5.522267667644009 (4.3314e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.522267656937707 (1.93875e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032022 (7.07261e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434978 (4.70286e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 5.522267648929224 (2.7267e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.52226764812226 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457968 (1.20293e-08% change) linmin: converged after 21 iterations. iteration 27: trace = 5.52226764682253 (1.15068e-08% change) linmin: converged after 5 iterations. iteration 28: trace = 5.522267646290366 (9.63669e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965354 (5.88548e-09% change) linmin: converged after 20 iterations. iteration 30: trace = 5.522267645803387 (2.93299e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716794 (1.56807e-09% change) linmin: converged after 13 iterations. iteration 32: trace = 5.522267645679253 (6.79805e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 5.522267645667594 (2.11129e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.18167781829833984 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -1.96012e-14 + 1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -1.73064e-09i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -8.62145e-14 + -1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by -6.00378e-11 + 1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by -1 + -1.49798e-14i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343686153 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468803457 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640948285 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172751885 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736264788 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767956 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897365 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418613 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938949176 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399634 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880777268 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664429506 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253128 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283162064 (0.00806656% change) near maximum in trace linmin: converged after 14 iterations. iteration 15: trace = 5.566399673346653 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201915931 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389178356 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785228282 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.56266800884599 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637722995 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631093034 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618543751 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.55696024491716 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.55578958693094 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798721044623 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114235886 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035979616 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676979562 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838245825 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970061278 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060972303 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956976141 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.5514735904469 (0.00441975% change) linmin: converged after 5 iterations. iteration 34: trace = 5.551249526790848 (0.00403619% change) linmin: converged after 5 iterations. iteration 35: trace = 5.551047677416069 (0.00363617% change) linmin: converged after 5 iterations. iteration 36: trace = 5.550864325188476 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189084933 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717959401 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745028214 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430583462 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903555643 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.55000442186271 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721015 (0.00203534% change) linmin: converged after 7 iterations. iteration 44: trace = 5.549785756757526 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477705529 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.54959723163614 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438068885 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431044415 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300655062 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832009439 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789728103 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393154708 (0.00107036% change) linmin: converged after 4 iterations. iteration 53: trace = 5.549131424712385 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954359294 (0.000945564% change) linmin: converged after 11 iterations. iteration 55: trace = 5.54902921463523 (0.000896364% change) linmin: converged after 4 iterations. iteration 56: trace = 5.548981603661867 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441687392 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438719772 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547255047 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214518713 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940675959 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719294887 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070260372 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460704889 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158058219 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782969059 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723992518 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403459734 (0.000456344% change) linmin: converged after 4 iterations. iteration 69: trace = 5.548522919797842 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 6 iterations. iteration 70: trace = 5.548329976785977 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222557171 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081094981 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373791001 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375773933 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473804 (6.67304e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 5.548141864891585 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837045155 (5.45741e-05% change) linmin: converged after 5 iterations. iteration 78: trace = 5.548134589430296 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746382553 (0.000105316% change) linmin: converged after 6 iterations. iteration 80: trace = 5.548123649319649 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114302 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009803089 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.548118262534494 (1.34689e-05% change) linmin: converged after 12 iterations. iteration 84: trace = 5.548117907882101 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015866 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428173 (2.20953e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 5.548117726415585 (5.42993e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588884 (1.49006e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.54811772537285 (3.89381e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334794 (6.85922e-10% change) linmin: converged after 16 iterations. iteration 92: trace = 5.548117725327052 (1.39547e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32427120208740234 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 1.46285e-09 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 8.44008e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 1.35168e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 5.03314e-11 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + 2.74593e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.496835864744899 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225445 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117835 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069754 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757003 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677103 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585589 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660669 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650205 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421844 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594152 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052694 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% total elapsed time for run: 3.7943921089172363 done /tmp/meepFBAM2J/test_get_eigenvectors-0: 3.82s /tmp/meepFBAM2J/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017254352569580078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.18262195587158203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6155452728271484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.11363482475280762 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1386702060699463 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1554563045501709 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2102346420288086 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.17032408714294434 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.138991117477417 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.10940766334533691 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.10004115104675293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.10111737251281738 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1040506362915039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10631871223449707 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.16072440147399902 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.16162538528442383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.36371612548828125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.9361631870269775 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepFBAM2J/test_get_hfield-0: 2.94s /tmp/meepFBAM2J/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024793148040771484 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.11702942848205566 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.09029197692871094 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.08357715606689453 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.08623838424682617 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.0576930046081543 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.05593562126159668 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.051038503646850586 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.05946969985961914 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.04817533493041992 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.06426835060119629 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.05451035499572754 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.05209159851074219 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.0769510269165039 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.08256864547729492 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.09500837326049805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.07941031455993652 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.1625080108642578 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepFBAM2J/test_handle_cvector-0: 1.20s /tmp/meepFBAM2J/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0034072399139404297 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 46.67690825536697 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192827 (76.4036% change) linmin: converged after 7 iterations. iteration 3: trace = 17.90281367460767 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745359328688 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.5750362373405 (5.44878% change) linmin: converged after 6 iterations. iteration 6: trace = 14.93685931304165 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204238656 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803968889915 (4.36364% change) linmin: converged after 7 iterations. iteration 9: trace = 13.72475703230866 (2.25685% change) linmin: converged after 7 iterations. iteration 10: trace = 13.4449672083815 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.0870945783322 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444592480164 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657794573715 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678335232455 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.817127356126 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216613217043 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973444709829 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959834770915 (4.30853% change) linmin: converged after 6 iterations. iteration 19: trace = 9.946119538511061 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108830354809 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211154753766 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783602261236 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907757286732 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023298863596 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859523338256 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495027457722 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127999012116943 (5.15934% change) linmin: converged after 5 iterations. iteration 28: trace = 6.950727449789542 (2.51829% change) linmin: converged after 6 iterations. iteration 29: trace = 6.788207341134048 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378886500324 (1.85597% change) linmin: converged after 9 iterations. iteration 31: trace = 6.387397232057848 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629971505896 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265325318604 (3.89779% change) linmin: converged after 8 iterations. iteration 34: trace = 5.676181980332874 (2.93511% change) linmin: converged after 7 iterations. iteration 35: trace = 5.533824091957901 (2.53984% change) linmin: converged after 5 iterations. iteration 36: trace = 5.376187992969611 (2.88975% change) linmin: converged after 9 iterations. iteration 37: trace = 5.264316051277635 (2.10276% change) linmin: converged after 7 iterations. iteration 38: trace = 5.138003198273514 (2.42855% change) linmin: converged after 9 iterations. iteration 39: trace = 5.056109244736515 (1.60669% change) linmin: converged after 5 iterations. iteration 40: trace = 4.96640635692655 (1.79003% change) linmin: converged after 5 iterations. iteration 41: trace = 4.865793975441762 (2.04659% change) linmin: converged after 10 iterations. iteration 42: trace = 4.755591673881687 (2.29078% change) linmin: converged after 7 iterations. iteration 43: trace = 4.669631009233785 (1.82406% change) linmin: converged after 6 iterations. iteration 44: trace = 4.618919977696827 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826432308583 (1.30955% change) linmin: converged after 6 iterations. iteration 46: trace = 4.516268882119356 (0.937898% change) linmin: converged after 7 iterations. iteration 47: trace = 4.466856007911902 (1.10013% change) linmin: converged after 5 iterations. iteration 48: trace = 4.402172774800399 (1.45863% change) linmin: converged after 5 iterations. iteration 49: trace = 4.348894252901269 (1.21765% change) linmin: converged after 7 iterations. iteration 50: trace = 4.277264325113683 (1.66076% change) linmin: converged after 6 iterations. iteration 51: trace = 4.218023521151729 (1.39467% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509146446154 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094397865629504 (1.4815% change) linmin: converged after 6 iterations. iteration 54: trace = 4.000042646124126 (2.33136% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502375777396 (1.95746% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850087977642069 (1.86333% change) linmin: converged after 6 iterations. iteration 57: trace = 3.791821624777387 (1.52492% change) linmin: converged after 4 iterations. iteration 58: trace = 3.753050559196221 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648583891644 (0.893974% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349095548178 (0.763716% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517519433416 (0.702244% change) linmin: converged after 6 iterations. iteration 62: trace = 3.642774781668295 (0.622382% change) linmin: converged after 5 iterations. iteration 63: trace = 3.621632100674366 (0.58209% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354196362829 (0.478216% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974644489242 (0.427606% change) linmin: converged after 6 iterations. iteration 66: trace = 3.575630701311873 (0.372496% change) linmin: converged after 5 iterations. iteration 67: trace = 3.563562012836774 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359767065565 (0.343004% change) linmin: converged after 5 iterations. iteration 69: trace = 3.53957597962671 (0.332362% change) resetting CG direction... large trace change predicted (2.94866%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405003635064 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606294579976 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178665740302 (0.938448% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511280245435 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395715525537 (0.576125% change) linmin: converged after 8 iterations. iteration 75: trace = 3.303101951303574 (0.160138% change) linmin: converged after 5 iterations. iteration 76: trace = 3.295500074315358 (0.230409% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073495842476 (0.225609% change) linmin: converged after 5 iterations. iteration 78: trace = 3.281432446120908 (0.202178% change) linmin: converged after 8 iterations. iteration 79: trace = 3.268340887157027 (0.399756% change) linmin: converged after 4 iterations. iteration 80: trace = 3.26333711864942 (0.153215% change) large trace change predicted (0.729754%) linmin: converged after 6 iterations. iteration 81: trace = 3.239916634185125 (0.72027% change) linmin: converged after 5 iterations. iteration 82: trace = 3.220325582509675 (0.606511% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541199516161 (0.678761% change) linmin: converged after 6 iterations. iteration 84: trace = 3.177521855519817 (0.65932% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689262575439 (0.594443% change) linmin: converged after 6 iterations. iteration 86: trace = 3.124351495816897 (1.09303% change) linmin: converged after 5 iterations. iteration 87: trace = 3.115938027466064 (0.26965% change) large trace change predicted (0.805529%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192367895892 (0.79733% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081043061865528 (0.32887% change) linmin: converged after 7 iterations. iteration 90: trace = 3.068577947245625 (0.405395% change) linmin: converged after 4 iterations. iteration 91: trace = 3.058935671134534 (0.314721% change) linmin: converged after 5 iterations. iteration 92: trace = 3.051808416393726 (0.23327% change) linmin: converged after 5 iterations. iteration 93: trace = 3.039400857003012 (0.407392% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435735111632 (0.0976037% change) large trace change predicted (0.289199%) linmin: converged after 5 iterations. iteration 95: trace = 3.027689303568482 (0.288465% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436184437964 (0.0744448% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123331503703 (0.10956% change) linmin: converged after 8 iterations. iteration 98: trace = 3.01955768263848 (0.0849316% change) linmin: converged after 8 iterations. iteration 99: trace = 3.017617428696139 (0.0642769% change) large trace change predicted (0.199214%) linmin: converged after 6 iterations. iteration 100: trace = 3.01170284730482 (0.196194% change) linmin: converged after 6 iterations. iteration 101: trace = 3.008822240665896 (0.0956929% change) large trace change predicted (0.494578%) linmin: converged after 8 iterations. iteration 102: trace = 2.993101172329537 (0.523868% change) large trace change predicted (2.76671%) linmin: converged after 11 iterations. iteration 103: trace = 2.971608131661818 (0.720674% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426372018933 (0.174528% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962577335962634 (0.129838% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663814503978 (0.0983925% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957614268408919 (0.0692733% change) linmin: converged after 6 iterations. iteration 108: trace = 2.956028315577791 (0.0536371% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446828534768 (0.0535147% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952645123350557 (0.0610014% change) linmin: converged after 3 iterations. iteration 111: trace = 2.950800747639175 (0.0624847% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162679603889 (0.0555281% change) linmin: converged after 6 iterations. iteration 113: trace = 2.947680769585623 (0.0502611% change) linmin: converged after 4 iterations. iteration 114: trace = 2.946174316059846 (0.0511195% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944665989901709 (0.0512092% change) linmin: converged after 11 iterations. iteration 116: trace = 2.94338718010785 (0.0434374% change) linmin: converged after 4 iterations. iteration 117: trace = 2.942363134458385 (0.0347975% change) linmin: converged after 5 iterations. iteration 118: trace = 2.941372527586286 (0.0336727% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940247056151807 (0.0382708% change) linmin: converged after 5 iterations. iteration 120: trace = 2.939086120553895 (0.0394921% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938049396688806 (0.0352799% change) linmin: converged after 8 iterations. iteration 122: trace = 2.937030122878281 (0.0346982% change) linmin: converged after 5 iterations. iteration 123: trace = 2.935785576218478 (0.0423833% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934267173084133 (0.0517339% change) linmin: converged after 5 iterations. iteration 125: trace = 2.932754060489035 (0.0515803% change) linmin: converged after 5 iterations. iteration 126: trace = 2.931393532103366 (0.0464016% change) linmin: converged after 6 iterations. iteration 127: trace = 2.930046495063065 (0.0459627% change) linmin: converged after 7 iterations. iteration 128: trace = 2.928605619303829 (0.049188% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927187007466751 (0.0484516% change) linmin: converged after 4 iterations. iteration 130: trace = 2.925926675436992 (0.0430654% change) linmin: converged after 5 iterations. iteration 131: trace = 2.924738662474098 (0.0406112% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387895027909 (0.0461949% change) linmin: converged after 5 iterations. iteration 133: trace = 2.921695653224211 (0.0579031% change) linmin: converged after 6 iterations. iteration 134: trace = 2.919768542575914 (0.0659804% change) linmin: converged after 5 iterations. iteration 135: trace = 2.917897153309016 (0.0641143% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91618011679791 (0.0588623% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914508467988806 (0.0573397% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912776681955193 (0.0594371% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911011678101686 (0.0606136% change) resetting CG direction... large trace change predicted (0.793652%) linmin: converged after 4 iterations. iteration 140: trace = 2.888448142915038 (0.778125% change) large trace change predicted (2.41105%) linmin: converged after 6 iterations. iteration 141: trace = 2.824398529445118 (2.2423% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788320471782379 (1.28558% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760127495906069 (1.01625% change) linmin: converged after 3 iterations. iteration 144: trace = 2.74730282532291 (0.465722% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742809408693551 (0.163691% change) linmin: converged after 5 iterations. iteration 146: trace = 2.736560058301035 (0.228105% change) linmin: converged after 5 iterations. iteration 147: trace = 2.734950336139924 (0.0588401% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082786847843 (0.104903% change) linmin: converged after 4 iterations. iteration 149: trace = 2.731340381039817 (0.0271773% change) large trace change predicted (0.0664551%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522755863807 (0.0665692% change) linmin: converged after 4 iterations. iteration 151: trace = 2.728915130841332 (0.0222637% change) linmin: converged after 5 iterations. iteration 152: trace = 2.727938729485695 (0.0357862% change) linmin: converged after 3 iterations. iteration 153: trace = 2.727649653611959 (0.0105974% change) large trace change predicted (0.0314754%) linmin: converged after 7 iterations. iteration 154: trace = 2.72679207296228 (0.0314452% change) linmin: converged after 4 iterations. iteration 155: trace = 2.72641448325213 (0.0138484% change) large trace change predicted (0.0747233%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395947852308 (0.0740637% change) linmin: converged after 5 iterations. iteration 157: trace = 2.723688292409418 (0.0259781% change) linmin: converged after 6 iterations. iteration 158: trace = 2.722564803544207 (0.0412573% change) linmin: converged after 5 iterations. iteration 159: trace = 2.721743271194884 (0.0301795% change) linmin: converged after 8 iterations. iteration 160: trace = 2.720173035563441 (0.0577089% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719127715449163 (0.0384358% change) large trace change predicted (0.105615%) linmin: converged after 5 iterations. iteration 162: trace = 2.716259971523434 (0.105521% change) linmin: converged after 8 iterations. iteration 163: trace = 2.715293174461638 (0.0355993% change) large trace change predicted (0.139376%) linmin: converged after 5 iterations. iteration 164: trace = 2.711485804408327 (0.140318% change) linmin: converged after 6 iterations. iteration 165: trace = 2.71054890721527 (0.0345589% change) large trace change predicted (0.0881075%) linmin: converged after 4 iterations. iteration 166: trace = 2.70814144600202 (0.0888577% change) linmin: converged after 5 iterations. iteration 167: trace = 2.707016516787054 (0.0415474% change) linmin: converged after 4 iterations. iteration 168: trace = 2.705086929583155 (0.0713064% change) linmin: converged after 4 iterations. iteration 169: trace = 2.70424874894955 (0.0309902% change) linmin: converged after 5 iterations. iteration 170: trace = 2.702867000300367 (0.0511085% change) linmin: converged after 7 iterations. iteration 171: trace = 2.70231459664786 (0.0204398% change) large trace change predicted (0.0431715%) linmin: converged after 7 iterations. iteration 172: trace = 2.701149069533886 (0.04314% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717618968319 (0.0159741% change) linmin: converged after 4 iterations. iteration 174: trace = 2.699927033421598 (0.0292775% change) linmin: converged after 7 iterations. iteration 175: trace = 2.699504650342186 (0.0156455% change) linmin: converged after 5 iterations. iteration 176: trace = 2.698895629440849 (0.022563% change) linmin: converged after 9 iterations. iteration 177: trace = 2.698452371038478 (0.016425% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697994046170131 (0.0169862% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465372341332 (0.019597% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665720695167 (0.029649% change) linmin: converged after 6 iterations. iteration 181: trace = 2.696203232256923 (0.0171519% change) large trace change predicted (0.0346661%) linmin: converged after 6 iterations. iteration 182: trace = 2.69526764984018 (0.034706% change) linmin: converged after 6 iterations. iteration 183: trace = 2.694439472067331 (0.0307318% change) large trace change predicted (0.0623143%) linmin: converged after 4 iterations. iteration 184: trace = 2.692754916969655 (0.0625392% change) linmin: converged after 9 iterations. iteration 185: trace = 2.690742262506675 (0.0747713% change) linmin: converged after 8 iterations. iteration 186: trace = 2.687554655300269 (0.118536% change) linmin: converged after 7 iterations. iteration 187: trace = 2.685786652788846 (0.0658064% change) large trace change predicted (0.272371%) linmin: converged after 5 iterations. iteration 188: trace = 2.678470801265393 (0.272763% change) linmin: converged after 11 iterations. iteration 189: trace = 2.675876930557866 (0.0968884% change) large trace change predicted (0.339216%) linmin: converged after 4 iterations. iteration 190: trace = 2.666751007989556 (0.341627% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662939772318645 (0.143019% change) linmin: converged after 8 iterations. iteration 192: trace = 2.6570957936969 (0.219697% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653505191516707 (0.135224% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648512567672112 (0.188329% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319307470468 (0.120641% change) linmin: converged after 8 iterations. iteration 196: trace = 2.643041243277609 (0.0861539% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639075345586344 (0.150163% change) linmin: converged after 8 iterations. iteration 198: trace = 2.637975794917315 (0.0416729% change) large trace change predicted (0.120109%) linmin: converged after 4 iterations. iteration 199: trace = 2.6347848756454 (0.121034% change) linmin: converged after 7 iterations. iteration 200: trace = 2.633990400174567 (0.0301579% change) large trace change predicted (0.084429%) linmin: converged after 3 iterations. iteration 201: trace = 2.631748367470405 (0.0851555% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630651395570984 (0.0416909% change) large trace change predicted (0.0973802%) linmin: converged after 4 iterations. iteration 203: trace = 2.628069802659518 (0.0981833% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626791948770913 (0.0486351% change) large trace change predicted (0.143408%) linmin: converged after 3 iterations. iteration 205: trace = 2.622972464462565 (0.145511% change) linmin: converged after 4 iterations. iteration 206: trace = 2.62137931476261 (0.0607568% change) large trace change predicted (0.233938%) linmin: converged after 5 iterations. iteration 207: trace = 2.615108862906026 (0.239491% change) linmin: converged after 7 iterations. iteration 208: trace = 2.612606963425868 (0.0957167% change) large trace change predicted (0.27492%) linmin: converged after 5 iterations. iteration 209: trace = 2.605255134281273 (0.281795% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602477223703874 (0.106684% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598216037768704 (0.16387% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595396138286241 (0.108591% change) linmin: converged after 5 iterations. iteration 213: trace = 2.59369065669353 (0.0657334% change) large trace change predicted (0.153546%) linmin: converged after 3 iterations. iteration 214: trace = 2.589709627658045 (0.153607% change) linmin: converged after 6 iterations. iteration 215: trace = 2.588679155914417 (0.0397989% change) large trace change predicted (0.210583%) linmin: converged after 6 iterations. iteration 216: trace = 2.583223312963154 (0.21098% change) linmin: converged after 4 iterations. iteration 217: trace = 2.581702254311597 (0.0588995% change) large trace change predicted (0.132821%) linmin: converged after 6 iterations. iteration 218: trace = 2.578270197927912 (0.133026% change) linmin: converged after 6 iterations. iteration 219: trace = 2.575888725703486 (0.0924097% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572954614756323 (0.113972% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568436887211891 (0.175739% change) linmin: converged after 6 iterations. iteration 222: trace = 2.565754156116316 (0.104505% change) large trace change predicted (0.26702%) linmin: converged after 3 iterations. iteration 223: trace = 2.558855227493864 (0.269247% change) linmin: converged after 8 iterations. iteration 224: trace = 2.555875149165833 (0.116529% change) large trace change predicted (0.377693%) linmin: converged after 4 iterations. iteration 225: trace = 2.546133802956017 (0.381863% change) linmin: converged after 5 iterations. iteration 226: trace = 2.542348545364042 (0.148777% change) large trace change predicted (0.354923%) linmin: converged after 3 iterations. iteration 227: trace = 2.533247909681618 (0.358604% change) linmin: converged after 5 iterations. iteration 228: trace = 2.52944056399868 (0.150408% change) large trace change predicted (0.345371%) linmin: converged after 3 iterations. iteration 229: trace = 2.5206305991173 (0.348905% change) linmin: converged after 4 iterations. iteration 230: trace = 2.51816967107793 (0.0976791% change) large trace change predicted (0.267835%) linmin: converged after 4 iterations. iteration 231: trace = 2.511377270666094 (0.2701% change) linmin: converged after 4 iterations. iteration 232: trace = 2.510074196505032 (0.0519003% change) large trace change predicted (0.139196%) linmin: converged after 3 iterations. iteration 233: trace = 2.506567748091834 (0.139793% change) linmin: converged after 7 iterations. iteration 234: trace = 2.505717279703183 (0.0339354% change) large trace change predicted (0.0884214%) linmin: converged after 5 iterations. iteration 235: trace = 2.503500799797439 (0.088496% change) linmin: converged after 4 iterations. iteration 236: trace = 2.502216521291701 (0.0513125% change) large trace change predicted (0.11452%) linmin: converged after 3 iterations. iteration 237: trace = 2.499340672985017 (0.114998% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498350428140531 (0.0396281% change) large trace change predicted (0.14564%) linmin: converged after 3 iterations. iteration 239: trace = 2.494686987932495 (0.146742% change) linmin: converged after 4 iterations. iteration 240: trace = 2.493228520164578 (0.0584801% change) large trace change predicted (0.142697%) linmin: converged after 3 iterations. iteration 241: trace = 2.48964347618776 (0.143895% change) linmin: converged after 3 iterations. iteration 242: trace = 2.486028881270396 (0.145291% change) linmin: converged after 3 iterations. iteration 243: trace = 2.483368318122671 (0.107078% change) linmin: converged after 3 iterations. iteration 244: trace = 2.478518622861437 (0.195478% change) linmin: converged after 5 iterations. iteration 245: trace = 2.477026426789863 (0.0602233% change) large trace change predicted (0.245988%) linmin: converged after 3 iterations. iteration 246: trace = 2.470896088255247 (0.247794% change) linmin: converged after 4 iterations. iteration 247: trace = 2.468300210724617 (0.105113% change) linmin: converged after 3 iterations. iteration 248: trace = 2.463583629401084 (0.191269% change) linmin: converged after 3 iterations. iteration 249: trace = 2.46067683243128 (0.11806% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458729894015705 (0.0791534% change) large trace change predicted (0.169588%) linmin: converged after 3 iterations. iteration 251: trace = 2.454521056562851 (0.171326% change) linmin: converged after 4 iterations. iteration 252: trace = 2.453319030919832 (0.0489839% change) large trace change predicted (0.15002%) linmin: converged after 3 iterations. iteration 253: trace = 2.4495997395669 (0.151717% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448825957669639 (0.0315931% change) linmin: converged after 3 iterations. iteration 255: trace = 2.447788558849253 (0.0423721% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447349126315899 (0.0179538% change) linmin: converged after 6 iterations. iteration 257: trace = 2.447071686602103 (0.011337% change) linmin: converged after 4 iterations. iteration 258: trace = 2.446596832689071 (0.0194069% change) linmin: converged after 4 iterations. iteration 259: trace = 2.446430562393578 (0.00679621% change) large trace change predicted (0.0307962%) linmin: converged after 10 iterations. iteration 260: trace = 2.44567687847763 (0.0308122% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445325345094278 (0.0143747% change) large trace change predicted (0.05492%) linmin: converged after 3 iterations. iteration 262: trace = 2.443979770037124 (0.0550416% change) linmin: converged after 4 iterations. iteration 263: trace = 2.44305638584285 (0.0377891% change) large trace change predicted (0.0904362%) linmin: converged after 3 iterations. iteration 264: trace = 2.440833015266923 (0.0910492% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439858189144393 (0.0399462% change) large trace change predicted (0.140562%) linmin: converged after 3 iterations. iteration 266: trace = 2.436397975130141 (0.141921% change) linmin: converged after 6 iterations. iteration 267: trace = 2.435157895183555 (0.050911% change) large trace change predicted (0.127522%) linmin: converged after 3 iterations. iteration 268: trace = 2.43202617245744 (0.128687% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430969550997157 (0.0434556% change) large trace change predicted (0.0887546%) linmin: converged after 3 iterations. iteration 270: trace = 2.42880157882767 (0.0892212% change) linmin: converged after 7 iterations. iteration 271: trace = 2.428201456661499 (0.0247116% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427427734478417 (0.0318691% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427198897357013 (0.00942759% change) large trace change predicted (0.0225412%) linmin: converged after 3 iterations. iteration 274: trace = 2.426651296846774 (0.0225636% change) linmin: converged after 4 iterations. iteration 275: trace = 2.426515350666962 (0.00560237% change) large trace change predicted (0.0150731%) linmin: converged after 3 iterations. iteration 276: trace = 2.426149299236999 (0.0150866% change) linmin: converged after 7 iterations. iteration 277: trace = 2.42604334861077 (0.00436712% change) large trace change predicted (0.0121257%) linmin: converged after 3 iterations. iteration 278: trace = 2.42574907504963 (0.0121305% change) linmin: converged after 11 iterations. iteration 279: trace = 2.425615310147062 (0.00551453% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.425506385924794 (0.00449068% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425431464711454 (0.00308894% change) large trace change predicted (0.00816072%) linmin: converged after 5 iterations. iteration 282: trace = 2.425233494215989 (0.00816261% change) linmin: converged after 4 iterations. iteration 283: trace = 2.425191051463706 (0.00175006% change) large trace change predicted (0.0109637%) linmin: converged after 3 iterations. iteration 284: trace = 2.424924955529138 (0.0109728% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424747887601169 (0.00730226% change) linmin: converged after 3 iterations. iteration 286: trace = 2.424478501035183 (0.0111105% change) linmin: converged after 3 iterations. iteration 287: trace = 2.423971458328519 (0.0209157% change) linmin: converged after 6 iterations. iteration 288: trace = 2.423717030054782 (0.0104969% change) large trace change predicted (0.0317176%) linmin: converged after 3 iterations. iteration 289: trace = 2.422947586453366 (0.0317515% change) linmin: converged after 4 iterations. iteration 290: trace = 2.42228556016201 (0.0273269% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421904687749536 (0.0157249% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421236419701018 (0.0275965% change) linmin: converged after 4 iterations. iteration 293: trace = 2.421045726669086 (0.00787616% change) linmin: converged after 5 iterations. iteration 294: trace = 2.420813235710075 (0.00960338% change) linmin: converged after 4 iterations. iteration 295: trace = 2.420558403607004 (0.0105273% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420470766247239 (0.00362061% change) linmin: converged after 3 iterations. iteration 297: trace = 2.42030742835497 (0.00674841% change) linmin: converged after 6 iterations. iteration 298: trace = 2.42008914399855 (0.00901928% change) linmin: converged after 6 iterations. iteration 299: trace = 2.420013355724126 (0.00313168% change) large trace change predicted (0.00903628%) linmin: converged after 6 iterations. iteration 300: trace = 2.419794874537123 (0.00902851% change) linmin: converged after 8 iterations. iteration 301: trace = 2.419694818831106 (0.00413497% change) linmin: converged after 7 iterations. iteration 302: trace = 2.419595457686937 (0.00410643% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419455515478322 (0.00578387% change) linmin: converged after 6 iterations. iteration 304: trace = 2.419425425092193 (0.00124369% change) large trace change predicted (0.00714945%) linmin: converged after 5 iterations. iteration 305: trace = 2.419252495095128 (0.00714782% change) linmin: converged after 5 iterations. iteration 306: trace = 2.419197261242302 (0.00228312% change) large trace change predicted (0.0104159%) linmin: converged after 4 iterations. iteration 307: trace = 2.418945219040458 (0.010419% change) linmin: converged after 7 iterations. iteration 308: trace = 2.418764931361188 (0.00745343% change) linmin: converged after 3 iterations. iteration 309: trace = 2.418452005249057 (0.0129383% change) linmin: converged after 4 iterations. iteration 310: trace = 2.417885841262164 (0.0234129% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417564430046233 (0.013294% change) large trace change predicted (0.0344346%) linmin: converged after 5 iterations. iteration 312: trace = 2.416733917171363 (0.0343592% change) linmin: converged after 4 iterations. iteration 313: trace = 2.41653411035595 (0.00826798% change) linmin: converged after 4 iterations. iteration 314: trace = 2.416251600401907 (0.0116914% change) linmin: converged after 4 iterations. iteration 315: trace = 2.416151342024927 (0.00414942% change) linmin: converged after 5 iterations. iteration 316: trace = 2.416062835272836 (0.0036632% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415963394951248 (0.00411589% change) linmin: converged after 5 iterations. iteration 318: trace = 2.415935483954964 (0.00115528% change) large trace change predicted (0.00393661%) linmin: converged after 6 iterations. iteration 319: trace = 2.41584036978655 (0.00393703% change) linmin: converged after 5 iterations. iteration 320: trace = 2.415814169939886 (0.00108451% change) large trace change predicted (0.00285898%) linmin: converged after 5 iterations. iteration 321: trace = 2.415745111655867 (0.00285863% change) linmin: converged after 6 iterations. iteration 322: trace = 2.415683359006886 (0.00255629% change) linmin: converged after 6 iterations. iteration 323: trace = 2.415622097442928 (0.00253603% change) large trace change predicted (0.00647219%) linmin: converged after 4 iterations. iteration 324: trace = 2.415465758960213 (0.00647219% change) linmin: converged after 6 iterations. iteration 325: trace = 2.415417059785462 (0.00201616% change) large trace change predicted (0.00964655%) linmin: converged after 4 iterations. iteration 326: trace = 2.415184059580815 (0.00964684% change) linmin: converged after 4 iterations. iteration 327: trace = 2.415110017744065 (0.00306573% change) large trace change predicted (0.00819718%) linmin: converged after 5 iterations. iteration 328: trace = 2.414912074075603 (0.00819639% change) linmin: converged after 5 iterations. iteration 329: trace = 2.414818246002999 (0.00388544% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414735367126567 (0.00343215% change) linmin: converged after 3 iterations. iteration 331: trace = 2.414621792742087 (0.0047035% change) linmin: converged after 3 iterations. iteration 332: trace = 2.414550424412506 (0.00295572% change) linmin: converged after 6 iterations. iteration 333: trace = 2.414495109706231 (0.00229092% change) linmin: converged after 5 iterations. iteration 334: trace = 2.414423377558997 (0.00297094% change) linmin: converged after 3 iterations. iteration 335: trace = 2.414384691070278 (0.00160232% change) linmin: converged after 5 iterations. iteration 336: trace = 2.414341000176852 (0.00180962% change) linmin: converged after 5 iterations. iteration 337: trace = 2.41430055230594 (0.00167533% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414274317536414 (0.00108665% change) linmin: converged after 4 iterations. iteration 339: trace = 2.41425507287523 (0.000797123% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414236649452086 (0.000763113% change) linmin: converged after 6 iterations. iteration 341: trace = 2.414224726454799 (0.000493863% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414202726807066 (0.000911255% change) linmin: converged after 5 iterations. iteration 343: trace = 2.414178937106441 (0.000985411% change) linmin: converged after 5 iterations. iteration 344: trace = 2.414149798616576 (0.00120698% change) large trace change predicted (0.00299082%) linmin: converged after 6 iterations. iteration 345: trace = 2.41407759654868 (0.00299083% change) linmin: converged after 5 iterations. iteration 346: trace = 2.414004119437057 (0.00304374% change) large trace change predicted (0.00977882%) linmin: converged after 3 iterations. iteration 347: trace = 2.413767806995419 (0.00978971% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413687330364036 (0.00333412% change) large trace change predicted (0.0093437%) linmin: converged after 4 iterations. iteration 349: trace = 2.413461511077041 (0.00935622% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.413386434649297 (0.00311078% change) linmin: converged after 4 iterations. iteration 351: trace = 2.413305808082804 (0.00334086% change) linmin: converged after 4 iterations. iteration 352: trace = 2.4132488100235 (0.00236185% change) linmin: converged after 3 iterations. iteration 353: trace = 2.413211046121611 (0.00156487% change) linmin: converged after 5 iterations. iteration 354: trace = 2.413173536575557 (0.00155435% change) linmin: converged after 5 iterations. iteration 355: trace = 2.413167248421996 (0.000260576% change) large trace change predicted (0.000848795%) linmin: converged after 6 iterations. iteration 356: trace = 2.41314676709324 (0.000848736% change) linmin: converged after 5 iterations. iteration 357: trace = 2.413131917825763 (0.000615351% change) linmin: converged after 5 iterations. iteration 358: trace = 2.413123573766763 (0.000345778% change) large trace change predicted (0.000779705%) linmin: converged after 3 iterations. iteration 359: trace = 2.413104759268773 (0.000779677% change) linmin: converged after 4 iterations. iteration 360: trace = 2.413096158627766 (0.000356415% change) large trace change predicted (0.00114948%) linmin: converged after 4 iterations. iteration 361: trace = 2.413068415289525 (0.00114971% change) linmin: converged after 4 iterations. iteration 362: trace = 2.413062298339944 (0.000253493% change) large trace change predicted (0.000788004%) linmin: converged after 3 iterations. iteration 363: trace = 2.413043281903275 (0.000788066% change) linmin: converged after 6 iterations. iteration 364: trace = 2.413030650567991 (0.000523462% change) linmin: converged after 5 iterations. iteration 365: trace = 2.413016332836997 (0.000593352% change) large trace change predicted (0.00154277%) linmin: converged after 3 iterations. iteration 366: trace = 2.412979106526986 (0.00154274% change) linmin: converged after 16 iterations. iteration 367: trace = 2.41296256945816 (0.000685341% change) large trace change predicted (0.00259056%) linmin: converged after 4 iterations. iteration 368: trace = 2.412900063137797 (0.00259047% change) linmin: converged after 6 iterations. iteration 369: trace = 2.412862555151076 (0.00155449% change) large trace change predicted (0.00379101%) linmin: converged after 5 iterations. iteration 370: trace = 2.412771119267362 (0.00378959% change) linmin: converged after 6 iterations. iteration 371: trace = 2.412695634740488 (0.00312859% change) linmin: converged after 4 iterations. iteration 372: trace = 2.41264341456597 (0.00216441% change) linmin: converged after 5 iterations. iteration 373: trace = 2.412564555075086 (0.00326865% change) linmin: converged after 5 iterations. iteration 374: trace = 2.412538035336315 (0.00109924% change) large trace change predicted (0.00243144%) linmin: converged after 6 iterations. iteration 375: trace = 2.412479376231941 (0.00243146% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412467342269555 (0.000498823% change) large trace change predicted (0.00103276%) linmin: converged after 6 iterations. iteration 377: trace = 2.412442424999895 (0.00103286% change) linmin: converged after 6 iterations. iteration 378: trace = 2.412431726272443 (0.000443482% change) linmin: converged after 5 iterations. iteration 379: trace = 2.412421034374853 (0.000443201% change) linmin: converged after 6 iterations. iteration 380: trace = 2.412401544746259 (0.00080789% change) linmin: converged after 5 iterations. iteration 381: trace = 2.412392782882931 (0.000363202% change) large trace change predicted (0.00196816%) linmin: converged after 3 iterations. iteration 382: trace = 2.412345286815266 (0.00196886% change) linmin: converged after 5 iterations. iteration 383: trace = 2.412321399839644 (0.000990202% change) large trace change predicted (0.00315659%) linmin: converged after 4 iterations. iteration 384: trace = 2.412245236804718 (0.0031573% change) linmin: converged after 5 iterations. iteration 385: trace = 2.412195786171072 (0.00205% change) linmin: converged after 5 iterations. iteration 386: trace = 2.412141590352857 (0.00224677% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412062577249244 (0.00327569% change) linmin: converged after 5 iterations. iteration 388: trace = 2.412032968311365 (0.00122754% change) large trace change predicted (0.0068887%) linmin: converged after 5 iterations. iteration 389: trace = 2.411866774488818 (0.00689043% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411792401185717 (0.00308369% change) linmin: converged after 5 iterations. iteration 391: trace = 2.41167694189856 (0.0047874% change) linmin: converged after 6 iterations. iteration 392: trace = 2.411554708220565 (0.00506854% change) linmin: converged after 5 iterations. iteration 393: trace = 2.411513927622201 (0.00169106% change) large trace change predicted (0.00349877%) linmin: converged after 4 iterations. iteration 394: trace = 2.411429523232661 (0.00350012% change) linmin: converged after 5 iterations. iteration 395: trace = 2.411388532957937 (0.00169985% change) linmin: converged after 5 iterations. iteration 396: trace = 2.411346315754386 (0.00175076% change) linmin: converged after 3 iterations. iteration 397: trace = 2.411304516312421 (0.00173346% change) linmin: converged after 7 iterations. iteration 398: trace = 2.411286660605563 (0.000740503% change) large trace change predicted (0.00153433%) linmin: converged after 5 iterations. iteration 399: trace = 2.41124965539844 (0.00153468% change) linmin: converged after 5 iterations. iteration 400: trace = 2.411230610479458 (0.000789839% change) linmin: converged after 5 iterations. iteration 401: trace = 2.411196244364239 (0.00142526% change) large trace change predicted (0.00292356%) linmin: converged after 5 iterations. iteration 402: trace = 2.411125719503228 (0.00292493% change) linmin: converged after 5 iterations. iteration 403: trace = 2.411078229031088 (0.00196966% change) large trace change predicted (0.00746489%) linmin: converged after 5 iterations. iteration 404: trace = 2.410898129574305 (0.00746994% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410842941701281 (0.00228913% change) large trace change predicted (0.00770571%) linmin: converged after 6 iterations. iteration 406: trace = 2.410657065888799 (0.00771029% change) linmin: converged after 4 iterations. iteration 407: trace = 2.410502926941938 (0.00639427% change) linmin: converged after 4 iterations. iteration 408: trace = 2.410427868635873 (0.00311385% change) large trace change predicted (0.00706503%) linmin: converged after 8 iterations. iteration 409: trace = 2.410257521902843 (0.00706732% change) linmin: converged after 8 iterations. iteration 410: trace = 2.410221980438839 (0.0014746% change) linmin: converged after 5 iterations. iteration 411: trace = 2.410151957792329 (0.00290528% change) linmin: converged after 4 iterations. iteration 412: trace = 2.410104979853131 (0.00194919% change) linmin: converged after 5 iterations. iteration 413: trace = 2.410074948488489 (0.00124607% change) linmin: converged after 4 iterations. iteration 414: trace = 2.410017691600833 (0.00237576% change) linmin: converged after 8 iterations. iteration 415: trace = 2.409984969371745 (0.00135777% change) linmin: converged after 3 iterations. iteration 416: trace = 2.409921987043194 (0.00261343% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409861004380872 (0.00253051% change) linmin: converged after 6 iterations. iteration 418: trace = 2.409831187072331 (0.00123731% change) large trace change predicted (0.00427331%) linmin: converged after 4 iterations. iteration 419: trace = 2.409728146658982 (0.00427593% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.40970147888435 (0.00110668% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409687210926401 (0.000592107% change) large trace change predicted (0.00193327%) linmin: converged after 5 iterations. iteration 422: trace = 2.409640631368262 (0.00193303% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409618934783449 (0.000900412% change) large trace change predicted (0.00398567%) linmin: converged after 3 iterations. iteration 424: trace = 2.409522903805374 (0.0039854% change) linmin: converged after 5 iterations. iteration 425: trace = 2.409482308024622 (0.00168482% change) linmin: converged after 4 iterations. iteration 426: trace = 2.409425250025307 (0.00236809% change) linmin: converged after 3 iterations. iteration 427: trace = 2.409376627490277 (0.00201803% change) linmin: converged after 5 iterations. iteration 428: trace = 2.409360314604824 (0.000677061% change) large trace change predicted (0.00221129%) linmin: converged after 5 iterations. iteration 429: trace = 2.40930702749114 (0.0022117% change) linmin: converged after 8 iterations. iteration 430: trace = 2.409249243709464 (0.00239839% change) linmin: converged after 5 iterations. iteration 431: trace = 2.409195201311559 (0.00224315% change) large trace change predicted (0.00480342%) linmin: converged after 5 iterations. iteration 432: trace = 2.409079436407521 (0.00480524% change) linmin: converged after 6 iterations. iteration 433: trace = 2.409036739092051 (0.00177237% change) large trace change predicted (0.00461077%) linmin: converged after 4 iterations. iteration 434: trace = 2.408925674196643 (0.00461045% change) linmin: converged after 4 iterations. iteration 435: trace = 2.408849660402271 (0.00315556% change) linmin: converged after 5 iterations. iteration 436: trace = 2.408785112227291 (0.00267966% change) linmin: converged after 4 iterations. iteration 437: trace = 2.408671901645651 (0.00470001% change) linmin: converged after 3 iterations. iteration 438: trace = 2.408652271204432 (0.000814994% change) large trace change predicted (0.00262957%) linmin: converged after 4 iterations. iteration 439: trace = 2.408588955931056 (0.00262869% change) linmin: converged after 8 iterations. iteration 440: trace = 2.408573834653069 (0.000627808% change) linmin: converged after 4 iterations. iteration 441: trace = 2.408544638048476 (0.0012122% change) linmin: converged after 2 iterations. iteration 442: trace = 2.408524791908381 (0.000823992% change) linmin: converged after 5 iterations. iteration 443: trace = 2.40851419524881 (0.000439966% change) large trace change predicted (0.00138376%) linmin: converged after 4 iterations. iteration 444: trace = 2.40848086631135 (0.00138381% change) linmin: converged after 5 iterations. iteration 445: trace = 2.408461387106721 (0.000808779% change) large trace change predicted (0.00184068%) linmin: converged after 5 iterations. iteration 446: trace = 2.408417050970341 (0.00184087% change) linmin: converged after 3 iterations. iteration 447: trace = 2.408370527606705 (0.00193172% change) linmin: converged after 4 iterations. iteration 448: trace = 2.408336804660302 (0.00140025% change) linmin: converged after 5 iterations. iteration 449: trace = 2.408284611550768 (0.00216721% change) linmin: converged after 5 iterations. iteration 450: trace = 2.408253436532293 (0.0012945% change) linmin: converged after 3 iterations. iteration 451: trace = 2.408191162413356 (0.0025859% change) linmin: converged after 6 iterations. iteration 452: trace = 2.408133680701252 (0.00238695% change) linmin: converged after 6 iterations. iteration 453: trace = 2.408088041127709 (0.00189524% change) large trace change predicted (0.00392028%) linmin: converged after 3 iterations. iteration 454: trace = 2.407993663125156 (0.00391929% change) linmin: converged after 6 iterations. iteration 455: trace = 2.407964535303353 (0.00120964% change) large trace change predicted (0.0024464%) linmin: converged after 3 iterations. iteration 456: trace = 2.407905631451386 (0.00244624% change) linmin: converged after 6 iterations. iteration 457: trace = 2.407858509250551 (0.001957% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407844530038918 (0.000580568% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407816820607651 (0.0011508% change) linmin: converged after 6 iterations. iteration 460: trace = 2.407812512719409 (0.000178913% change) large trace change predicted (0.000483245%) linmin: converged after 13 iterations. iteration 461: trace = 2.40780087819417 (0.0004832% change) linmin: converged after 4 iterations. iteration 462: trace = 2.407794661399401 (0.000258194% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407789494891275 (0.000214575% change) large trace change predicted (0.00088323%) linmin: converged after 5 iterations. iteration 464: trace = 2.407768232546402 (0.000883069% change) linmin: converged after 5 iterations. iteration 465: trace = 2.407759494214948 (0.000362923% change) large trace change predicted (0.00211486%) linmin: converged after 4 iterations. iteration 466: trace = 2.407708592018342 (0.00211411% change) linmin: converged after 4 iterations. iteration 467: trace = 2.407675554988585 (0.00137215% change) linmin: converged after 4 iterations. iteration 468: trace = 2.407622940142824 (0.00218532% change) linmin: converged after 10 iterations. iteration 469: trace = 2.407575908380863 (0.00195347% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407555363912389 (0.00085333% change) large trace change predicted (0.00244944%) linmin: converged after 3 iterations. iteration 471: trace = 2.407496409876307 (0.00244874% change) linmin: converged after 4 iterations. iteration 472: trace = 2.407469939316644 (0.00109951% change) linmin: converged after 3 iterations. iteration 473: trace = 2.407438034055737 (0.00132527% change) linmin: converged after 5 iterations. iteration 474: trace = 2.407409185125543 (0.00119833% change) linmin: converged after 4 iterations. iteration 475: trace = 2.407401324309179 (0.000326527% change) large trace change predicted (0.000735905%) linmin: converged after 6 iterations. iteration 476: trace = 2.407383609612983 (0.000735846% change) linmin: converged after 6 iterations. iteration 477: trace = 2.407375220785283 (0.000348463% change) large trace change predicted (0.000781928%) linmin: converged after 5 iterations. iteration 478: trace = 2.407356399350062 (0.000781827% change) linmin: converged after 4 iterations. iteration 479: trace = 2.407340379218086 (0.000665468% change) linmin: converged after 7 iterations. iteration 480: trace = 2.407334955638029 (0.000225294% change) large trace change predicted (0.000888633%) linmin: converged after 3 iterations. iteration 481: trace = 2.407313564046815 (0.000888604% change) linmin: converged after 5 iterations. iteration 482: trace = 2.407309548045058 (0.000166825% change) large trace change predicted (0.000616995%) linmin: converged after 4 iterations. iteration 483: trace = 2.407294695271179 (0.000616988% change) linmin: converged after 5 iterations. iteration 484: trace = 2.407281115532553 (0.000564109% change) linmin: converged after 5 iterations. iteration 485: trace = 2.407271414250927 (0.000402998% change) large trace change predicted (0.00139438%) linmin: converged after 5 iterations. iteration 486: trace = 2.407237857736547 (0.00139397% change) linmin: converged after 6 iterations. iteration 487: trace = 2.407223779029771 (0.000584851% change) large trace change predicted (0.00416875%) linmin: converged after 6 iterations. iteration 488: trace = 2.407123526952789 (0.00416472% change) linmin: converged after 5 iterations. iteration 489: trace = 2.407026330795406 (0.00403794% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.406957269518961 (0.00286919% change) linmin: converged after 5 iterations. iteration 491: trace = 2.406870496565155 (0.00360515% change) linmin: converged after 4 iterations. iteration 492: trace = 2.406844872411499 (0.00106463% change) linmin: converged after 6 iterations. iteration 493: trace = 2.406823222726326 (0.000899509% change) linmin: converged after 4 iterations. iteration 494: trace = 2.406798510252978 (0.00102677% change) linmin: converged after 6 iterations. iteration 495: trace = 2.406792109081453 (0.000265962% change) large trace change predicted (0.000867646%) linmin: converged after 3 iterations. iteration 496: trace = 2.406771227114573 (0.00086763% change) linmin: converged after 12 iterations. iteration 497: trace = 2.406764503990177 (0.000279342% change) large trace change predicted (0.000566493%) linmin: converged after 8 iterations. iteration 498: trace = 2.40675087105694 (0.000566444% change) linmin: converged after 7 iterations. iteration 499: trace = 2.406738055778725 (0.000532474% change) linmin: converged after 7 iterations. iteration 500: trace = 2.406732425392003 (0.000233943% change) large trace change predicted (0.000756148%) linmin: converged after 5 iterations. iteration 501: trace = 2.406714229111141 (0.00075606% change) linmin: converged after 5 iterations. iteration 502: trace = 2.406705294928117 (0.00037122% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406690710234951 (0.000606004% change) linmin: converged after 5 iterations. iteration 504: trace = 2.40667063234783 (0.000834256% change) linmin: converged after 5 iterations. iteration 505: trace = 2.406661194691035 (0.000392147% change) large trace change predicted (0.00113089%) linmin: converged after 3 iterations. iteration 506: trace = 2.406633974864492 (0.00113103% change) linmin: converged after 5 iterations. iteration 507: trace = 2.406607392676347 (0.00110454% change) linmin: converged after 4 iterations. iteration 508: trace = 2.406575829183933 (0.00131154% change) linmin: converged after 3 iterations. iteration 509: trace = 2.406521134375334 (0.00227275% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406503241437983 (0.000743522% change) large trace change predicted (0.00300957%) linmin: converged after 6 iterations. iteration 511: trace = 2.406430832869664 (0.00300892% change) linmin: converged after 4 iterations. iteration 512: trace = 2.406387361342657 (0.00180649% change) linmin: converged after 5 iterations. iteration 513: trace = 2.406355518966213 (0.00132325% change) linmin: converged after 4 iterations. iteration 514: trace = 2.406329490383353 (0.00108167% change) linmin: converged after 4 iterations. iteration 515: trace = 2.406320645471696 (0.000367569% change) linmin: converged after 2 iterations. iteration 516: trace = 2.406303123871054 (0.000728152% change) linmin: converged after 6 iterations. iteration 517: trace = 2.406294411613941 (0.00036206% change) linmin: converged after 5 iterations. iteration 518: trace = 2.406286414055346 (0.00033236% change) linmin: converged after 11 iterations. iteration 519: trace = 2.406271583428192 (0.00061633% change) linmin: converged after 5 iterations. iteration 520: trace = 2.406263308925204 (0.000343873% change) large trace change predicted (0.000915081%) linmin: converged after 5 iterations. iteration 521: trace = 2.406241294679505 (0.000914877% change) linmin: converged after 5 iterations. iteration 522: trace = 2.406199173016654 (0.00175053% change) linmin: converged after 3 iterations. iteration 523: trace = 2.406173876238488 (0.00105132% change) large trace change predicted (0.00280236%) linmin: converged after 7 iterations. iteration 524: trace = 2.406106489210063 (0.00280063% change) linmin: converged after 5 iterations. iteration 525: trace = 2.406080420577878 (0.00108344% change) large trace change predicted (0.00263422%) linmin: converged after 5 iterations. iteration 526: trace = 2.406017049372287 (0.00263383% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405967533638343 (0.00205802% change) linmin: converged after 5 iterations. iteration 528: trace = 2.405935172494428 (0.00134505% change) large trace change predicted (0.00404592%) linmin: converged after 4 iterations. iteration 529: trace = 2.405837809078261 (0.00404688% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405798814768455 (0.00162083% change) large trace change predicted (0.0037066%) linmin: converged after 4 iterations. iteration 531: trace = 2.405709593420989 (0.00370866% change) linmin: converged after 4 iterations. iteration 532: trace = 2.405637557767991 (0.00299441% change) linmin: converged after 4 iterations. iteration 533: trace = 2.405602244559844 (0.00146795% change) linmin: converged after 4 iterations. iteration 534: trace = 2.405562832784966 (0.00163835% change) linmin: converged after 5 iterations. iteration 535: trace = 2.405546493173059 (0.000679245% change) linmin: converged after 5 iterations. iteration 536: trace = 2.405520748706309 (0.00107022% change) linmin: converged after 5 iterations. iteration 537: trace = 2.405500717412782 (0.000832725% change) linmin: converged after 5 iterations. iteration 538: trace = 2.405482124851071 (0.000772922% change) large trace change predicted (0.00184766%) linmin: converged after 4 iterations. iteration 539: trace = 2.405437681000958 (0.00184762% change) linmin: converged after 3 iterations. iteration 540: trace = 2.405411721585987 (0.0010792% change) large trace change predicted (0.002842%) linmin: converged after 5 iterations. iteration 541: trace = 2.405343335641992 (0.00284304% change) linmin: converged after 4 iterations. iteration 542: trace = 2.405288066254962 (0.0022978% change) linmin: converged after 9 iterations. iteration 543: trace = 2.405179376241461 (0.0045189% change) linmin: converged after 5 iterations. iteration 544: trace = 2.40506840314169 (0.00461403% change) linmin: converged after 4 iterations. iteration 545: trace = 2.404994116800035 (0.00308879% change) large trace change predicted (0.0071561%) linmin: converged after 6 iterations. iteration 546: trace = 2.404822128907764 (0.00715154% change) linmin: converged after 5 iterations. iteration 547: trace = 2.404776201949189 (0.0019098% change) large trace change predicted (0.00526143%) linmin: converged after 6 iterations. iteration 548: trace = 2.404649739793424 (0.00525893% change) linmin: converged after 3 iterations. iteration 549: trace = 2.404583649844168 (0.00274846% change) linmin: converged after 4 iterations. iteration 550: trace = 2.404547957918711 (0.00148434% change) linmin: converged after 5 iterations. iteration 551: trace = 2.404484313629107 (0.00264686% change) linmin: converged after 5 iterations. iteration 552: trace = 2.404462353903598 (0.000913286% change) large trace change predicted (0.00413703%) linmin: converged after 3 iterations. iteration 553: trace = 2.40436296662452 (0.00413354% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404325909399927 (0.00154126% change) large trace change predicted (0.00388783%) linmin: converged after 8 iterations. iteration 555: trace = 2.40423249741102 (0.00388524% change) linmin: converged after 4 iterations. iteration 556: trace = 2.40417473359623 (0.00240262% change) linmin: converged after 3 iterations. iteration 557: trace = 2.404142752565208 (0.00133024% change) linmin: converged after 5 iterations. iteration 558: trace = 2.404110700821694 (0.0013332% change) linmin: converged after 5 iterations. iteration 559: trace = 2.404093065392066 (0.000733556% change) resetting CG direction... linmin: converged after 5 iterations. iteration 560: trace = 2.404078045332241 (0.000624772% change) linmin: converged after 6 iterations. iteration 561: trace = 2.404051180451748 (0.00111748% change) linmin: converged after 4 iterations. iteration 562: trace = 2.404018893615237 (0.00134303% change) linmin: converged after 6 iterations. iteration 563: trace = 2.403969653218171 (0.00204827% change) large trace change predicted (0.00438759%) linmin: converged after 6 iterations. iteration 564: trace = 2.403864121129502 (0.00439001% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403835397136465 (0.00119492% change) large trace change predicted (0.00422546%) linmin: converged after 5 iterations. iteration 566: trace = 2.403733753789727 (0.00422847% change) linmin: converged after 8 iterations. iteration 567: trace = 2.403698695864119 (0.00145849% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40364427619776 (0.00226402% change) linmin: converged after 5 iterations. iteration 569: trace = 2.403582611632665 (0.00256549% change) linmin: converged after 4 iterations. iteration 570: trace = 2.403546294920238 (0.00151095% change) large trace change predicted (0.00544673%) linmin: converged after 6 iterations. iteration 571: trace = 2.403415443813978 (0.00544423% change) linmin: converged after 4 iterations. iteration 572: trace = 2.403375584425909 (0.00165846% change) large trace change predicted (0.00659273%) linmin: converged after 6 iterations. iteration 573: trace = 2.403217254650844 (0.00658803% change) linmin: converged after 5 iterations. iteration 574: trace = 2.403135088102778 (0.00341908% change) linmin: converged after 5 iterations. iteration 575: trace = 2.403041163443373 (0.0039085% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402925943800047 (0.00479486% change) linmin: converged after 7 iterations. iteration 577: trace = 2.402870571242855 (0.00230441% change) linmin: converged after 5 iterations. iteration 578: trace = 2.402772579702877 (0.00407819% change) linmin: converged after 6 iterations. iteration 579: trace = 2.402745835509351 (0.00111306% change) large trace change predicted (0.00250649%) linmin: converged after 5 iterations. iteration 580: trace = 2.402685605406111 (0.00250675% change) linmin: converged after 5 iterations. iteration 581: trace = 2.402668034958073 (0.000731286% change) linmin: converged after 5 iterations. iteration 582: trace = 2.402643312077053 (0.00102898% change) linmin: converged after 7 iterations. iteration 583: trace = 2.402617495848525 (0.0010745% change) linmin: converged after 5 iterations. iteration 584: trace = 2.402604079464414 (0.000558409% change) large trace change predicted (0.00210272%) linmin: converged after 3 iterations. iteration 585: trace = 2.402553574806637 (0.0021021% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402508492774035 (0.00187644% change) linmin: converged after 5 iterations. iteration 587: trace = 2.402458890623528 (0.00206462% change) linmin: converged after 5 iterations. iteration 588: trace = 2.402380815566274 (0.00324985% change) linmin: converged after 4 iterations. iteration 589: trace = 2.402342424713478 (0.00159805% change) large trace change predicted (0.00329024%) linmin: converged after 7 iterations. iteration 590: trace = 2.402263409700965 (0.00328914% change) linmin: converged after 5 iterations. iteration 591: trace = 2.402181725210517 (0.00340037% change) linmin: converged after 4 iterations. iteration 592: trace = 2.402140386227026 (0.00172091% change) large trace change predicted (0.00421812%) linmin: converged after 3 iterations. iteration 593: trace = 2.402039121043811 (0.00421571% change) linmin: converged after 6 iterations. iteration 594: trace = 2.402007095969871 (0.00133325% change) large trace change predicted (0.00348507%) linmin: converged after 4 iterations. iteration 595: trace = 2.401923405033258 (0.00348427% change) linmin: converged after 5 iterations. iteration 596: trace = 2.401862916661954 (0.00251836% change) linmin: converged after 5 iterations. iteration 597: trace = 2.401839775280153 (0.000963481% change) linmin: converged after 4 iterations. iteration 598: trace = 2.401798732385787 (0.00170883% change) linmin: converged after 5 iterations. iteration 599: trace = 2.401782993163387 (0.000655312% change) linmin: converged after 5 iterations. iteration 600: trace = 2.40176789410113 (0.000628663% change) linmin: converged after 5 iterations. iteration 601: trace = 2.401753053913696 (0.000617888% change) linmin: converged after 5 iterations. iteration 602: trace = 2.40174815166572 (0.000204111% change) large trace change predicted (0.000544992%) linmin: converged after 6 iterations. iteration 603: trace = 2.401735065733056 (0.000544852% change) linmin: converged after 5 iterations. iteration 604: trace = 2.401720084361273 (0.000623775% change) linmin: converged after 5 iterations. iteration 605: trace = 2.401698362344814 (0.00090444% change) large trace change predicted (0.002325%) linmin: converged after 4 iterations. iteration 606: trace = 2.401642512560469 (0.00232546% change) linmin: converged after 9 iterations. iteration 607: trace = 2.401611933829751 (0.00127325% change) large trace change predicted (0.00330897%) linmin: converged after 3 iterations. iteration 608: trace = 2.401532463592184 (0.00330909% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401499119087424 (0.00138848% change) linmin: converged after 5 iterations. iteration 610: trace = 2.401447417894419 (0.00215289% change) linmin: converged after 3 iterations. iteration 611: trace = 2.401385084557824 (0.00259569% change) linmin: converged after 4 iterations. iteration 612: trace = 2.401351484970682 (0.00139919% change) linmin: converged after 3 iterations. iteration 613: trace = 2.401304668927772 (0.00194959% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401292927071097 (0.000488979% change) large trace change predicted (0.00117536%) linmin: converged after 8 iterations. iteration 615: trace = 2.401264719220454 (0.0011747% change) linmin: converged after 4 iterations. iteration 616: trace = 2.401248380437763 (0.000680426% change) linmin: converged after 3 iterations. iteration 617: trace = 2.401238787611322 (0.000399494% change) large trace change predicted (0.00124652%) linmin: converged after 4 iterations. iteration 618: trace = 2.401208858022974 (0.00124643% change) linmin: converged after 7 iterations. iteration 619: trace = 2.401201445936205 (0.000308682% change) large trace change predicted (0.000912018%) linmin: converged after 5 iterations. iteration 620: trace = 2.401179545657997 (0.000912059% change) linmin: converged after 4 iterations. iteration 621: trace = 2.401167782659738 (0.000489885% change) linmin: converged after 5 iterations. iteration 622: trace = 2.40115232401181 (0.000643799% change) linmin: converged after 7 iterations. iteration 623: trace = 2.401135431530021 (0.000703518% change) linmin: converged after 6 iterations. iteration 624: trace = 2.401127364772883 (0.000335957% change) large trace change predicted (0.00109744%) linmin: converged after 3 iterations. iteration 625: trace = 2.401101017621681 (0.00109729% change) linmin: converged after 4 iterations. iteration 626: trace = 2.40107893677681 (0.000919618% change) linmin: converged after 5 iterations. iteration 627: trace = 2.401046265969237 (0.00136068% change) large trace change predicted (0.00310902%) linmin: converged after 7 iterations. iteration 628: trace = 2.400971683592469 (0.00310629% change) linmin: converged after 6 iterations. iteration 629: trace = 2.400920445009996 (0.0021341% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.400881191161568 (0.00163496% change) linmin: converged after 4 iterations. iteration 631: trace = 2.40083258118282 (0.00202469% change) linmin: converged after 5 iterations. iteration 632: trace = 2.400775436330532 (0.00238024% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400758567069976 (0.000702661% change) linmin: converged after 7 iterations. iteration 634: trace = 2.400726208542434 (0.00134786% change) linmin: converged after 9 iterations. iteration 635: trace = 2.400719717401779 (0.000270383% change) large trace change predicted (0.000945239%) linmin: converged after 5 iterations. iteration 636: trace = 2.40069702601044 (0.000945196% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400686304381208 (0.000446606% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400675961603981 (0.000430827% change) linmin: converged after 5 iterations. iteration 639: trace = 2.40065557831117 (0.000849068% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40064577320946 (0.000408435% change) large trace change predicted (0.00098766%) linmin: converged after 5 iterations. iteration 641: trace = 2.400622068888652 (0.000987419% change) linmin: converged after 6 iterations. iteration 642: trace = 2.400614665424228 (0.000308398% change) large trace change predicted (0.00091859%) linmin: converged after 5 iterations. iteration 643: trace = 2.400592618195549 (0.000918404% change) linmin: converged after 5 iterations. iteration 644: trace = 2.40057956515277 (0.000543744% change) linmin: converged after 4 iterations. iteration 645: trace = 2.400562754288886 (0.000700286% change) linmin: converged after 6 iterations. iteration 646: trace = 2.400530250256735 (0.00135403% change) linmin: converged after 5 iterations. iteration 647: trace = 2.400513378227578 (0.000702848% change) large trace change predicted (0.00289488%) linmin: converged after 3 iterations. iteration 648: trace = 2.400443876446262 (0.00289533% change) linmin: converged after 8 iterations. iteration 649: trace = 2.400425572419785 (0.00076253% change) large trace change predicted (0.00303777%) linmin: converged after 4 iterations. iteration 650: trace = 2.400352645804773 (0.00303812% change) linmin: converged after 4 iterations. iteration 651: trace = 2.400311383372737 (0.00171903% change) linmin: converged after 5 iterations. iteration 652: trace = 2.400271726383075 (0.00165217% change) linmin: converged after 4 iterations. iteration 653: trace = 2.400209603283523 (0.0025882% change) linmin: converged after 6 iterations. iteration 654: trace = 2.400193321661681 (0.000678344% change) large trace change predicted (0.00156829%) linmin: converged after 6 iterations. iteration 655: trace = 2.400155677053053 (0.00156841% change) linmin: converged after 5 iterations. iteration 656: trace = 2.400149186573974 (0.000270419% change) large trace change predicted (0.000567482%) linmin: converged after 6 iterations. iteration 657: trace = 2.400135566977637 (0.00056745% change) linmin: converged after 5 iterations. iteration 658: trace = 2.400127821202504 (0.000322723% change) linmin: converged after 4 iterations. iteration 659: trace = 2.400122253741531 (0.000231965% change) large trace change predicted (0.000844315%) linmin: converged after 4 iterations. iteration 660: trace = 2.400101985735589 (0.000844461% change) linmin: converged after 7 iterations. iteration 661: trace = 2.400093730830167 (0.00034394% change) large trace change predicted (0.00189139%) linmin: converged after 5 iterations. iteration 662: trace = 2.4000483255984 (0.00189183% change) linmin: converged after 5 iterations. iteration 663: trace = 2.400021388409706 (0.00112237% change) large trace change predicted (0.00259541%) linmin: converged after 4 iterations. iteration 664: trace = 2.399959089208699 (0.00259581% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399890620760105 (0.00285294% change) linmin: converged after 6 iterations. iteration 666: trace = 2.399858608154246 (0.00133393% change) large trace change predicted (0.00375816%) linmin: converged after 3 iterations. iteration 667: trace = 2.399768444772164 (0.0037571% change) linmin: converged after 5 iterations. iteration 668: trace = 2.399730308979426 (0.00158916% change) linmin: converged after 5 iterations. iteration 669: trace = 2.399659767508675 (0.0029396% change) linmin: converged after 5 iterations. iteration 670: trace = 2.399569108335375 (0.00377807% change) linmin: converged after 5 iterations. iteration 671: trace = 2.399539148698802 (0.00124855% change) large trace change predicted (0.00353834%) linmin: converged after 7 iterations. iteration 672: trace = 2.399454245615263 (0.00353837% change) linmin: converged after 4 iterations. iteration 673: trace = 2.399413389867977 (0.00170272% change) linmin: converged after 5 iterations. iteration 674: trace = 2.399383992729808 (0.00122519% change) linmin: converged after 6 iterations. iteration 675: trace = 2.399327126021597 (0.00237008% change) linmin: converged after 4 iterations. iteration 676: trace = 2.39931669573767 (0.000434718% change) large trace change predicted (0.0014553%) linmin: converged after 4 iterations. iteration 677: trace = 2.399281780488946 (0.00145523% change) linmin: converged after 6 iterations. iteration 678: trace = 2.399269557289851 (0.000509454% change) large trace change predicted (0.00104003%) linmin: converged after 7 iterations. iteration 679: trace = 2.399244605134143 (0.00104% change) linmin: converged after 5 iterations. iteration 680: trace = 2.399209778341632 (0.00145158% change) linmin: converged after 6 iterations. iteration 681: trace = 2.399187993198304 (0.000908017% change) large trace change predicted (0.00415945%) linmin: converged after 5 iterations. iteration 682: trace = 2.399088210314647 (0.00415911% change) linmin: converged after 5 iterations. iteration 683: trace = 2.399056221718275 (0.00133337% change) large trace change predicted (0.00596721%) linmin: converged after 3 iterations. iteration 684: trace = 2.398913104911782 (0.00596572% change) linmin: converged after 3 iterations. iteration 685: trace = 2.398850811939598 (0.00259675% change) linmin: converged after 6 iterations. iteration 686: trace = 2.39875700122225 (0.00391073% change) linmin: converged after 5 iterations. iteration 687: trace = 2.398633677363022 (0.00514129% change) linmin: converged after 11 iterations. iteration 688: trace = 2.398597001553794 (0.00152904% change) large trace change predicted (0.00529396%) linmin: converged after 7 iterations. iteration 689: trace = 2.398470057235489 (0.00529258% change) linmin: converged after 4 iterations. iteration 690: trace = 2.398437960445294 (0.00133823% change) linmin: converged after 3 iterations. iteration 691: trace = 2.398391230601388 (0.00194836% change) linmin: converged after 4 iterations. iteration 692: trace = 2.39833206436131 (0.00246694% change) linmin: converged after 5 iterations. iteration 693: trace = 2.398305795553497 (0.0010953% change) large trace change predicted (0.00229367%) linmin: converged after 5 iterations. iteration 694: trace = 2.398250809738408 (0.00229272% change) linmin: converged after 3 iterations. iteration 695: trace = 2.398206801623472 (0.00183503% change) linmin: converged after 5 iterations. iteration 696: trace = 2.398147832334272 (0.00245892% change) linmin: converged after 7 iterations. iteration 697: trace = 2.398099658302062 (0.00200882% change) linmin: converged after 6 iterations. iteration 698: trace = 2.398077434923507 (0.000926712% change) linmin: converged after 5 iterations. iteration 699: trace = 2.398055295282286 (0.000923229% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.398045005095203 (0.000429106% change) linmin: converged after 3 iterations. iteration 701: trace = 2.398031251454867 (0.000573537% change) large trace change predicted (0.00235806%) linmin: converged after 4 iterations. iteration 702: trace = 2.397974705301421 (0.00235805% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397952140548108 (0.000940997% change) large trace change predicted (0.00347249%) linmin: converged after 4 iterations. iteration 704: trace = 2.397868868267941 (0.0034727% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397836629143445 (0.0013445% change) linmin: converged after 6 iterations. iteration 706: trace = 2.397785394565341 (0.00213672% change) linmin: converged after 4 iterations. iteration 707: trace = 2.397725891231192 (0.00248163% change) linmin: converged after 8 iterations. iteration 708: trace = 2.397705434124033 (0.000853192% change) large trace change predicted (0.00267083%) linmin: converged after 5 iterations. iteration 709: trace = 2.397641391226871 (0.00267104% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397547201218146 (0.00392852% change) linmin: converged after 5 iterations. iteration 711: trace = 2.397513953342903 (0.00138676% change) large trace change predicted (0.00618255%) linmin: converged after 3 iterations. iteration 712: trace = 2.397365753453123 (0.00618159% change) linmin: converged after 5 iterations. iteration 713: trace = 2.397327041730609 (0.00161477% change) large trace change predicted (0.00361742%) linmin: converged after 4 iterations. iteration 714: trace = 2.397240334136916 (0.00361691% change) linmin: converged after 3 iterations. iteration 715: trace = 2.397143726677977 (0.00403003% change) linmin: converged after 4 iterations. iteration 716: trace = 2.39711205118414 (0.00132139% change) large trace change predicted (0.00333039%) linmin: converged after 3 iterations. iteration 717: trace = 2.39703224056156 (0.0033295% change) linmin: converged after 6 iterations. iteration 718: trace = 2.397006072532194 (0.00109169% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396973952962859 (0.00134% change) linmin: converged after 6 iterations. iteration 720: trace = 2.396952050002569 (0.00091378% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396941430042514 (0.000443062% change) large trace change predicted (0.00089795%) linmin: converged after 5 iterations. iteration 722: trace = 2.396919914532225 (0.000897628% change) linmin: converged after 5 iterations. iteration 723: trace = 2.396897661914431 (0.000928388% change) linmin: converged after 6 iterations. iteration 724: trace = 2.39686994051504 (0.00115656% change) linmin: converged after 4 iterations. iteration 725: trace = 2.396817530998328 (0.00218661% change) linmin: converged after 5 iterations. iteration 726: trace = 2.396794726927751 (0.000951436% change) large trace change predicted (0.00229541%) linmin: converged after 5 iterations. iteration 727: trace = 2.396739731301993 (0.00229458% change) linmin: converged after 12 iterations. iteration 728: trace = 2.396699912372668 (0.00166139% change) linmin: converged after 5 iterations. iteration 729: trace = 2.39665887172729 (0.0017124% change) linmin: converged after 5 iterations. iteration 730: trace = 2.396597099071831 (0.00257748% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396577201214417 (0.000830258% change) large trace change predicted (0.00294524%) linmin: converged after 6 iterations. iteration 732: trace = 2.396506669043147 (0.00294308% change) linmin: converged after 4 iterations. iteration 733: trace = 2.39645286587445 (0.00224509% change) linmin: converged after 5 iterations. iteration 734: trace = 2.396417089640879 (0.00149289% change) linmin: converged after 4 iterations. iteration 735: trace = 2.396375339372929 (0.00174221% change) linmin: converged after 4 iterations. iteration 736: trace = 2.396353827080573 (0.000897705% change) linmin: converged after 5 iterations. iteration 737: trace = 2.396332295684323 (0.000898511% change) linmin: converged after 4 iterations. iteration 738: trace = 2.396315736672283 (0.000691017% change) linmin: converged after 6 iterations. iteration 739: trace = 2.396312630559705 (0.00012962% change) large trace change predicted (0.000333809%) linmin: converged after 4 iterations. iteration 740: trace = 2.396304633084968 (0.000333741% change) linmin: converged after 11 iterations. iteration 741: trace = 2.396297636871418 (0.000291959% change) linmin: converged after 5 iterations. iteration 742: trace = 2.396293503591808 (0.000172486% change) large trace change predicted (0.000966486%) linmin: converged after 5 iterations. iteration 743: trace = 2.396270350438698 (0.000966212% change) linmin: converged after 4 iterations. iteration 744: trace = 2.39625559887979 (0.000615607% change) large trace change predicted (0.00156451%) linmin: converged after 5 iterations. iteration 745: trace = 2.396218132081826 (0.00156357% change) linmin: converged after 7 iterations. iteration 746: trace = 2.396169474875157 (0.0020306% change) linmin: converged after 5 iterations. iteration 747: trace = 2.396147015181723 (0.000937321% change) linmin: converged after 3 iterations. iteration 748: trace = 2.396112948043588 (0.00142176% change) linmin: converged after 3 iterations. iteration 749: trace = 2.396072068815776 (0.00170608% change) linmin: converged after 5 iterations. iteration 750: trace = 2.396054100642392 (0.000749904% change) linmin: converged after 7 iterations. iteration 751: trace = 2.396027193967936 (0.00112296% change) linmin: converged after 5 iterations. iteration 752: trace = 2.396019695526097 (0.000312954% change) linmin: converged after 4 iterations. iteration 753: trace = 2.396005374020965 (0.000597722% change) linmin: converged after 3 iterations. iteration 754: trace = 2.395994483785818 (0.000454517% change) linmin: converged after 4 iterations. iteration 755: trace = 2.395989219877737 (0.000219696% change) large trace change predicted (0.000528901%) linmin: converged after 7 iterations. iteration 756: trace = 2.395976548034334 (0.000528879% change) linmin: converged after 4 iterations. iteration 757: trace = 2.395965620400097 (0.000456084% change) linmin: converged after 4 iterations. iteration 758: trace = 2.395957841866318 (0.000324652% change) linmin: converged after 17 iterations. iteration 759: trace = 2.395945239267996 (0.000525996% change) linmin: converged after 7 iterations. iteration 760: trace = 2.395939241072151 (0.000250348% change) linmin: converged after 4 iterations. iteration 761: trace = 2.395929689734224 (0.000398648% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395923084939838 (0.000275668% change) linmin: converged after 3 iterations. iteration 763: trace = 2.395910336231919 (0.000532101% change) linmin: converged after 6 iterations. iteration 764: trace = 2.395893421942324 (0.000705968% change) linmin: converged after 5 iterations. iteration 765: trace = 2.395869296266789 (0.00100696% change) linmin: converged after 5 iterations. iteration 766: trace = 2.39584030701188 (0.00120998% change) linmin: converged after 5 iterations. iteration 767: trace = 2.395803582852315 (0.00153284% change) large trace change predicted (0.00586152%) linmin: converged after 7 iterations. iteration 768: trace = 2.395663429710101 (0.00585011% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395561522454289 (0.00425391% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.395446000829811 (0.00482244% change) linmin: converged after 3 iterations. iteration 771: trace = 2.395361967144426 (0.00350812% change) linmin: converged after 4 iterations. iteration 772: trace = 2.39531206531116 (0.00208329% change) linmin: converged after 6 iterations. iteration 773: trace = 2.395303117794417 (0.000373544% change) large trace change predicted (0.00108904%) linmin: converged after 5 iterations. iteration 774: trace = 2.39527703439986 (0.00108895% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395267669889619 (0.000390958% change) linmin: converged after 7 iterations. iteration 776: trace = 2.395260993343948 (0.000278739% change) linmin: converged after 18 iterations. iteration 777: trace = 2.395252458157278 (0.000356337% change) linmin: converged after 5 iterations. iteration 778: trace = 2.395248379129995 (0.000170296% change) linmin: converged after 4 iterations. iteration 779: trace = 2.395241166995908 (0.000301102% change) linmin: converged after 4 iterations. iteration 780: trace = 2.395229930896045 (0.000469102% change) linmin: converged after 6 iterations. iteration 781: trace = 2.395226872926693 (0.000127669% change) large trace change predicted (0.000483009%) linmin: converged after 5 iterations. iteration 782: trace = 2.39521530600261 (0.000482917% change) linmin: converged after 4 iterations. iteration 783: trace = 2.395209276857976 (0.000251717% change) linmin: converged after 4 iterations. iteration 784: trace = 2.395202014511145 (0.000303203% change) linmin: converged after 3 iterations. iteration 785: trace = 2.39519001973183 (0.000500785% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395183202267537 (0.000284632% change) large trace change predicted (0.000592757%) linmin: converged after 4 iterations. iteration 787: trace = 2.39516900163785 (0.000592885% change) large trace change predicted (0.00130179%) linmin: converged after 4 iterations. iteration 788: trace = 2.395137816835079 (0.001302% change) linmin: converged after 5 iterations. iteration 789: trace = 2.395126514085332 (0.000471905% change) large trace change predicted (0.00159137%) linmin: converged after 6 iterations. iteration 790: trace = 2.395088394572273 (0.00159156% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395072452947586 (0.000665599% change) linmin: converged after 5 iterations. iteration 792: trace = 2.395050389543344 (0.000921204% change) linmin: converged after 5 iterations. iteration 793: trace = 2.39502083065363 (0.00123417% change) linmin: converged after 5 iterations. iteration 794: trace = 2.395015504693964 (0.000222377% change) large trace change predicted (0.000737543%) linmin: converged after 5 iterations. iteration 795: trace = 2.394997837856636 (0.000737653% change) linmin: converged after 5 iterations. iteration 796: trace = 2.394991097299907 (0.000281444% change) linmin: converged after 7 iterations. iteration 797: trace = 2.394987425337961 (0.000153319% change) linmin: converged after 5 iterations. iteration 798: trace = 2.394981614329743 (0.000242632% change) linmin: converged after 9 iterations. iteration 799: trace = 2.394978482568882 (0.000130764% change) large trace change predicted (0.00027808%) linmin: converged after 5 iterations. iteration 800: trace = 2.394971822877183 (0.000278069% change) linmin: converged after 5 iterations. iteration 801: trace = 2.394960933439378 (0.00045468% change) linmin: converged after 5 iterations. iteration 802: trace = 2.39495345903919 (0.000312089% change) large trace change predicted (0.00109941%) linmin: converged after 9 iterations. iteration 803: trace = 2.394927131361643 (0.0010993% change) linmin: converged after 3 iterations. iteration 804: trace = 2.394916959856176 (0.000424711% change) large trace change predicted (0.000963014%) linmin: converged after 4 iterations. iteration 805: trace = 2.394893897628245 (0.00096297% change) linmin: converged after 3 iterations. iteration 806: trace = 2.394868149668156 (0.00107512% change) linmin: converged after 5 iterations. iteration 807: trace = 2.394857819206549 (0.000431359% change) large trace change predicted (0.00144494%) linmin: converged after 5 iterations. iteration 808: trace = 2.394823208703843 (0.00144521% change) linmin: converged after 5 iterations. iteration 809: trace = 2.394803583396851 (0.000819492% change) large trace change predicted (0.0022392%) linmin: converged after 3 iterations. iteration 810: trace = 2.394749946297767 (0.00223975% change) linmin: converged after 3 iterations. iteration 811: trace = 2.394727258261355 (0.000947412% change) linmin: converged after 5 iterations. iteration 812: trace = 2.39469443776746 (0.00137054% change) linmin: converged after 4 iterations. iteration 813: trace = 2.394668229468161 (0.00109444% change) linmin: converged after 8 iterations. iteration 814: trace = 2.394658589003982 (0.000402581% change) large trace change predicted (0.000913792%) linmin: converged after 4 iterations. iteration 815: trace = 2.394636705905853 (0.000913834% change) linmin: converged after 5 iterations. iteration 816: trace = 2.394632307094083 (0.000183694% change) large trace change predicted (0.000516255%) linmin: converged after 4 iterations. iteration 817: trace = 2.394619943895298 (0.000516289% change) linmin: converged after 4 iterations. iteration 818: trace = 2.39461671943049 (0.000134655% change) large trace change predicted (0.000326782%) linmin: converged after 4 iterations. iteration 819: trace = 2.394608892271069 (0.000326865% change) linmin: converged after 4 iterations. iteration 820: trace = 2.39460260303577 (0.000262642% change) large trace change predicted (0.000660226%) linmin: converged after 4 iterations. iteration 821: trace = 2.394586792377225 (0.000660264% change) linmin: converged after 5 iterations. iteration 822: trace = 2.394576647914976 (0.000423642% change) large trace change predicted (0.0013203%) linmin: converged after 4 iterations. iteration 823: trace = 2.394545024131449 (0.00132065% change) linmin: converged after 5 iterations. iteration 824: trace = 2.394529067311698 (0.000666384% change) large trace change predicted (0.0014456%) linmin: converged after 6 iterations. iteration 825: trace = 2.394494452940763 (0.00144557% change) linmin: converged after 5 iterations. iteration 826: trace = 2.394471338000631 (0.000965342% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394442762291112 (0.00119341% change) linmin: converged after 4 iterations. iteration 828: trace = 2.3944131619857 (0.00123622% change) linmin: converged after 6 iterations. iteration 829: trace = 2.394388774008185 (0.00101854% change) linmin: converged after 4 iterations. iteration 830: trace = 2.394357474389021 (0.00130722% change) linmin: converged after 9 iterations. iteration 831: trace = 2.394348803618946 (0.000362134% change) large trace change predicted (0.000955955%) linmin: converged after 6 iterations. iteration 832: trace = 2.39432591439819 (0.000955973% change) linmin: converged after 5 iterations. iteration 833: trace = 2.39432053798157 (0.000224548% change) large trace change predicted (0.00053403%) linmin: converged after 4 iterations. iteration 834: trace = 2.394307751493337 (0.000534036% change) linmin: converged after 5 iterations. iteration 835: trace = 2.394297874893897 (0.000412504% change) linmin: converged after 6 iterations. iteration 836: trace = 2.39428188357044 (0.000667894% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394272584284218 (0.000388396% change) linmin: converged after 6 iterations. iteration 838: trace = 2.39425758168261 (0.000626606% change) linmin: converged after 6 iterations. iteration 839: trace = 2.394251619057628 (0.000249039% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394247018378142 (0.000192155% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394240730996433 (0.000262604% change) linmin: converged after 5 iterations. iteration 842: trace = 2.39423740212113 (0.000139037% change) linmin: converged after 5 iterations. iteration 843: trace = 2.394233315222262 (0.000170697% change) large trace change predicted (0.000392461%) linmin: converged after 4 iterations. iteration 844: trace = 2.394223918867664 (0.000392459% change) linmin: converged after 6 iterations. iteration 845: trace = 2.394217129012838 (0.000283594% change) large trace change predicted (0.000995882%) linmin: converged after 9 iterations. iteration 846: trace = 2.394193287726607 (0.000995791% change) linmin: converged after 5 iterations. iteration 847: trace = 2.394164659397895 (0.00119575% change) linmin: converged after 5 iterations. iteration 848: trace = 2.394146477985685 (0.000759408% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394118677440451 (0.00116119% change) linmin: converged after 8 iterations. iteration 850: trace = 2.394100569723913 (0.000756345% change) linmin: converged after 7 iterations. iteration 851: trace = 2.394085040503797 (0.000648647% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394058508701435 (0.00110823% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394050704300158 (0.000325991% change) large trace change predicted (0.000906446%) linmin: converged after 4 iterations. iteration 854: trace = 2.394029009269474 (0.00090621% change) linmin: converged after 6 iterations. iteration 855: trace = 2.394010463856044 (0.000774656% change) linmin: converged after 5 iterations. iteration 856: trace = 2.393999549743469 (0.000455893% change) linmin: converged after 5 iterations. iteration 857: trace = 2.393987397629052 (0.000507609% change) linmin: converged after 5 iterations. iteration 858: trace = 2.393979059743142 (0.000348285% change) linmin: converged after 5 iterations. iteration 859: trace = 2.393969684977145 (0.000391598% change) linmin: converged after 5 iterations. iteration 860: trace = 2.393956602342794 (0.000546484% change) linmin: converged after 6 iterations. iteration 861: trace = 2.393953517956382 (0.000128841% change) large trace change predicted (0.000386561%) linmin: converged after 3 iterations. iteration 862: trace = 2.393944264918082 (0.000386518% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393939947243642 (0.000180358% change) linmin: converged after 6 iterations. iteration 864: trace = 2.393935382371547 (0.000190685% change) large trace change predicted (0.000410599%) linmin: converged after 4 iterations. iteration 865: trace = 2.393925554810664 (0.00041052% change) linmin: converged after 3 iterations. iteration 866: trace = 2.393921401819164 (0.000173481% change) large trace change predicted (0.000897989%) linmin: converged after 5 iterations. iteration 867: trace = 2.393899912625584 (0.000897661% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393883807713726 (0.00067275% change) linmin: converged after 6 iterations. iteration 869: trace = 2.393857993439342 (0.00107835% change) linmin: converged after 3 iterations. iteration 870: trace = 2.393835476789239 (0.000940605% change) linmin: converged after 5 iterations. iteration 871: trace = 2.393823449454628 (0.000502431% change) linmin: converged after 5 iterations. iteration 872: trace = 2.393808661256593 (0.000617767% change) linmin: converged after 7 iterations. iteration 873: trace = 2.39379907792828 (0.000400339% change) linmin: converged after 7 iterations. iteration 874: trace = 2.393796378856954 (0.000112753% change) large trace change predicted (0.000250074%) linmin: converged after 6 iterations. iteration 875: trace = 2.393790392806315 (0.000250065% change) linmin: converged after 5 iterations. iteration 876: trace = 2.393788677586883 (7.16529e-05% change) large trace change predicted (0.000176967%) linmin: converged after 4 iterations. iteration 877: trace = 2.393784441338881 (0.000176968% change) linmin: converged after 4 iterations. iteration 878: trace = 2.393781925185881 (0.000105112% change) linmin: converged after 3 iterations. iteration 879: trace = 2.393779396618886 (0.000105631% change) linmin: converged after 9 iterations. iteration 880: trace = 2.393775749376786 (0.000152363% change) linmin: converged after 4 iterations. iteration 881: trace = 2.393773369391051 (9.9424e-05% change) linmin: converged after 8 iterations. iteration 882: trace = 2.393771473512882 (7.92004e-05% change) linmin: converged after 5 iterations. iteration 883: trace = 2.393768005206534 (0.000144889% change) linmin: converged after 5 iterations. iteration 884: trace = 2.393766805203668 (5.01303e-05% change) large trace change predicted (0.000131512%) linmin: converged after 7 iterations. iteration 885: trace = 2.393763657446417 (0.000131498% change) linmin: converged after 4 iterations. iteration 886: trace = 2.393762139110225 (6.34288e-05% change) large trace change predicted (0.000188711%) linmin: converged after 6 iterations. iteration 887: trace = 2.393757622585064 (0.000188679% change) linmin: converged after 5 iterations. iteration 888: trace = 2.393755058787127 (0.000107104% change) large trace change predicted (0.000235285%) linmin: converged after 5 iterations. iteration 889: trace = 2.393749428029932 (0.000235227% change) large trace change predicted (0.000489323%) linmin: converged after 5 iterations. iteration 890: trace = 2.393737717294975 (0.000489223% change) linmin: converged after 10 iterations. iteration 891: trace = 2.393733905186699 (0.000159254% change) large trace change predicted (0.000441211%) linmin: converged after 5 iterations. iteration 892: trace = 2.393723346536241 (0.000441096% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393714695224546 (0.000361417% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393709086918766 (0.000234293% change) linmin: converged after 4 iterations. iteration 895: trace = 2.393700296752916 (0.00036722% change) linmin: converged after 5 iterations. iteration 896: trace = 2.393697932823406 (9.87563e-05% change) linmin: converged after 6 iterations. iteration 897: trace = 2.39369457942503 (0.000140093% change) linmin: converged after 5 iterations. iteration 898: trace = 2.393691330580075 (0.000135725% change) linmin: converged after 9 iterations. iteration 899: trace = 2.393690362010347 (4.04634e-05% change) large trace change predicted (9.00742e-05%) linmin: converged after 5 iterations. iteration 900: trace = 2.393688205903 (9.00747e-05% change) linmin: converged after 4 iterations. iteration 901: trace = 2.393687125237036 (4.51465e-05% change) linmin: converged after 6 iterations. iteration 902: trace = 2.393686390307186 (3.07028e-05% change) large trace change predicted (7.37474e-05%) linmin: converged after 5 iterations. iteration 903: trace = 2.393684624996794 (7.37486e-05% change) linmin: converged after 8 iterations. iteration 904: trace = 2.39368388729822 (3.08185e-05% change) large trace change predicted (6.48271e-05%) linmin: converged after 5 iterations. iteration 905: trace = 2.393682335492059 (6.48292e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393681053304419 (5.35655e-05% change) linmin: converged after 6 iterations. iteration 907: trace = 2.393680125376674 (3.87657e-05% change) large trace change predicted (0.000105541%) linmin: converged after 7 iterations. iteration 908: trace = 2.393677599055989 (0.000105541% change) linmin: converged after 6 iterations. iteration 909: trace = 2.393676660422464 (3.9213e-05% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.393675256822327 (5.86379e-05% change) linmin: converged after 8 iterations. iteration 911: trace = 2.39367401860537 (5.17287e-05% change) linmin: converged after 5 iterations. iteration 912: trace = 2.393672036272664 (8.28155e-05% change) linmin: converged after 4 iterations. iteration 913: trace = 2.3936712218868 (3.40225e-05% change) large trace change predicted (7.80272e-05%) linmin: converged after 13 iterations. iteration 914: trace = 2.393669354254907 (7.80238e-05% change) linmin: converged after 7 iterations. iteration 915: trace = 2.393667347968376 (8.38164e-05% change) linmin: converged after 4 iterations. iteration 916: trace = 2.393666027571924 (5.51621e-05% change) large trace change predicted (0.000176944%) linmin: converged after 3 iterations. iteration 917: trace = 2.393661792224028 (0.00017694% change) linmin: converged after 8 iterations. iteration 918: trace = 2.393659977869249 (7.57983e-05% change) large trace change predicted (0.000261705%) linmin: converged after 4 iterations. iteration 919: trace = 2.393653713153222 (0.000261722% change) large trace change predicted (0.000525329%) linmin: converged after 4 iterations. iteration 920: trace = 2.393641139173828 (0.000525306% change) linmin: converged after 5 iterations. iteration 921: trace = 2.393637173281394 (0.000165685% change) large trace change predicted (0.000587883%) linmin: converged after 2 iterations. iteration 922: trace = 2.393623101441448 (0.000587887% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393617378110959 (0.000239108% change) linmin: converged after 5 iterations. iteration 924: trace = 2.393610570184294 (0.00028442% change) linmin: converged after 2 iterations. iteration 925: trace = 2.393606976367428 (0.000150142% change) linmin: converged after 5 iterations. iteration 926: trace = 2.393604915507091 (8.60986e-05% change) linmin: converged after 5 iterations. iteration 927: trace = 2.393602662574684 (9.4123e-05% change) linmin: converged after 6 iterations. iteration 928: trace = 2.393599526707307 (0.00013101% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393598544621478 (4.10297e-05% change) large trace change predicted (0.000228181%) linmin: converged after 6 iterations. iteration 930: trace = 2.393593082408059 (0.000228201% change) linmin: converged after 4 iterations. iteration 931: trace = 2.393590793397207 (9.56308e-05% change) linmin: converged after 6 iterations. iteration 932: trace = 2.39358866122074 (8.90786e-05% change) linmin: converged after 6 iterations. iteration 933: trace = 2.393585957391196 (0.000112961% change) linmin: converged after 11 iterations. iteration 934: trace = 2.393584751895689 (5.03636e-05% change) large trace change predicted (0.000126726%) linmin: converged after 4 iterations. iteration 935: trace = 2.393581718485331 (0.000126731% change) linmin: converged after 4 iterations. iteration 936: trace = 2.393577778260109 (0.000164616% change) linmin: converged after 4 iterations. iteration 937: trace = 2.393575002518244 (0.000115966% change) large trace change predicted (0.000383097%) linmin: converged after 4 iterations. iteration 938: trace = 2.393565832420546 (0.000383114% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393561807898419 (0.000168139% change) large trace change predicted (0.000462652%) linmin: converged after 6 iterations. iteration 940: trace = 2.393550733222387 (0.000462687% change) linmin: converged after 3 iterations. iteration 941: trace = 2.393535304928824 (0.00064458% change) linmin: converged after 5 iterations. iteration 942: trace = 2.393531059929306 (0.000177353% change) large trace change predicted (0.000688658%) linmin: converged after 4 iterations. iteration 943: trace = 2.393514572929078 (0.000688817% change) linmin: converged after 7 iterations. iteration 944: trace = 2.393511712295858 (0.000119516% change) large trace change predicted (0.000310619%) linmin: converged after 7 iterations. iteration 945: trace = 2.393504277209264 (0.000310636% change) linmin: converged after 3 iterations. iteration 946: trace = 2.393499975791604 (0.000179712% change) linmin: converged after 8 iterations. iteration 947: trace = 2.393497853822178 (8.86555e-05% change) linmin: converged after 9 iterations. iteration 948: trace = 2.393493693150467 (0.000173832% change) linmin: converged after 5 iterations. iteration 949: trace = 2.393492334561417 (5.67618e-05% change) large trace change predicted (0.000187199%) linmin: converged after 5 iterations. iteration 950: trace = 2.39348785414673 (0.000187192% change) linmin: converged after 4 iterations. iteration 951: trace = 2.39348587582906 (8.26542e-05% change) large trace change predicted (0.000178629%) linmin: converged after 7 iterations. iteration 952: trace = 2.393481600247808 (0.000178634% change) linmin: converged after 5 iterations. iteration 953: trace = 2.39347692247818 (0.000195438% change) linmin: converged after 11 iterations. iteration 954: trace = 2.393473655133765 (0.00013651% change) large trace change predicted (0.000313851%) linmin: converged after 4 iterations. iteration 955: trace = 2.393466142652732 (0.000313874% change) linmin: converged after 4 iterations. iteration 956: trace = 2.393463868046369 (9.5034e-05% change) large trace change predicted (0.000418813%) linmin: converged after 8 iterations. iteration 957: trace = 2.393453843375263 (0.000418836% change) linmin: converged after 5 iterations. iteration 958: trace = 2.39344901599197 (0.000201691% change) linmin: converged after 11 iterations. iteration 959: trace = 2.393440729339197 (0.000346223% change) linmin: converged after 2 iterations. iteration 960: trace = 2.393428348372357 (0.000517289% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393422316209366 (0.000252031% change) large trace change predicted (0.000541434%) linmin: converged after 5 iterations. iteration 962: trace = 2.393409356283079 (0.000541482% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393401263835993 (0.000338114% change) linmin: converged after 5 iterations. iteration 964: trace = 2.393394561352574 (0.00028004% change) linmin: converged after 4 iterations. iteration 965: trace = 2.393386505970443 (0.000336568% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393385190822643 (5.49493e-05% change) large trace change predicted (0.000118563%) linmin: converged after 16 iterations. iteration 967: trace = 2.393382353086626 (0.000118566% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393381181893887 (4.89346e-05% change) linmin: converged after 7 iterations. iteration 969: trace = 2.3933805328801 (2.7117e-05% change) large trace change predicted (0.000181798%) linmin: converged after 8 iterations. iteration 970: trace = 2.393376181817789 (0.000181796% change) linmin: converged after 9 iterations. iteration 971: trace = 2.393373223172943 (0.000123618% change) large trace change predicted (0.000492744%) linmin: converged after 2 iterations. iteration 972: trace = 2.393361429904624 (0.000492748% change) linmin: converged after 6 iterations. iteration 973: trace = 2.393353646190783 (0.000325222% change) linmin: converged after 2 iterations. iteration 974: trace = 2.393347058955424 (0.000275231% change) large trace change predicted (0.000950491%) linmin: converged after 5 iterations. iteration 975: trace = 2.393324316201265 (0.000950253% change) linmin: converged after 5 iterations. iteration 976: trace = 2.393304861281281 (0.000812886% change) linmin: converged after 6 iterations. iteration 977: trace = 2.393285512887282 (0.000808442% change) linmin: converged after 7 iterations. iteration 978: trace = 2.393257231805932 (0.00118169% change) linmin: converged after 8 iterations. iteration 979: trace = 2.393240470480591 (0.000700359% change) resetting CG direction... linmin: converged after 6 iterations. iteration 980: trace = 2.393229675769142 (0.000451051% change) linmin: converged after 2 iterations. iteration 981: trace = 2.393213328298975 (0.000683074% change) linmin: converged after 6 iterations. iteration 982: trace = 2.393206244075379 (0.000296013% change) linmin: converged after 12 iterations. iteration 983: trace = 2.393195714076674 (0.000439996% change) linmin: converged after 4 iterations. iteration 984: trace = 2.393181283727592 (0.000602976% change) linmin: converged after 5 iterations. iteration 985: trace = 2.393178078158251 (0.000133946% change) linmin: converged after 6 iterations. iteration 986: trace = 2.393172412926989 (0.000236724% change) linmin: converged after 9 iterations. iteration 987: trace = 2.393168218120694 (0.000175282% change) linmin: converged after 5 iterations. iteration 988: trace = 2.393165802343699 (0.000100945% change) linmin: converged after 5 iterations. iteration 989: trace = 2.393163810951547 (8.32117e-05% change) linmin: converged after 8 iterations. iteration 990: trace = 2.393163372187489 (1.83341e-05% change) linmin: converged after 4 iterations. iteration 991: trace = 2.393162746304638 (2.6153e-05% change) linmin: converged after 9 iterations. iteration 992: trace = 2.393162189396757 (2.32708e-05% change) linmin: converged after 8 iterations. iteration 993: trace = 2.393161592991656 (2.49212e-05% change) large trace change predicted (7.46428e-05%) linmin: converged after 5 iterations. iteration 994: trace = 2.393159806696539 (7.46417e-05% change) linmin: converged after 6 iterations. iteration 995: trace = 2.3931591415583 (2.77933e-05% change) large trace change predicted (0.000156041%) linmin: converged after 12 iterations. iteration 996: trace = 2.393155407416231 (0.000156034% change) linmin: converged after 5 iterations. iteration 997: trace = 2.393152484432109 (0.000122139% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393150548174597 (8.09083e-05% change) large trace change predicted (0.00018734%) linmin: converged after 6 iterations. iteration 999: trace = 2.393146065288985 (0.000187322% change) linmin: converged after 12 iterations. iteration 1000: trace = 2.393144529208922 (6.41867e-05% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.393141662350265 (0.000119795% change) linmin: converged after 8 iterations. iteration 1002: trace = 2.393138838538488 (0.000117996% change) linmin: converged after 11 iterations. iteration 1003: trace = 2.393137228755537 (6.72666e-05% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.39313520329853 (8.46361e-05% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.393133207704009 (8.33883e-05% change) linmin: converged after 9 iterations. iteration 1006: trace = 2.393132610543489 (2.49531e-05% change) large trace change predicted (5.47737e-05%) linmin: converged after 3 iterations. iteration 1007: trace = 2.393131299809351 (5.47707e-05% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.393130886426975 (1.72737e-05% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.393130103895016 (3.26991e-05% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393129478933514 (2.61148e-05% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.393129195091729 (1.18607e-05% change) large trace change predicted (2.697e-05%) linmin: converged after 4 iterations. iteration 1012: trace = 2.393128549667149 (2.69699e-05% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.393127567135252 (4.10564e-05% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.393126731813706 (3.4905e-05% change) large trace change predicted (0.000102834%) linmin: converged after 4 iterations. iteration 1015: trace = 2.39312427099151 (0.000102829% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.393123346184447 (3.86443e-05% change) large trace change predicted (9.30866e-05%) linmin: converged after 4 iterations. iteration 1017: trace = 2.393121118598962 (9.30828e-05% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.39311856829342 (0.000106568% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.393117514873111 (4.40187e-05% change) large trace change predicted (0.000109838%) linmin: converged after 10 iterations. iteration 1020: trace = 2.393114886671852 (0.000109823% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.393114448232042 (1.83209e-05% change) large trace change predicted (5.39211e-05%) linmin: converged after 6 iterations. iteration 1022: trace = 2.393113157892465 (5.39189e-05% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.393112739277629 (1.74925e-05% change) linmin: converged after 10 iterations. iteration 1024: trace = 2.393112439682988 (1.2519e-05% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.393111959127437 (2.00808e-05% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.393111692572611 (1.11384e-05% change) linmin: converged after 6 iterations. iteration 1027: trace = 2.39311118731892 (2.11128e-05% change) linmin: converged after 12 iterations. iteration 1028: trace = 2.393110553335849 (2.6492e-05% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.393110302941346 (1.04631e-05% change) large trace change predicted (2.87393e-05%) linmin: converged after 4 iterations. iteration 1030: trace = 2.39310961519759 (2.87385e-05% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.393109367328365 (1.03576e-05% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.393109101909643 (1.1091e-05% change) large trace change predicted (2.41367e-05%) linmin: converged after 4 iterations. iteration 1033: trace = 2.393108524310404 (2.41359e-05% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.393108349375666 (7.30994e-06% change) large trace change predicted (4.05937e-05%) linmin: converged after 12 iterations. iteration 1035: trace = 2.393107377921311 (4.05938e-05% change) linmin: converged after 6 iterations. iteration 1036: trace = 2.393106544994858 (3.48052e-05% change) linmin: converged after 8 iterations. iteration 1037: trace = 2.393105312093327 (5.15189e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39310418081785 (4.72723e-05% change) linmin: converged after 16 iterations. iteration 1039: trace = 2.393103625918671 (2.31874e-05% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.393102818169142 (3.37532e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393102591058088 (9.49023e-06% change) linmin: converged after 5 iterations. iteration 1042: trace = 2.393102220825425 (1.54708e-05% change) linmin: converged after 10 iterations. iteration 1043: trace = 2.39310201524262 (8.59064e-06% change) linmin: converged after 7 iterations. iteration 1044: trace = 2.393101887595564 (5.33396e-06% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.393101742967519 (6.04354e-06% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.393101662070973 (3.38041e-06% change) linmin: converged after 13 iterations. iteration 1047: trace = 2.393101511426409 (6.29495e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393101376643174 (5.63216e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393101226801514 (6.2614e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.39310112836271 (4.11344e-06% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.393100994866044 (5.5784e-06% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.39310081613479 (7.46861e-06% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.393100753023583 (2.63721e-06% change) large trace change predicted (6.22506e-06%) linmin: converged after 6 iterations. iteration 1054: trace = 2.393100604051623 (6.22506e-06% change) linmin: converged after 22 iterations. iteration 1055: trace = 2.393100417964137 (7.776e-06% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.393100307822921 (4.60245e-06% change) large trace change predicted (1.56514e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393099933284774 (1.56508e-05% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.393099811867278 (5.07365e-06% change) large trace change predicted (3.74113e-05%) linmin: converged after 6 iterations. iteration 1059: trace = 2.393098916623484 (3.74094e-05% change) linmin: converged after 5 iterations. iteration 1060: trace = 2.393098356388159 (2.34105e-05% change) linmin: converged after 12 iterations. iteration 1061: trace = 2.393097485111014 (3.64079e-05% change) linmin: converged after 2 iterations. iteration 1062: trace = 2.393096449267765 (4.32846e-05% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.393096161268076 (1.20346e-05% change) large trace change predicted (3.25804e-05%) linmin: converged after 5 iterations. iteration 1064: trace = 2.393095381571845 (3.25811e-05% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.393095163875945 (9.09683e-06% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393094867597897 (1.23805e-05% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.393094554655817 (1.30769e-05% change) linmin: converged after 5 iterations. iteration 1068: trace = 2.393094384542212 (7.10852e-06% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.39309407001425 (1.31431e-05% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.393093544973669 (2.19398e-05% change) linmin: converged after 7 iterations. iteration 1071: trace = 2.3930933717581 (7.23814e-06% change) large trace change predicted (2.03637e-05%) linmin: converged after 4 iterations. iteration 1072: trace = 2.393092884426113 (2.03641e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.39309270613377 (7.45029e-06% change) linmin: converged after 8 iterations. iteration 1074: trace = 2.393092445736498 (1.08812e-05% change) linmin: converged after 5 iterations. iteration 1075: trace = 2.393092092814343 (1.47475e-05% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.393091910411958 (7.62204e-06% change) large trace change predicted (2.81377e-05%) linmin: converged after 6 iterations. iteration 1077: trace = 2.393091237038153 (2.81382e-05% change) linmin: converged after 6 iterations. iteration 1078: trace = 2.393090863867451 (1.55937e-05% change) large trace change predicted (5.92594e-05%) linmin: converged after 3 iterations. iteration 1079: trace = 2.393089445617551 (5.92644e-05% change) linmin: converged after 5 iterations. iteration 1080: trace = 2.393088601198425 (3.52857e-05% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.393087656900365 (3.94594e-05% change) linmin: converged after 2 iterations. iteration 1082: trace = 2.393086343648524 (5.48769e-05% change) linmin: converged after 7 iterations. iteration 1083: trace = 2.393085899772788 (1.85483e-05% change) large trace change predicted (6.43883e-05%) linmin: converged after 6 iterations. iteration 1084: trace = 2.393084358843782 (6.43909e-05% change) linmin: converged after 6 iterations. iteration 1085: trace = 2.393084088825352 (1.12833e-05% change) large trace change predicted (2.65218e-05%) linmin: converged after 4 iterations. iteration 1086: trace = 2.393083454134272 (2.65219e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393083083349222 (1.5494e-05% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.393082944869308 (5.78667e-06% change) large trace change predicted (1.38278e-05%) linmin: converged after 4 iterations. iteration 1089: trace = 2.393082613949314 (1.38282e-05% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393082501702558 (4.69047e-06% change) large trace change predicted (1.70856e-05%) linmin: converged after 4 iterations. iteration 1091: trace = 2.393082092816134 (1.70862e-05% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.393081911922593 (7.55902e-06% change) large trace change predicted (1.66515e-05%) linmin: converged after 5 iterations. iteration 1093: trace = 2.393081513423216 (1.66521e-05% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.393081073514513 (1.83825e-05% change) linmin: converged after 9 iterations. iteration 1095: trace = 2.393080712540959 (1.50841e-05% change) large trace change predicted (3.16772e-05%) linmin: converged after 5 iterations. iteration 1096: trace = 2.393079954486825 (3.16769e-05% change) linmin: converged after 14 iterations. iteration 1097: trace = 2.393079637526969 (1.32449e-05% change) large trace change predicted (4.80173e-05%) linmin: converged after 7 iterations. iteration 1098: trace = 2.393078488439423 (4.80171e-05% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.393078107331678 (1.59254e-05% change) large trace change predicted (4.15036e-05%) linmin: converged after 4 iterations. iteration 1100: trace = 2.393077114143851 (4.15025e-05% change) linmin: converged after 8 iterations. iteration 1101: trace = 2.393076413745305 (2.92677e-05% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.393075444196486 (4.05148e-05% change) linmin: converged after 2 iterations. iteration 1103: trace = 2.393073990404941 (6.07499e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393073504941876 (2.02862e-05% change) large trace change predicted (5.45688e-05%) linmin: converged after 5 iterations. iteration 1105: trace = 2.393072199021882 (5.45708e-05% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.393071953318385 (1.02673e-05% change) linmin: converged after 5 iterations. iteration 1107: trace = 2.393071470072697 (2.01935e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393071319652051 (6.28567e-06% change) linmin: converged after 5 iterations. iteration 1109: trace = 2.393071198125446 (5.07827e-06% change) linmin: converged after 9 iterations. iteration 1110: trace = 2.393070965954303 (9.70181e-06% change) linmin: converged after 5 iterations. iteration 1111: trace = 2.393070889654453 (3.18837e-06% change) large trace change predicted (2.22932e-05%) linmin: converged after 4 iterations. iteration 1112: trace = 2.393070356181004 (2.22924e-05% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.393069968449168 (1.62023e-05% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.393069202793356 (3.19947e-05% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.393068301127172 (3.76782e-05% change) linmin: converged after 13 iterations. iteration 1116: trace = 2.393067722048569 (2.41982e-05% change) large trace change predicted (9.19829e-05%) linmin: converged after 4 iterations. iteration 1117: trace = 2.393065520867552 (9.19816e-05% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.393064689941259 (3.47223e-05% change) large trace change predicted (9.60855e-05%) linmin: converged after 4 iterations. iteration 1119: trace = 2.393062390556415 (9.60854e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1120: trace = 2.393061907647628 (2.01795e-05% change) linmin: converged after 5 iterations. iteration 1121: trace = 2.393061048252754 (3.59119e-05% change) linmin: converged after 14 iterations. iteration 1122: trace = 2.393059872855201 (4.91169e-05% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.393059320051554 (2.31003e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393058266865268 (4.401e-05% change) linmin: converged after 3 iterations. iteration 1125: trace = 2.393057894337316 (1.5567e-05% change) linmin: converged after 12 iterations. iteration 1126: trace = 2.393057397209215 (2.07738e-05% change) linmin: converged after 9 iterations. iteration 1127: trace = 2.393056929408738 (1.95482e-05% change) linmin: converged after 8 iterations. iteration 1128: trace = 2.393056793196666 (5.69197e-06% change) linmin: converged after 7 iterations. iteration 1129: trace = 2.393056636330743 (6.55504e-06% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.393056577282556 (2.46748e-06% change) linmin: converged after 9 iterations. iteration 1131: trace = 2.393056481197897 (4.01514e-06% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.393056313970586 (6.98802e-06% change) linmin: converged after 5 iterations. iteration 1133: trace = 2.393056213978011 (4.17845e-06% change) large trace change predicted (9.53275e-06%) linmin: converged after 16 iterations. iteration 1134: trace = 2.393055985856769 (9.53263e-06% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.393055885516753 (4.19297e-06% change) large trace change predicted (1.62786e-05%) linmin: converged after 4 iterations. iteration 1136: trace = 2.393055495972824 (1.62781e-05% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.393055147975143 (1.4542e-05% change) linmin: converged after 9 iterations. iteration 1138: trace = 2.393054722299685 (1.7788e-05% change) linmin: converged after 7 iterations. iteration 1139: trace = 2.393053983487088 (3.08732e-05% change) linmin: converged after 6 iterations. iteration 1140: trace = 2.393053620070797 (1.51863e-05% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.393052957426222 (2.76903e-05% change) linmin: converged after 8 iterations. iteration 1142: trace = 2.393052809805668 (6.16871e-06% change) linmin: converged after 6 iterations. iteration 1143: trace = 2.39305254720378 (1.09735e-05% change) linmin: converged after 12 iterations. iteration 1144: trace = 2.393052428393714 (4.96479e-06% change) linmin: converged after 7 iterations. iteration 1145: trace = 2.393052292326862 (5.68591e-06% change) linmin: converged after 21 iterations. iteration 1146: trace = 2.393052178997177 (4.73578e-06% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.393052085976461 (3.88712e-06% change) linmin: converged after 15 iterations. iteration 1148: trace = 2.393051973227678 (4.71151e-06% change) linmin: converged after 18 iterations. iteration 1149: trace = 2.393051919144841 (2.25999e-06% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.393051817817489 (4.23423e-06% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.393051757785931 (2.50858e-06% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393051650474429 (4.4843e-06% change) linmin: converged after 9 iterations. iteration 1153: trace = 2.393051547210451 (4.31516e-06% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393051497212539 (2.0893e-06% change) large trace change predicted (8.09282e-06%) linmin: converged after 4 iterations. iteration 1155: trace = 2.393051303548169 (8.09278e-06% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.393051246490884 (2.38429e-06% change) large trace change predicted (1.28021e-05%) linmin: converged after 4 iterations. iteration 1157: trace = 2.393050940136558 (1.28018e-05% change) linmin: converged after 5 iterations. iteration 1158: trace = 2.393050633913529 (1.27963e-05% change) linmin: converged after 5 iterations. iteration 1159: trace = 2.393050426135584 (8.68256e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393050014770256 (1.719e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393049863877453 (6.30546e-06% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.393049672894141 (7.98075e-06% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.393049558484056 (4.78093e-06% change) linmin: converged after 10 iterations. iteration 1164: trace = 2.393049526234221 (1.34765e-06% change) large trace change predicted (2.74476e-06%) linmin: converged after 4 iterations. iteration 1165: trace = 2.393049460550655 (2.74476e-06% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393049390118983 (2.94318e-06% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.393049363325281 (1.11965e-06% change) large trace change predicted (4.35704e-06%) linmin: converged after 7 iterations. iteration 1168: trace = 2.393049259059905 (4.35701e-06% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.393049230382702 (1.19835e-06% change) large trace change predicted (3.16191e-06%) linmin: converged after 4 iterations. iteration 1170: trace = 2.393049154716225 (3.16193e-06% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.393049072669999 (3.42852e-06% change) linmin: converged after 5 iterations. iteration 1172: trace = 2.39304903426945 (1.60467e-06% change) large trace change predicted (4.05615e-06%) linmin: converged after 4 iterations. iteration 1173: trace = 2.393048937205764 (4.05607e-06% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.393048855806208 (3.4015e-06% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.393048800788928 (2.29905e-06% change) large trace change predicted (4.81272e-06%) linmin: converged after 3 iterations. iteration 1176: trace = 2.393048685618508 (4.81271e-06% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.393048647964936 (1.57346e-06% change) large trace change predicted (7.01633e-06%) linmin: converged after 7 iterations. iteration 1178: trace = 2.393048480059437 (7.01638e-06% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.393048398886548 (3.39203e-06% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.393048327179467 (2.99647e-06% change) linmin: converged after 5 iterations. iteration 1181: trace = 2.393048187641832 (5.83096e-06% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.393048155801966 (1.33052e-06% change) large trace change predicted (2.89437e-06%) linmin: converged after 4 iterations. iteration 1183: trace = 2.393048086539163 (2.89433e-06% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.393048059027911 (1.14963e-06% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.393048038484825 (8.58449e-07% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.393048023757459 (6.15423e-07% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393048016414866 (3.0683e-07% change) large trace change predicted (7.18518e-07%) linmin: converged after 5 iterations. iteration 1188: trace = 2.393047999219796 (7.18543e-07% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.393047967625424 (1.32026e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393047947561436 (8.38428e-07% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393047923667888 (9.98457e-07% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393047916988678 (2.79109e-07% change) linmin: converged after 5 iterations. iteration 1193: trace = 2.393047904038039 (5.41178e-07% change) large trace change predicted (1.17316e-06%) linmin: converged after 4 iterations. iteration 1194: trace = 2.393047875963763 (1.17316e-06% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393047864009566 (4.99539e-07% change) large trace change predicted (2.01139e-06%) linmin: converged after 4 iterations. iteration 1196: trace = 2.393047815875889 (2.0114e-06% change) linmin: converged after 9 iterations. iteration 1197: trace = 2.393047748350392 (2.82174e-06% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.393047695124176 (2.2242e-06% change) large trace change predicted (5.32856e-06%) linmin: converged after 7 iterations. iteration 1199: trace = 2.393047567611163 (5.32848e-06% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.393047498561061 (2.88545e-06% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.393047415199051 (3.48351e-06% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.393047295272089 (5.01147e-06% change) linmin: converged after 13 iterations. iteration 1203: trace = 2.393047271790389 (9.81247e-07% change) large trace change predicted (4.26972e-06%) linmin: converged after 4 iterations. iteration 1204: trace = 2.393047169613124 (4.26976e-06% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.393047101037706 (2.86561e-06% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393047070561835 (1.27352e-06% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393047014100219 (2.3594e-06% change) linmin: converged after 7 iterations. iteration 1208: trace = 2.393046964400122 (2.07685e-06% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393046922481839 (1.75167e-06% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.393046855610147 (2.79442e-06% change) linmin: converged after 10 iterations. iteration 1211: trace = 2.393046822384393 (1.38843e-06% change) linmin: converged after 12 iterations. iteration 1212: trace = 2.393046777420315 (1.87895e-06% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.3930467559094 (8.98892e-07% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.393046714283628 (1.73945e-06% change) linmin: converged after 4 iterations. iteration 1215: trace = 2.393046647159569 (2.80496e-06% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.393046618044147 (1.21667e-06% change) large trace change predicted (5.04378e-06%) linmin: converged after 4 iterations. iteration 1217: trace = 2.393046497343111 (5.04382e-06% change) linmin: converged after 7 iterations. iteration 1218: trace = 2.393046441524758 (2.33252e-06% change) large trace change predicted (6.59313e-06%) linmin: converged after 12 iterations. iteration 1219: trace = 2.393046283746031 (6.59322e-06% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393046073002106 (8.80651e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393045965161225 (4.50643e-06% change) large trace change predicted (9.36847e-06%) linmin: converged after 4 iterations. iteration 1222: trace = 2.393045740967892 (9.36853e-06% change) linmin: converged after 8 iterations. iteration 1223: trace = 2.393045694803439 (1.92911e-06% change) large trace change predicted (4.34704e-06%) linmin: converged after 4 iterations. iteration 1224: trace = 2.393045590776737 (4.34704e-06% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393045530747066 (2.50851e-06% change) linmin: converged after 7 iterations. iteration 1226: trace = 2.393045508600661 (9.25449e-07% change) large trace change predicted (2.14741e-06%) linmin: converged after 3 iterations. iteration 1227: trace = 2.393045457212558 (2.14739e-06% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.393045420472612 (1.53528e-06% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393045381572905 (1.62553e-06% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.393045325525357 (2.3421e-06% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.393045305231889 (8.48019e-07% change) large trace change predicted (2.99011e-06%) linmin: converged after 4 iterations. iteration 1232: trace = 2.393045233676639 (2.99013e-06% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.393045206440279 (1.13815e-06% change) large trace change predicted (2.46104e-06%) linmin: converged after 5 iterations. iteration 1234: trace = 2.393045147546375 (2.46104e-06% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.393045048343727 (4.14546e-06% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.393045015027994 (1.39219e-06% change) large trace change predicted (8.42607e-06%) linmin: converged after 17 iterations. iteration 1237: trace = 2.393044813384 (8.42625e-06% change) linmin: converged after 7 iterations. iteration 1238: trace = 2.393044734446117 (3.29864e-06% change) large trace change predicted (1.16298e-05%) linmin: converged after 5 iterations. iteration 1239: trace = 2.393044456127801 (1.16303e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.393044306117916 (6.26858e-06% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.393044184071984 (5.10003e-06% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.393043998039914 (7.77387e-06% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.393043955033063 (1.79716e-06% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.393043872842907 (3.43454e-06% change) linmin: converged after 9 iterations. iteration 1245: trace = 2.393043841931693 (1.29171e-06% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.393043786965595 (2.29691e-06% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.393043757389542 (1.23592e-06% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.393043734574912 (9.53373e-07% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393043710572849 (1.00299e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393043694718971 (6.62498e-07% change) large trace change predicted (2.86878e-06%) linmin: converged after 5 iterations. iteration 1251: trace = 2.393043626068016 (2.86877e-06% change) linmin: converged after 5 iterations. iteration 1252: trace = 2.39304358606922 (1.67146e-06% change) large trace change predicted (5.93772e-06%) linmin: converged after 5 iterations. iteration 1253: trace = 2.393043443977348 (5.93771e-06% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393043331829206 (4.68642e-06% change) linmin: converged after 18 iterations. iteration 1255: trace = 2.393043156272861 (7.33611e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.393042937491655 (9.14238e-06% change) linmin: converged after 5 iterations. iteration 1257: trace = 2.393042835473432 (4.26312e-06% change) linmin: converged after 4 iterations. iteration 1258: trace = 2.393042688906305 (6.12472e-06% change) linmin: converged after 9 iterations. iteration 1259: trace = 2.393042580942389 (4.51158e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393042494444168 (3.61457e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.39304237227144 (5.10533e-06% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.393042243073924 (5.39888e-06% change) linmin: converged after 16 iterations. iteration 1263: trace = 2.393042128941284 (4.76935e-06% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.393041958163209 (7.13644e-06% change) linmin: converged after 5 iterations. iteration 1265: trace = 2.393041922584542 (1.48675e-06% change) large trace change predicted (3.82482e-06%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393041831054881 (3.82482e-06% change) linmin: converged after 6 iterations. iteration 1267: trace = 2.393041791783825 (1.64105e-06% change) linmin: converged after 5 iterations. iteration 1268: trace = 2.393041778601877 (5.50845e-07% change) linmin: converged after 18 iterations. iteration 1269: trace = 2.393041760731506 (7.46764e-07% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.393041742172457 (7.75542e-07% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.393041734290477 (3.29371e-07% change) large trace change predicted (1.24361e-06%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393041704530217 (1.24362e-06% change) linmin: converged after 6 iterations. iteration 1273: trace = 2.39304169177772 (5.32899e-07% change) large trace change predicted (1.25106e-06%) linmin: converged after 4 iterations. iteration 1274: trace = 2.393041661839282 (1.25106e-06% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.393041609769208 (2.1759e-06% change) linmin: converged after 5 iterations. iteration 1276: trace = 2.393041577259654 (1.3585e-06% change) large trace change predicted (3.94594e-06%) linmin: converged after 4 iterations. iteration 1277: trace = 2.393041482832614 (3.9459e-06% change) linmin: converged after 12 iterations. iteration 1278: trace = 2.393041396969246 (3.58804e-06% change) linmin: converged after 10 iterations. iteration 1279: trace = 2.393041337007489 (2.50567e-06% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.393041261513101 (3.15475e-06% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.393041240384274 (8.82928e-07% change) linmin: converged after 5 iterations. iteration 1282: trace = 2.393041211258452 (1.2171e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393041183268687 (1.16963e-06% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.393041174510145 (3.66e-07% change) large trace change predicted (9.83093e-07%) linmin: converged after 4 iterations. iteration 1285: trace = 2.393041150984479 (9.83087e-07% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393041146117166 (2.03394e-07% change) large trace change predicted (7.89198e-07%) linmin: converged after 4 iterations. iteration 1287: trace = 2.393041127231414 (7.89195e-07% change) linmin: converged after 5 iterations. iteration 1288: trace = 2.393041118407331 (3.68739e-07% change) linmin: converged after 9 iterations. iteration 1289: trace = 2.393041107212448 (4.6781e-07% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.393041092008245 (6.35351e-07% change) linmin: converged after 4 iterations. iteration 1291: trace = 2.393041086023486 (2.5009e-07% change) large trace change predicted (7.32309e-07%) linmin: converged after 4 iterations. iteration 1292: trace = 2.393041068498797 (7.32319e-07% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.393041055230614 (5.54449e-07% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393041037293166 (7.49567e-07% change) large trace change predicted (1.5871e-06%) linmin: converged after 8 iterations. iteration 1295: trace = 2.393040999313733 (1.58708e-06% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.393040977636887 (9.05828e-07% change) large trace change predicted (1.98654e-06%) linmin: converged after 6 iterations. iteration 1297: trace = 2.393040930097839 (1.98655e-06% change) linmin: converged after 10 iterations. iteration 1298: trace = 2.39304089024491 (1.66537e-06% change) linmin: converged after 6 iterations. iteration 1299: trace = 2.39304087043698 (8.27731e-07% change) large trace change predicted (1.75246e-06%) linmin: converged after 4 iterations. iteration 1300: trace = 2.39304082850022 (1.75245e-06% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.393040823596781 (2.04904e-07% change) large trace change predicted (7.02836e-07%) linmin: converged after 4 iterations. iteration 1302: trace = 2.393040806777944 (7.02823e-07% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.393040799199992 (3.16666e-07% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.393040793588882 (2.34476e-07% change) linmin: converged after 6 iterations. iteration 1305: trace = 2.393040785610138 (3.33414e-07% change) linmin: converged after 3 iterations. iteration 1306: trace = 2.393040781529431 (1.70524e-07% change) large trace change predicted (5.7901e-07%) linmin: converged after 4 iterations. iteration 1307: trace = 2.393040767673701 (5.79001e-07% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.393040764117479 (1.48607e-07% change) large trace change predicted (4.67503e-07%) linmin: converged after 5 iterations. iteration 1309: trace = 2.393040752930362 (4.67485e-07% change) linmin: converged after 17 iterations. iteration 1310: trace = 2.393040744338404 (3.59039e-07% change) linmin: converged after 5 iterations. iteration 1311: trace = 2.393040738644882 (2.3792e-07% change) large trace change predicted (5.43118e-07%) linmin: converged after 4 iterations. iteration 1312: trace = 2.39304072564791 (5.43115e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393040720932457 (1.97049e-07% change) large trace change predicted (6.63301e-07%) linmin: converged after 9 iterations. iteration 1314: trace = 2.393040705059309 (6.63305e-07% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.393040700724848 (1.81128e-07% change) large trace change predicted (6.34246e-07%) linmin: converged after 7 iterations. iteration 1316: trace = 2.393040685546813 (6.34257e-07% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393040675332705 (4.26825e-07% change) linmin: converged after 4 iterations. iteration 1318: trace = 2.39304066151545 (5.77393e-07% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.393040642637224 (7.8888e-07% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393040635856141 (2.83367e-07% change) large trace change predicted (6.73284e-07%) linmin: converged after 4 iterations. iteration 1321: trace = 2.39304061974444 (6.73273e-07% change) linmin: converged after 5 iterations. iteration 1322: trace = 2.393040614532548 (2.17794e-07% change) linmin: converged after 4 iterations. iteration 1323: trace = 2.393040609337865 (2.17075e-07% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.39304060472102 (1.92928e-07% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.393040603294851 (5.95965e-08% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393040601248568 (8.55098e-08% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.39304059953517 (7.15992e-08% change) linmin: converged after 15 iterations. iteration 1328: trace = 2.393040597550162 (8.29492e-08% change) large trace change predicted (4.12466e-07%) linmin: converged after 4 iterations. iteration 1329: trace = 2.393040587679593 (4.1247e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393040580465429 (3.01464e-07% change) linmin: converged after 14 iterations. iteration 1331: trace = 2.393040577823084 (1.10418e-07% change) linmin: converged after 14 iterations. iteration 1332: trace = 2.393040576387055 (6.00086e-08% change) linmin: converged after 4 iterations. iteration 1333: trace = 2.393040574178111 (9.2307e-08% change) linmin: converged after 8 iterations. iteration 1334: trace = 2.393040571499711 (1.11925e-07% change) linmin: converged after 4 iterations. iteration 1335: trace = 2.393040569596532 (7.95297e-08% change) large trace change predicted (2.07021e-07%) linmin: converged after 9 iterations. iteration 1336: trace = 2.393040564642132 (2.07034e-07% change) linmin: converged after 5 iterations. iteration 1337: trace = 2.393040562209758 (1.01644e-07% change) large trace change predicted (3.27307e-07%) linmin: converged after 5 iterations. iteration 1338: trace = 2.393040554376739 (3.27325e-07% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.39304054180474 (5.25357e-07% change) linmin: converged after 5 iterations. iteration 1340: trace = 2.393040536268622 (2.31342e-07% change) large trace change predicted (8.41378e-07%) linmin: converged after 6 iterations. iteration 1341: trace = 2.393040516134218 (8.41373e-07% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393040509658384 (2.70611e-07% change) large trace change predicted (6.27711e-07%) linmin: converged after 5 iterations. iteration 1343: trace = 2.393040494636819 (6.27719e-07% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.393040483906091 (4.48414e-07% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.393040478143857 (2.40791e-07% change) linmin: converged after 4 iterations. iteration 1346: trace = 2.393040468039669 (4.22232e-07% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.39304046164321 (2.67294e-07% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393040455019982 (2.7677e-07% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.393040446387974 (3.60713e-07% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304044186389 (1.89052e-07% change) linmin: converged after 6 iterations. iteration 1351: trace = 2.393040433127564 (3.65072e-07% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.393040430405385 (1.13754e-07% change) large trace change predicted (2.37904e-07%) linmin: converged after 2 iterations. iteration 1353: trace = 2.39304042471267 (2.37886e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393040418036548 (2.78981e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393040414749368 (1.37364e-07% change) large trace change predicted (3.46598e-07%) linmin: converged after 4 iterations. iteration 1356: trace = 2.393040406455357 (3.46589e-07% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.393040402297147 (1.73763e-07% change) large trace change predicted (4.16905e-07%) linmin: converged after 4 iterations. iteration 1358: trace = 2.393040392320467 (4.16904e-07% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.393040386980613 (2.23141e-07% change) large trace change predicted (7.85649e-07%) linmin: converged after 5 iterations. iteration 1360: trace = 2.393040368179305 (7.85666e-07% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.393040352236456 (6.66217e-07% change) linmin: converged after 13 iterations. iteration 1362: trace = 2.393040327731612 (1.024e-06% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.393040306640131 (8.81368e-07% change) linmin: converged after 4 iterations. iteration 1364: trace = 2.393040292668296 (5.83853e-07% change) linmin: converged after 9 iterations. iteration 1365: trace = 2.393040273055593 (8.19573e-07% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.39304026730585 (2.40269e-07% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.393040258702672 (3.59508e-07% change) linmin: converged after 3 iterations. iteration 1368: trace = 2.393040254815388 (1.62441e-07% change) large trace change predicted (3.27987e-07%) linmin: converged after 4 iterations. iteration 1369: trace = 2.393040246966732 (3.27978e-07% change) linmin: converged after 12 iterations. iteration 1370: trace = 2.393040243101726 (1.6151e-07% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.393040235708201 (3.0896e-07% change) linmin: converged after 11 iterations. iteration 1372: trace = 2.393040230937914 (1.9934e-07% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393040224500106 (2.69022e-07% change) linmin: converged after 14 iterations. iteration 1374: trace = 2.393040220421217 (1.70448e-07% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393040215926551 (1.87822e-07% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393040210289981 (2.3554e-07% change) linmin: converged after 3 iterations. iteration 1377: trace = 2.393040207044586 (1.35618e-07% change) large trace change predicted (3.54976e-07%) linmin: converged after 4 iterations. iteration 1378: trace = 2.393040198549409 (3.54995e-07% change) linmin: converged after 5 iterations. iteration 1379: trace = 2.393040191185979 (3.07702e-07% change) linmin: converged after 10 iterations. iteration 1380: trace = 2.393040180878069 (4.30745e-07% change) linmin: converged after 4 iterations. iteration 1381: trace = 2.393040166052206 (6.19541e-07% change) linmin: converged after 5 iterations. iteration 1382: trace = 2.393040151916325 (5.90708e-07% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393040131334559 (8.60068e-07% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.393040102936467 (1.1867e-06% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.393040086361743 (6.92622e-07% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393040060741587 (1.07061e-06% change) linmin: converged after 12 iterations. iteration 1387: trace = 2.393040044306737 (6.86777e-07% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.393040035905734 (3.5106e-07% change) linmin: converged after 4 iterations. iteration 1389: trace = 2.393040029733259 (2.57934e-07% change) linmin: converged after 4 iterations. iteration 1390: trace = 2.393040024374545 (2.23929e-07% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393040019852315 (1.88974e-07% change) linmin: converged after 8 iterations. iteration 1392: trace = 2.393040015705451 (1.73289e-07% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393040013171896 (1.05872e-07% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.393040009440699 (1.55919e-07% change) linmin: converged after 5 iterations. iteration 1395: trace = 2.393040007625822 (7.58398e-08% change) large trace change predicted (3.22288e-07%) linmin: converged after 4 iterations. iteration 1396: trace = 2.393039999913313 (3.22289e-07% change) linmin: converged after 5 iterations. iteration 1397: trace = 2.393039995345873 (1.90864e-07% change) large trace change predicted (5.44068e-07%) linmin: converged after 4 iterations. iteration 1398: trace = 2.39303998232581 (5.4408e-07% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.393039973329971 (3.75917e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393039966046413 (3.04364e-07% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.393039959739344 (2.63559e-07% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.393039951297119 (3.52782e-07% change) linmin: converged after 12 iterations. iteration 1403: trace = 2.39303994944239 (7.75052e-08% change) large trace change predicted (1.97152e-07%) linmin: converged after 5 iterations. iteration 1404: trace = 2.393039944724751 (1.9714e-07% change) linmin: converged after 11 iterations. iteration 1405: trace = 2.393039941961282 (1.15479e-07% change) large trace change predicted (2.69752e-07%) linmin: converged after 4 iterations. iteration 1406: trace = 2.393039935505679 (2.69766e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393039928260118 (3.02776e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393039924873118 (1.41535e-07% change) large trace change predicted (3.03458e-07%) linmin: converged after 5 iterations. iteration 1409: trace = 2.393039917611174 (3.03461e-07% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.393039907854973 (4.07691e-07% change) linmin: converged after 4 iterations. iteration 1411: trace = 2.393039901783208 (2.53726e-07% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.39303989149737 (4.29823e-07% change) linmin: converged after 4 iterations. iteration 1413: trace = 2.393039885759657 (2.39767e-07% change) linmin: converged after 4 iterations. iteration 1414: trace = 2.393039877549211 (3.43097e-07% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.393039862599887 (6.247e-07% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.393039855733734 (2.86922e-07% change) large trace change predicted (7.28544e-07%) linmin: converged after 4 iterations. iteration 1417: trace = 2.393039838299295 (7.28548e-07% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039825994102 (5.14208e-07% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039817924723 (3.37202e-07% change) linmin: converged after 17 iterations. iteration 1420: trace = 2.393039808595072 (3.89866e-07% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393039805693648 (1.21244e-07% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.393039802246433 (1.44052e-07% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.39303979895529 (1.3753e-07% change) linmin: converged after 11 iterations. iteration 1424: trace = 2.393039798255055 (2.92613e-08% change) large trace change predicted (1.17993e-07%) linmin: converged after 3 iterations. iteration 1425: trace = 2.393039795431879 (1.17974e-07% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.393039794552078 (3.6765e-08% change) large trace change predicted (1.13789e-07%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393039791828929 (1.13795e-07% change) linmin: converged after 12 iterations. iteration 1428: trace = 2.393039788130563 (1.54547e-07% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.393039785570439 (1.06982e-07% change) large trace change predicted (3.96916e-07%) linmin: converged after 4 iterations. iteration 1430: trace = 2.393039776071572 (3.96937e-07% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.393039766972256 (3.80241e-07% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.393039760834495 (2.56484e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393039751063575 (4.08306e-07% change) linmin: converged after 5 iterations. iteration 1434: trace = 2.393039748442839 (1.09515e-07% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393039744679854 (1.57247e-07% change) linmin: converged after 4 iterations. iteration 1436: trace = 2.393039739195992 (2.29159e-07% change) linmin: converged after 5 iterations. iteration 1437: trace = 2.393039737673612 (6.3617e-08% change) large trace change predicted (1.63285e-07%) linmin: converged after 3 iterations. iteration 1438: trace = 2.393039733765839 (1.63297e-07% change) linmin: converged after 4 iterations. iteration 1439: trace = 2.393039730832399 (1.22582e-07% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.39303972807751 (1.15121e-07% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.393039726446243 (6.81672e-08% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.393039725614436 (3.47594e-08% change) linmin: converged after 3 iterations. iteration 1443: trace = 2.393039723965023 (6.89254e-08% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393039723039279 (3.86849e-08% change) linmin: converged after 19 iterations. iteration 1445: trace = 2.393039721569313 (6.14267e-08% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393039719204475 (9.88215e-08% change) linmin: converged after 18 iterations. iteration 1447: trace = 2.393039717647883 (6.50466e-08% change) large trace change predicted (1.47227e-07%) linmin: converged after 7 iterations. iteration 1448: trace = 2.393039714124905 (1.47218e-07% change) linmin: converged after 5 iterations. iteration 1449: trace = 2.393039712100749 (8.45852e-08% change) linmin: converged after 14 iterations. iteration 1450: trace = 2.393039708097894 (1.67271e-07% change) linmin: converged after 5 iterations. iteration 1451: trace = 2.393039705040056 (1.2778e-07% change) linmin: converged after 17 iterations. iteration 1452: trace = 2.393039701713394 (1.39014e-07% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.393039698511534 (1.33799e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393039696323006 (9.14539e-08% change) linmin: converged after 5 iterations. iteration 1455: trace = 2.393039694318851 (8.37493e-08% change) linmin: converged after 7 iterations. iteration 1456: trace = 2.393039693207895 (4.64245e-08% change) linmin: converged after 3 iterations. iteration 1457: trace = 2.393039692001463 (5.04142e-08% change) linmin: converged after 13 iterations. iteration 1458: trace = 2.3930396914881 (2.14523e-08% change) large trace change predicted (5.20299e-08%) linmin: converged after 4 iterations. iteration 1459: trace = 2.393039690243272 (5.20187e-08% change) linmin: converged after 7 iterations. iteration 1460: trace = 2.393039689909187 (1.39607e-08% change) large trace change predicted (4.96809e-08%) linmin: converged after 5 iterations. iteration 1461: trace = 2.393039688720449 (4.96749e-08% change) linmin: converged after 5 iterations. iteration 1462: trace = 2.393039688437892 (1.18074e-08% change) large trace change predicted (3.87266e-08%) linmin: converged after 9 iterations. iteration 1463: trace = 2.39303968751105 (3.87307e-08% change) linmin: converged after 5 iterations. iteration 1464: trace = 2.393039687181636 (1.37655e-08% change) large trace change predicted (5.81374e-08%) linmin: converged after 4 iterations. iteration 1465: trace = 2.393039685790283 (5.81416e-08% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393039684776068 (4.23819e-08% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393039683264678 (6.31578e-08% change) linmin: converged after 15 iterations. iteration 1468: trace = 2.393039682871513 (1.64295e-08% change) large trace change predicted (7.14962e-08%) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039681160638 (7.14938e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1470: trace = 2.393039680166377 (4.1548e-08% change) linmin: converged after 4 iterations. iteration 1471: trace = 2.393039679550376 (2.57414e-08% change) linmin: converged after 4 iterations. iteration 1472: trace = 2.393039678583452 (4.04057e-08% change) linmin: converged after 4 iterations. iteration 1473: trace = 2.393039677720533 (3.60596e-08% change) linmin: converged after 7 iterations. iteration 1474: trace = 2.393039676021905 (7.0982e-08% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039674815157 (5.04274e-08% change) linmin: converged after 12 iterations. iteration 1476: trace = 2.393039674327643 (2.03722e-08% change) linmin: converged after 4 iterations. iteration 1477: trace = 2.393039673442761 (3.69773e-08% change) linmin: converged after 5 iterations. iteration 1478: trace = 2.393039673065327 (1.57722e-08% change) large trace change predicted (4.16376e-08%) linmin: converged after 5 iterations. iteration 1479: trace = 2.393039672069202 (4.16259e-08% change) linmin: converged after 15 iterations. iteration 1480: trace = 2.393039671024631 (4.36504e-08% change) linmin: converged after 4 iterations. iteration 1481: trace = 2.393039670556782 (1.95504e-08% change) large trace change predicted (7.13355e-08%) linmin: converged after 4 iterations. iteration 1482: trace = 2.393039668849255 (7.13539e-08% change) linmin: converged after 4 iterations. iteration 1483: trace = 2.39303966816326 (2.86663e-08% change) large trace change predicted (1.1222e-07%) linmin: converged after 7 iterations. iteration 1484: trace = 2.393039665477931 (1.12214e-07% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393039663357443 (8.86107e-08% change) linmin: converged after 4 iterations. iteration 1486: trace = 2.393039660253508 (1.29707e-07% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393039656745905 (1.46575e-07% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393039655535391 (5.05848e-08% change) large trace change predicted (1.63161e-07%) linmin: converged after 4 iterations. iteration 1489: trace = 2.393039651630815 (1.63164e-07% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393039650422425 (5.0496e-08% change) linmin: converged after 4 iterations. iteration 1491: trace = 2.39303964816717 (9.42423e-08% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.393039647215166 (3.97822e-08% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.393039646510904 (2.94296e-08% change) linmin: converged after 5 iterations. iteration 1494: trace = 2.393039645285069 (5.1225e-08% change) linmin: converged after 12 iterations. iteration 1495: trace = 2.393039644921993 (1.51722e-08% change) large trace change predicted (6.48959e-08%) linmin: converged after 6 iterations. iteration 1496: trace = 2.393039643368809 (6.49042e-08% change) linmin: converged after 6 iterations. iteration 1497: trace = 2.393039642777997 (2.46887e-08% change) large trace change predicted (6.67852e-08%) linmin: converged after 14 iterations. iteration 1498: trace = 2.393039641180009 (6.67765e-08% change) linmin: converged after 4 iterations. iteration 1499: trace = 2.393039639338971 (7.6933e-08% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393039638168414 (4.89151e-08% change) large trace change predicted (1.15279e-07%) linmin: converged after 4 iterations. iteration 1501: trace = 2.393039635409903 (1.15272e-07% change) linmin: converged after 22 iterations. iteration 1502: trace = 2.393039634096779 (5.48726e-08% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.39303963164951 (1.02266e-07% change) linmin: converged after 4 iterations. iteration 1504: trace = 2.393039628167269 (1.45515e-07% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393039625680733 (1.03907e-07% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393039621200853 (1.87205e-07% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393039618457916 (1.14621e-07% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393039613353535 (2.13301e-07% change) linmin: converged after 5 iterations. iteration 1509: trace = 2.393039610233413 (1.30383e-07% change) linmin: converged after 6 iterations. iteration 1510: trace = 2.39303960787677 (9.84791e-08% change) linmin: converged after 3 iterations. iteration 1511: trace = 2.393039606170299 (7.13098e-08% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.39303960506194 (4.6316e-08% change) linmin: converged after 3 iterations. iteration 1513: trace = 2.393039604076756 (4.11687e-08% change) linmin: converged after 15 iterations. iteration 1514: trace = 2.393039603610784 (1.94719e-08% change) large trace change predicted (4.11258e-08%) linmin: converged after 6 iterations. iteration 1515: trace = 2.393039602626793 (4.11189e-08% change) linmin: converged after 4 iterations. iteration 1516: trace = 2.393039601960144 (2.78578e-08% change) linmin: converged after 10 iterations. iteration 1517: trace = 2.393039600735031 (5.11949e-08% change) linmin: converged after 15 iterations. iteration 1518: trace = 2.393039598961888 (7.40958e-08% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393039597182844 (7.43424e-08% change) linmin: converged after 4 iterations. iteration 1520: trace = 2.393039594250012 (1.22557e-07% change) linmin: converged after 4 iterations. iteration 1521: trace = 2.393039592350489 (7.9377e-08% change) large trace change predicted (2.98063e-07%) linmin: converged after 4 iterations. iteration 1522: trace = 2.393039585217721 (2.98063e-07% change) linmin: converged after 4 iterations. iteration 1523: trace = 2.39303958290277 (9.67369e-08% change) large trace change predicted (2.63499e-07%) linmin: converged after 4 iterations. iteration 1524: trace = 2.393039576596954 (2.63507e-07% change) linmin: converged after 10 iterations. iteration 1525: trace = 2.393039573924609 (1.11672e-07% change) linmin: converged after 5 iterations. iteration 1526: trace = 2.393039571534072 (9.98954e-08% change) linmin: converged after 4 iterations. iteration 1527: trace = 2.393039568020138 (1.4684e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393039566869273 (4.80922e-08% change) large trace change predicted (1.29764e-07%) linmin: converged after 5 iterations. iteration 1529: trace = 2.393039563763715 (1.29775e-07% change) linmin: converged after 15 iterations. iteration 1530: trace = 2.393039562685905 (4.50394e-08% change) large trace change predicted (1.04735e-07%) linmin: converged after 4 iterations. iteration 1531: trace = 2.393039560179912 (1.0472e-07% change) linmin: converged after 22 iterations. iteration 1532: trace = 2.393039559216768 (4.02477e-08% change) large trace change predicted (9.04954e-08%) linmin: converged after 8 iterations. iteration 1533: trace = 2.393039557051122 (9.04977e-08% change) linmin: converged after 15 iterations. iteration 1534: trace = 2.393039555727502 (5.53112e-08% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393039555042599 (2.86206e-08% change) large trace change predicted (6.66918e-08%) linmin: converged after 5 iterations. iteration 1536: trace = 2.393039553446658 (6.6691e-08% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393039552997829 (1.87556e-08% change) large trace change predicted (4.05058e-08%) linmin: converged after 15 iterations. iteration 1538: trace = 2.393039552028569 (4.05033e-08% change) linmin: converged after 3 iterations. iteration 1539: trace = 2.393039551435999 (2.47623e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1540: trace = 2.393039551045645 (1.6312e-08% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393039550378476 (2.78796e-08% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.393039549516678 (3.60127e-08% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393039548997058 (2.17138e-08% change) large trace change predicted (7.18249e-08%) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039547278004 (7.18356e-08% change) linmin: converged after 9 iterations. iteration 1545: trace = 2.393039546349622 (3.87951e-08% change) linmin: converged after 4 iterations. iteration 1546: trace = 2.393039544672926 (7.00655e-08% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393039543099079 (6.57677e-08% change) linmin: converged after 4 iterations. iteration 1548: trace = 2.393039542073008 (4.28773e-08% change) large trace change predicted (9.84477e-08%) linmin: converged after 5 iterations. iteration 1549: trace = 2.39303953971701 (9.84521e-08% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.39303953811054 (6.71309e-08% change) linmin: converged after 10 iterations. iteration 1551: trace = 2.39303953611149 (8.3536e-08% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393039533750612 (9.86561e-08% change) linmin: converged after 5 iterations. iteration 1553: trace = 2.393039532245778 (6.28838e-08% change) large trace change predicted (1.54698e-07%) linmin: converged after 4 iterations. iteration 1554: trace = 2.393039528544007 (1.54689e-07% change) linmin: converged after 3 iterations. iteration 1555: trace = 2.393039526941381 (6.69703e-08% change) linmin: converged after 3 iterations. iteration 1556: trace = 2.393039523805046 (1.31061e-07% change) linmin: converged after 5 iterations. iteration 1557: trace = 2.393039521291419 (1.05039e-07% change) linmin: converged after 6 iterations. iteration 1558: trace = 2.393039520186697 (4.6164e-08% change) linmin: converged after 3 iterations. iteration 1559: trace = 2.393039518274729 (7.98971e-08% change) linmin: converged after 6 iterations. iteration 1560: trace = 2.393039517758407 (2.1576e-08% change) large trace change predicted (4.57378e-08%) linmin: converged after 7 iterations. iteration 1561: trace = 2.393039516663837 (4.57397e-08% change) linmin: converged after 12 iterations. iteration 1562: trace = 2.393039516187216 (1.9917e-08% change) linmin: converged after 4 iterations. iteration 1563: trace = 2.393039515981591 (8.59262e-09% change) large trace change predicted (2.97848e-08%) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039515268685 (2.97908e-08% change) linmin: converged after 7 iterations. iteration 1565: trace = 2.39303951479569 (1.97654e-08% change) linmin: converged after 3 iterations. iteration 1566: trace = 2.3930395140593 (3.07722e-08% change) linmin: converged after 3 iterations. iteration 1567: trace = 2.393039513181621 (3.66763e-08% change) linmin: converged after 11 iterations. iteration 1568: trace = 2.393039512646754 (2.23509e-08% change) large trace change predicted (4.88222e-08%) linmin: converged after 5 iterations. iteration 1569: trace = 2.393039511478558 (4.88164e-08% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039509732215 (7.29759e-08% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393039509176642 (2.32162e-08% change) large trace change predicted (7.76329e-08%) linmin: converged after 4 iterations. iteration 1572: trace = 2.39303950731891 (7.76306e-08% change) linmin: converged after 5 iterations. iteration 1573: trace = 2.393039506243734 (4.49293e-08% change) linmin: converged after 5 iterations. iteration 1574: trace = 2.393039505347019 (3.74718e-08% change) linmin: converged after 8 iterations. iteration 1575: trace = 2.393039503784988 (6.52739e-08% change) linmin: converged after 6 iterations. iteration 1576: trace = 2.393039502734971 (4.3878e-08% change) linmin: converged after 3 iterations. iteration 1577: trace = 2.393039501388015 (5.62864e-08% change) linmin: converged after 4 iterations. iteration 1578: trace = 2.393039500304252 (4.52882e-08% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393039500081274 (9.31778e-09% change) large trace change predicted (2.11524e-08%) linmin: converged after 4 iterations. iteration 1580: trace = 2.393039499575118 (2.11512e-08% change) linmin: converged after 3 iterations. iteration 1581: trace = 2.393039499291119 (1.18677e-08% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393039499169742 (5.07205e-09% change) large trace change predicted (1.38671e-08%) linmin: converged after 3 iterations. iteration 1583: trace = 2.393039498838404 (1.38459e-08% change) linmin: converged after 5 iterations. iteration 1584: trace = 2.393039498665226 (7.23675e-09% change) large trace change predicted (2.0901e-08%) linmin: converged after 8 iterations. iteration 1585: trace = 2.393039498164887 (2.09081e-08% change) linmin: converged after 15 iterations. iteration 1586: trace = 2.393039497398028 (3.20454e-08% change) linmin: converged after 5 iterations. iteration 1587: trace = 2.393039496949947 (1.87243e-08% change) linmin: converged after 12 iterations. iteration 1588: trace = 2.393039496108023 (3.51822e-08% change) linmin: converged after 12 iterations. iteration 1589: trace = 2.393039494922017 (4.95607e-08% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.393039494217895 (2.94238e-08% change) linmin: converged after 5 iterations. iteration 1591: trace = 2.393039493122616 (4.57693e-08% change) linmin: converged after 5 iterations. iteration 1592: trace = 2.393039492864662 (1.07794e-08% change) large trace change predicted (2.54462e-08%) linmin: converged after 3 iterations. iteration 1593: trace = 2.393039492255582 (2.54521e-08% change) linmin: converged after 3 iterations. iteration 1594: trace = 2.393039491909563 (1.44594e-08% change) linmin: converged after 3 iterations. iteration 1595: trace = 2.393039491767119 (5.95242e-09% change) large trace change predicted (1.2642e-08%) linmin: converged after 6 iterations. iteration 1596: trace = 2.39303949146463 (1.26404e-08% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039491352178 (4.69914e-09% change) large trace change predicted (1.16861e-08%) linmin: converged after 3 iterations. iteration 1598: trace = 2.393039491072554 (1.16849e-08% change) linmin: converged after 3 iterations. iteration 1599: trace = 2.393039490909507 (6.81338e-09% change) linmin: converged after 3 iterations. iteration 1600: trace = 2.393039490781077 (5.36682e-09% change) large trace change predicted (1.15925e-08%) linmin: converged after 13 iterations. iteration 1601: trace = 2.393039490503157 (1.16137e-08% change) linmin: converged after 12 iterations. iteration 1602: trace = 2.393039490349005 (6.44167e-09% change) large trace change predicted (1.48413e-08%) linmin: converged after 15 iterations. iteration 1603: trace = 2.393039489993615 (1.4851e-08% change) linmin: converged after 5 iterations. iteration 1604: trace = 2.393039489802804 (7.9736e-09% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.39303948955998 (1.01471e-08% change) linmin: converged after 4 iterations. iteration 1606: trace = 2.393039489352978 (8.65019e-09% change) large trace change predicted (1.80773e-08%) linmin: converged after 4 iterations. iteration 1607: trace = 2.393039488920519 (1.80715e-08% change) large trace change predicted (5.41189e-08%) linmin: converged after 9 iterations. iteration 1608: trace = 2.393039487625458 (5.41178e-08% change) linmin: converged after 4 iterations. iteration 1609: trace = 2.393039486940449 (2.86251e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1610: trace = 2.393039486293925 (2.70169e-08% change) linmin: converged after 4 iterations. iteration 1611: trace = 2.393039485388955 (3.78167e-08% change) linmin: converged after 16 iterations. iteration 1612: trace = 2.393039484755132 (2.64861e-08% change) linmin: converged after 5 iterations. iteration 1613: trace = 2.393039484581986 (7.23542e-09% change) linmin: converged after 12 iterations. iteration 1614: trace = 2.393039484270076 (1.3034e-08% change) linmin: converged after 4 iterations. iteration 1615: trace = 2.3930394840887 (7.57933e-09% change) linmin: converged after 8 iterations. iteration 1616: trace = 2.393039483826325 (1.09641e-08% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.393039483556265 (1.12852e-08% change) linmin: converged after 4 iterations. iteration 1618: trace = 2.393039483413313 (5.97367e-09% change) linmin: converged after 4 iterations. iteration 1619: trace = 2.393039483222195 (7.98642e-09% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393039482975173 (1.03225e-08% change) linmin: converged after 3 iterations. iteration 1621: trace = 2.393039482905158 (2.92576e-09% change) large trace change predicted (1.03505e-08%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393039482657469 (1.03504e-08% change) linmin: converged after 4 iterations. iteration 1623: trace = 2.393039482463617 (8.1007e-09% change) linmin: converged after 15 iterations. iteration 1624: trace = 2.39303948231253 (6.31359e-09% change) large trace change predicted (1.79524e-08%) linmin: converged after 10 iterations. iteration 1625: trace = 2.393039481882585 (1.79665e-08% change) linmin: converged after 15 iterations. iteration 1626: trace = 2.393039481512064 (1.54833e-08% change) linmin: converged after 3 iterations. iteration 1627: trace = 2.393039481125546 (1.61518e-08% change) large trace change predicted (4.33055e-08%) linmin: converged after 11 iterations. iteration 1628: trace = 2.393039480089096 (4.3311e-08% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393039479778296 (1.29876e-08% change) large trace change predicted (4.01142e-08%) linmin: converged after 3 iterations. iteration 1630: trace = 2.393039478818425 (4.0111e-08% change) linmin: converged after 4 iterations. iteration 1631: trace = 2.393039478251282 (2.36997e-08% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393039477978005 (1.14197e-08% change) linmin: converged after 4 iterations. iteration 1633: trace = 2.393039477457784 (2.17389e-08% change) linmin: converged after 12 iterations. iteration 1634: trace = 2.393039477370332 (3.65444e-09% change) large trace change predicted (1.15765e-08%) linmin: converged after 4 iterations. iteration 1635: trace = 2.39303947709371 (1.15594e-08% change) linmin: converged after 18 iterations. iteration 1636: trace = 2.393039476968507 (5.23196e-09% change) linmin: converged after 7 iterations. iteration 1637: trace = 2.393039476828804 (5.83787e-09% change) linmin: converged after 13 iterations. iteration 1638: trace = 2.393039476564597 (1.10407e-08% change) linmin: converged after 15 iterations. iteration 1639: trace = 2.393039476411133 (6.41293e-09% change) large trace change predicted (1.87805e-08%) linmin: converged after 3 iterations. iteration 1640: trace = 2.393039475961852 (1.87745e-08% change) linmin: converged after 4 iterations. iteration 1641: trace = 2.393039475097981 (3.60993e-08% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393039474596353 (2.0962e-08% change) linmin: converged after 8 iterations. iteration 1643: trace = 2.393039473609147 (4.12532e-08% change) linmin: converged after 5 iterations. iteration 1644: trace = 2.39303947320107 (1.70527e-08% change) linmin: converged after 6 iterations. iteration 1645: trace = 2.393039472392492 (3.37887e-08% change) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039471941734 (1.88362e-08% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039471307997 (2.64825e-08% change) linmin: converged after 13 iterations. iteration 1648: trace = 2.393039470715139 (2.47743e-08% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039470151842 (2.3539e-08% change) linmin: converged after 12 iterations. iteration 1650: trace = 2.393039469530336 (2.59714e-08% change) linmin: converged after 5 iterations. iteration 1651: trace = 2.393039469337136 (8.07342e-09% change) large trace change predicted (2.03484e-08%) linmin: converged after 6 iterations. iteration 1652: trace = 2.393039468849951 (2.03584e-08% change) linmin: converged after 4 iterations. iteration 1653: trace = 2.393039468640968 (8.73295e-09% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039468430554 (8.79275e-09% change) linmin: converged after 15 iterations. iteration 1655: trace = 2.393039468148006 (1.18071e-08% change) linmin: converged after 4 iterations. iteration 1656: trace = 2.393039468004484 (5.9975e-09% change) linmin: converged after 9 iterations. iteration 1657: trace = 2.393039467735419 (1.12436e-08% change) linmin: converged after 10 iterations. iteration 1658: trace = 2.393039467579606 (6.51112e-09% change) large trace change predicted (1.33822e-08%) linmin: converged after 10 iterations. iteration 1659: trace = 2.393039467259216 (1.33884e-08% change) linmin: converged after 4 iterations. iteration 1660: trace = 2.393039466723111 (2.24027e-08% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039466303676 (1.75273e-08% change) large trace change predicted (5.62128e-08%) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039464958745 (5.62018e-08% change) linmin: converged after 5 iterations. iteration 1663: trace = 2.393039464571325 (1.61895e-08% change) large trace change predicted (4.31953e-08%) linmin: converged after 8 iterations. iteration 1664: trace = 2.393039463537659 (4.31947e-08% change) linmin: converged after 5 iterations. iteration 1665: trace = 2.393039462371855 (4.87165e-08% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.39303946193583 (1.82206e-08% change) large trace change predicted (4.27269e-08%) linmin: converged after 11 iterations. iteration 1667: trace = 2.393039460913331 (4.2728e-08% change) linmin: converged after 4 iterations. iteration 1668: trace = 2.39303946070726 (8.61129e-09% change) large trace change predicted (3.3899e-08%) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039459895986 (3.39014e-08% change) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039459494159 (1.67915e-08% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039459126877 (1.53479e-08% change) linmin: converged after 3 iterations. iteration 1672: trace = 2.393039458664493 (1.93221e-08% change) linmin: converged after 12 iterations. iteration 1673: trace = 2.393039458473856 (7.96629e-09% change) large trace change predicted (1.65994e-08%) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039458075997 (1.66257e-08% change) linmin: converged after 18 iterations. iteration 1675: trace = 2.393039457904847 (7.15202e-09% change) linmin: converged after 7 iterations. iteration 1676: trace = 2.393039457600002 (1.27388e-08% change) linmin: converged after 9 iterations. iteration 1677: trace = 2.393039457434273 (6.92547e-09% change) linmin: converged after 3 iterations. iteration 1678: trace = 2.393039457323234 (4.64007e-09% change) linmin: converged after 3 iterations. iteration 1679: trace = 2.393039457118042 (8.57455e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039457014609 (4.32224e-09% change) linmin: converged after 3 iterations. iteration 1681: trace = 2.393039456904316 (4.60889e-09% change) linmin: converged after 7 iterations. iteration 1682: trace = 2.393039456708687 (8.17493e-09% change) linmin: converged after 3 iterations. iteration 1683: trace = 2.393039456565813 (5.97041e-09% change) large trace change predicted (1.5105e-08%) linmin: converged after 6 iterations. iteration 1684: trace = 2.393039456204738 (1.50885e-08% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039456046751 (6.60194e-09% change) large trace change predicted (1.70597e-08%) linmin: converged after 12 iterations. iteration 1686: trace = 2.393039455638738 (1.705e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.393039455243519 (1.65154e-08% change) linmin: converged after 4 iterations. iteration 1688: trace = 2.393039455056417 (7.81859e-09% change) large trace change predicted (1.86223e-08%) linmin: converged after 9 iterations. iteration 1689: trace = 2.393039454611054 (1.86108e-08% change) linmin: converged after 4 iterations. iteration 1690: trace = 2.393039454171322 (1.83754e-08% change) linmin: converged after 9 iterations. iteration 1691: trace = 2.393039453818564 (1.4741e-08% change) large trace change predicted (3.11372e-08%) linmin: converged after 7 iterations. iteration 1692: trace = 2.393039453074008 (3.11134e-08% change) linmin: converged after 5 iterations. iteration 1693: trace = 2.393039452797738 (1.15447e-08% change) large trace change predicted (3.30116e-08%) linmin: converged after 3 iterations. iteration 1694: trace = 2.393039452007406 (3.30263e-08% change) linmin: converged after 6 iterations. iteration 1695: trace = 2.393039451439866 (2.37163e-08% change) linmin: converged after 6 iterations. iteration 1696: trace = 2.393039451134685 (1.27529e-08% change) large trace change predicted (2.85332e-08%) linmin: converged after 16 iterations. iteration 1697: trace = 2.393039450452045 (2.85261e-08% change) linmin: converged after 6 iterations. iteration 1698: trace = 2.393039450265314 (7.80309e-09% change) linmin: converged after 7 iterations. iteration 1699: trace = 2.393039449921884 (1.43512e-08% change) linmin: converged after 4 iterations. iteration 1700: trace = 2.393039449775002 (6.13787e-09% change) linmin: converged after 12 iterations. iteration 1701: trace = 2.393039449638505 (5.7039e-09% change) linmin: converged after 3 iterations. iteration 1702: trace = 2.393039449532193 (4.44258e-09% change) linmin: converged after 4 iterations. iteration 1703: trace = 2.393039449473548 (2.45063e-09% change) large trace change predicted (6.5718e-09%) linmin: converged after 6 iterations. iteration 1704: trace = 2.393039449316916 (6.54534e-09% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039449232301 (3.53584e-09% change) linmin: converged after 3 iterations. iteration 1706: trace = 2.393039449109216 (5.14346e-09% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039448870016 (9.99568e-09% change) linmin: converged after 5 iterations. iteration 1708: trace = 2.393039448784958 (3.55436e-09% change) large trace change predicted (1.22669e-08%) linmin: converged after 4 iterations. iteration 1709: trace = 2.39303944849109 (1.22801e-08% change) linmin: converged after 3 iterations. iteration 1710: trace = 2.393039448213335 (1.16068e-08% change) linmin: converged after 4 iterations. iteration 1711: trace = 2.393039448070876 (5.95305e-09% change) large trace change predicted (1.67228e-08%) linmin: converged after 15 iterations. iteration 1712: trace = 2.393039447670758 (1.67201e-08% change) linmin: converged after 8 iterations. iteration 1713: trace = 2.393039447560109 (4.62378e-09% change) large trace change predicted (1.78453e-08%) linmin: converged after 4 iterations. iteration 1714: trace = 2.39303944713308 (1.78447e-08% change) linmin: converged after 9 iterations. iteration 1715: trace = 2.393039446935062 (8.27475e-09% change) linmin: converged after 4 iterations. iteration 1716: trace = 2.393039446642102 (1.22422e-08% change) linmin: converged after 10 iterations. iteration 1717: trace = 2.393039446359064 (1.18276e-08% change) linmin: converged after 3 iterations. iteration 1718: trace = 2.393039446286803 (3.01963e-09% change) large trace change predicted (7.52314e-09%) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039446107193 (7.50552e-09% change) linmin: converged after 12 iterations. iteration 1720: trace = 2.393039446075387 (1.32909e-09% change) large trace change predicted (4.15695e-09%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039445975782 (4.16227e-09% change) linmin: converged after 3 iterations. iteration 1722: trace = 2.393039445953484 (9.31793e-10% change) large trace change predicted (2.28144e-09%) linmin: converged after 3 iterations. iteration 1723: trace = 2.393039445898906 (2.28072e-09% change) linmin: converged after 4 iterations. iteration 1724: trace = 2.393039445864279 (1.44697e-09% change) linmin: converged after 6 iterations. iteration 1725: trace = 2.393039445815468 (2.03971e-09% change) linmin: converged after 3 iterations. iteration 1726: trace = 2.39303944578284 (1.36344e-09% change) large trace change predicted (5.70781e-09%) linmin: converged after 3 iterations. iteration 1727: trace = 2.393039445646182 (5.71066e-09% change) linmin: converged after 3 iterations. iteration 1728: trace = 2.393039445598301 (2.00086e-09% change) large trace change predicted (6.80709e-09%) linmin: converged after 3 iterations. iteration 1729: trace = 2.393039445435487 (6.80364e-09% change) linmin: converged after 3 iterations. iteration 1730: trace = 2.39303944531831 (4.89657e-09% change) linmin: converged after 5 iterations. iteration 1731: trace = 2.393039445228778 (3.74135e-09% change) large trace change predicted (7.71732e-09%) linmin: converged after 3 iterations. iteration 1732: trace = 2.393039445044142 (7.71556e-09% change) linmin: converged after 3 iterations. iteration 1733: trace = 2.393039444971511 (3.03509e-09% change) linmin: converged after 3 iterations. iteration 1734: trace = 2.393039444840666 (5.46774e-09% change) linmin: converged after 3 iterations. iteration 1735: trace = 2.393039444714778 (5.2606e-09% change) linmin: converged after 3 iterations. iteration 1736: trace = 2.393039444675937 (1.62308e-09% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039444603462 (3.02859e-09% change) linmin: converged after 3 iterations. iteration 1738: trace = 2.393039444523325 (3.34873e-09% change) linmin: converged after 3 iterations. iteration 1739: trace = 2.393039444493621 (1.24128e-09% change) linmin: converged after 6 iterations. iteration 1740: trace = 2.393039444443883 (2.07844e-09% change) linmin: converged after 6 iterations. iteration 1741: trace = 2.393039444382688 (2.55719e-09% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.39303944436344 (8.04339e-10% change) linmin: converged after 3 iterations. iteration 1743: trace = 2.393039444345386 (7.54438e-10% change) linmin: converged after 3 iterations. iteration 1744: trace = 2.393039444310664 (1.45096e-09% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039444292932 (7.41003e-10% change) linmin: converged after 3 iterations. iteration 1746: trace = 2.393039444278023 (6.23014e-10% change) large trace change predicted (1.26916e-09%) linmin: converged after 3 iterations. iteration 1747: trace = 2.39303944424796 (1.25625e-09% change) linmin: converged after 3 iterations. iteration 1748: trace = 2.393039444228026 (8.33011e-10% change) linmin: converged after 5 iterations. iteration 1749: trace = 2.393039444218437 (4.00694e-10% change) resetting CG direction... large trace change predicted (9.52251e-10%) linmin: converged after 4 iterations. iteration 1750: trace = 2.393039444195666 (9.51556e-10% change) linmin: converged after 3 iterations. iteration 1751: trace = 2.393039444177546 (7.57185e-10% change) linmin: converged after 3 iterations. iteration 1752: trace = 2.393039444146321 (1.30484e-09% change) linmin: converged after 5 iterations. iteration 1753: trace = 2.39303944413465 (4.87692e-10% change) large trace change predicted (1.82599e-09%) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039444090912 (1.82775e-09% change) linmin: converged after 3 iterations. iteration 1755: trace = 2.393039444061502 (1.22897e-09% change) linmin: converged after 3 iterations. iteration 1756: trace = 2.393039444020474 (1.71446e-09% change) linmin: converged after 3 iterations. iteration 1757: trace = 2.393039443954934 (2.73878e-09% change) linmin: converged after 12 iterations. iteration 1758: trace = 2.393039443919599 (1.47657e-09% change) large trace change predicted (4.02759e-09%) linmin: converged after 3 iterations. iteration 1759: trace = 2.393039443823342 (4.0224e-09% change) linmin: converged after 10 iterations. iteration 1760: trace = 2.393039443738229 (3.55666e-09% change) linmin: converged after 4 iterations. iteration 1761: trace = 2.393039443622853 (4.8213e-09% change) large trace change predicted (9.66329e-09%) linmin: converged after 9 iterations. iteration 1762: trace = 2.393039443391864 (9.65256e-09% change) linmin: converged after 3 iterations. iteration 1763: trace = 2.393039443336197 (2.32621e-09% change) large trace change predicted (5.4175e-09%) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039443206546 (5.41785e-09% change) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039443122075 (3.52983e-09% change) linmin: converged after 3 iterations. iteration 1766: trace = 2.393039443038401 (3.49657e-09% change) large trace change predicted (7.6054e-09%) linmin: converged after 6 iterations. iteration 1767: trace = 2.393039442856517 (7.60054e-09% change) linmin: converged after 10 iterations. iteration 1768: trace = 2.3930394428069 (2.07338e-09% change) large trace change predicted (7.19913e-09%) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039442634707 (7.19561e-09% change) linmin: converged after 3 iterations. iteration 1770: trace = 2.393039442581494 (2.22366e-09% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039442523689 (2.41552e-09% change) linmin: converged after 3 iterations. iteration 1772: trace = 2.393039442439991 (3.49758e-09% change) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039442413424 (1.11017e-09% change) large trace change predicted (2.75507e-09%) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039442347044 (2.77389e-09% change) linmin: converged after 6 iterations. iteration 1775: trace = 2.393039442328087 (7.92166e-10% change) large trace change predicted (3.22877e-09%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039442250741 (3.23211e-09% change) linmin: converged after 6 iterations. iteration 1777: trace = 2.39303944221371 (1.54746e-09% change) large trace change predicted (3.34274e-09%) linmin: converged after 3 iterations. iteration 1778: trace = 2.393039442133237 (3.36279e-09% change) large trace change predicted (8.09184e-09%) linmin: converged after 17 iterations. iteration 1779: trace = 2.393039441939736 (8.08598e-09% change) linmin: converged after 3 iterations. iteration 1780: trace = 2.393039441833837 (4.42532e-09% change) large trace change predicted (1.34704e-08%) linmin: converged after 10 iterations. iteration 1781: trace = 2.393039441511344 (1.34763e-08% change) linmin: converged after 10 iterations. iteration 1782: trace = 2.393039441304755 (8.63291e-09% change) linmin: converged after 12 iterations. iteration 1783: trace = 2.39303944107243 (9.70839e-09% change) linmin: converged after 6 iterations. iteration 1784: trace = 2.393039440915222 (6.56939e-09% change) linmin: converged after 13 iterations. iteration 1785: trace = 2.393039440818795 (4.02947e-09% change) linmin: converged after 3 iterations. iteration 1786: trace = 2.393039440676874 (5.93056e-09% change) linmin: converged after 9 iterations. iteration 1787: trace = 2.393039440620795 (2.34343e-09% change) large trace change predicted (4.90466e-09%) linmin: converged after 3 iterations. iteration 1788: trace = 2.393039440503506 (4.90125e-09% change) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039440446732 (2.37247e-09% change) linmin: converged after 6 iterations. iteration 1790: trace = 2.393039440361032 (3.5812e-09% change) linmin: converged after 3 iterations. iteration 1791: trace = 2.393039440311737 (2.05996e-09% change) linmin: converged after 4 iterations. iteration 1792: trace = 2.393039440272974 (1.61979e-09% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039440199366 (3.07595e-09% change) linmin: converged after 12 iterations. iteration 1794: trace = 2.393039440165944 (1.3966e-09% change) large trace change predicted (3.70625e-09%) linmin: converged after 5 iterations. iteration 1795: trace = 2.393039440077674 (3.68864e-09% change) linmin: converged after 3 iterations. iteration 1796: trace = 2.393039440030697 (1.96307e-09% change) large trace change predicted (4.79803e-09%) linmin: converged after 10 iterations. iteration 1797: trace = 2.393039439915658 (4.80724e-09% change) linmin: converged after 12 iterations. iteration 1798: trace = 2.393039439814751 (4.21666e-09% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039439692446 (5.11086e-09% change) large trace change predicted (1.0631e-08%) linmin: converged after 3 iterations. iteration 1800: trace = 2.39303943943804 (1.06311e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039439290153 (6.17988e-09% change) large trace change predicted (1.93354e-08%) linmin: converged after 12 iterations. iteration 1802: trace = 2.393039438827166 (1.93472e-08% change) linmin: converged after 4 iterations. iteration 1803: trace = 2.393039438627755 (8.33295e-09% change) linmin: converged after 15 iterations. iteration 1804: trace = 2.393039438344062 (1.18549e-08% change) linmin: converged after 3 iterations. iteration 1805: trace = 2.393039438183445 (6.71183e-09% change) linmin: converged after 3 iterations. iteration 1806: trace = 2.393039438114115 (2.89717e-09% change) large trace change predicted (6.29463e-09%) linmin: converged after 6 iterations. iteration 1807: trace = 2.393039437963845 (6.27944e-09% change) linmin: converged after 5 iterations. iteration 1808: trace = 2.39303943791392 (2.08628e-09% change) linmin: converged after 5 iterations. iteration 1809: trace = 2.393039437874635 (1.64164e-09% change) linmin: converged after 3 iterations. iteration 1810: trace = 2.393039437823133 (2.15214e-09% change) linmin: converged after 9 iterations. iteration 1811: trace = 2.393039437792614 (1.27533e-09% change) large trace change predicted (5.16832e-09%) linmin: converged after 5 iterations. iteration 1812: trace = 2.393039437669096 (5.16156e-09% change) linmin: converged after 6 iterations. iteration 1813: trace = 2.393039437561806 (4.48341e-09% change) linmin: converged after 4 iterations. iteration 1814: trace = 2.393039437470394 (3.81992e-09% change) large trace change predicted (9.6568e-09%) linmin: converged after 3 iterations. iteration 1815: trace = 2.393039437239216 (9.66044e-09% change) linmin: converged after 3 iterations. iteration 1816: trace = 2.393039437195021 (1.84679e-09% change) large trace change predicted (8.05644e-09%) linmin: converged after 6 iterations. iteration 1817: trace = 2.393039437001947 (8.06815e-09% change) linmin: converged after 6 iterations. iteration 1818: trace = 2.393039436913043 (3.71511e-09% change) linmin: converged after 3 iterations. iteration 1819: trace = 2.393039436735796 (7.4068e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1820: trace = 2.393039436615087 (5.04416e-09% change) linmin: converged after 5 iterations. iteration 1821: trace = 2.393039436553057 (2.59212e-09% change) large trace change predicted (8.69087e-09%) linmin: converged after 6 iterations. iteration 1822: trace = 2.393039436344917 (8.69773e-09% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039436284367 (2.53023e-09% change) large trace change predicted (6.18035e-09%) linmin: converged after 3 iterations. iteration 1824: trace = 2.3930394361362 (6.19161e-09% change) linmin: converged after 6 iterations. iteration 1825: trace = 2.393039436018256 (4.92862e-09% change) linmin: converged after 6 iterations. iteration 1826: trace = 2.393039435969046 (2.05636e-09% change) linmin: converged after 3 iterations. iteration 1827: trace = 2.39303943588169 (3.65042e-09% change) linmin: converged after 4 iterations. iteration 1828: trace = 2.393039435842717 (1.62861e-09% change) linmin: converged after 3 iterations. iteration 1829: trace = 2.393039435813915 (1.20359e-09% change) linmin: converged after 5 iterations. iteration 1830: trace = 2.393039435779417 (1.44159e-09% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039435766638 (5.33993e-10% change) large trace change predicted (3.41338e-09%) linmin: converged after 3 iterations. iteration 1832: trace = 2.393039435684921 (3.41477e-09% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039435650287 (1.4473e-09% change) large trace change predicted (4.76432e-09%) linmin: converged after 3 iterations. iteration 1834: trace = 2.393039435536316 (4.76259e-09% change) linmin: converged after 3 iterations. iteration 1835: trace = 2.393039435396384 (5.84746e-09% change) linmin: converged after 4 iterations. iteration 1836: trace = 2.393039435335645 (2.53815e-09% change) large trace change predicted (1.09733e-08%) linmin: converged after 6 iterations. iteration 1837: trace = 2.393039435073163 (1.09686e-08% change) linmin: converged after 9 iterations. iteration 1838: trace = 2.393039434991662 (3.40577e-09% change) linmin: converged after 3 iterations. iteration 1839: trace = 2.39303943487383 (4.92393e-09% change) linmin: converged after 3 iterations. iteration 1840: trace = 2.393039434800345 (3.07079e-09% change) linmin: converged after 6 iterations. iteration 1841: trace = 2.393039434770315 (1.25488e-09% change) linmin: converged after 5 iterations. iteration 1842: trace = 2.393039434732226 (1.59168e-09% change) linmin: converged after 4 iterations. iteration 1843: trace = 2.393039434688152 (1.84176e-09% change) linmin: converged after 4 iterations. iteration 1844: trace = 2.39303943467836 (4.09175e-10% change) large trace change predicted (1.64274e-09%) linmin: converged after 4 iterations. iteration 1845: trace = 2.393039434638748 (1.65531e-09% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039434617966 (8.684e-10% change) linmin: converged after 4 iterations. iteration 1847: trace = 2.393039434606084 (4.96544e-10% change) large trace change predicted (1.08612e-09%) linmin: converged after 5 iterations. iteration 1848: trace = 2.393039434580546 (1.06717e-09% change) linmin: converged after 4 iterations. iteration 1849: trace = 2.393039434567339 (5.51883e-10% change) large trace change predicted (1.3046e-09%) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039434535825 (1.31694e-09% change) linmin: converged after 6 iterations. iteration 1851: trace = 2.393039434518744 (7.1376e-10% change) large trace change predicted (1.71326e-09%) linmin: converged after 3 iterations. iteration 1852: trace = 2.393039434477874 (1.70785e-09% change) linmin: converged after 6 iterations. iteration 1853: trace = 2.39303943445434 (9.83457e-10% change) large trace change predicted (2.34054e-09%) linmin: converged after 3 iterations. iteration 1854: trace = 2.393039434398526 (2.33237e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039434377281 (8.87756e-10% change) large trace change predicted (2.73964e-09%) linmin: converged after 3 iterations. iteration 1856: trace = 2.393039434312235 (2.71816e-09% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039434277281 (1.46063e-09% change) large trace change predicted (3.22141e-09%) linmin: converged after 7 iterations. iteration 1858: trace = 2.393039434199886 (3.23419e-09% change) linmin: converged after 6 iterations. iteration 1859: trace = 2.39303943417769 (9.27524e-10% change) large trace change predicted (3.00258e-09%) linmin: converged after 5 iterations. iteration 1860: trace = 2.393039434105628 (3.01129e-09% change) linmin: converged after 3 iterations. iteration 1861: trace = 2.3930394340861 (8.16049e-10% change) linmin: converged after 3 iterations. iteration 1862: trace = 2.39303943406486 (8.87551e-10% change) linmin: converged after 3 iterations. iteration 1863: trace = 2.393039434048505 (6.83474e-10% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039434038708 (4.09361e-10% change) linmin: converged after 5 iterations. iteration 1865: trace = 2.393039434030361 (3.48807e-10% change) linmin: converged after 5 iterations. iteration 1866: trace = 2.393039434022309 (3.36485e-10% change) linmin: converged after 3 iterations. iteration 1867: trace = 2.393039434012162 (4.2404e-10% change) linmin: converged after 6 iterations. iteration 1868: trace = 2.393039434003842 (3.47675e-10% change) linmin: converged after 3 iterations. iteration 1869: trace = 2.393039433988787 (6.29082e-10% change) linmin: converged after 6 iterations. iteration 1870: trace = 2.393039433978263 (4.39814e-10% change) linmin: converged after 5 iterations. iteration 1871: trace = 2.393039433957409 (8.71406e-10% change) linmin: converged after 4 iterations. iteration 1872: trace = 2.393039433943766 (5.70143e-10% change) linmin: converged after 3 iterations. iteration 1873: trace = 2.393039433923201 (8.59344e-10% change) linmin: converged after 3 iterations. iteration 1874: trace = 2.393039433893358 (1.24707e-09% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039433876588 (7.00788e-10% change) linmin: converged after 4 iterations. iteration 1876: trace = 2.393039433852826 (9.92995e-10% change) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039433838712 (5.89759e-10% change) large trace change predicted (1.2533e-09%) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039433808313 (1.27034e-09% change) linmin: converged after 3 iterations. iteration 1879: trace = 2.393039433794997 (5.56429e-10% change) large trace change predicted (1.19387e-09%) linmin: converged after 5 iterations. iteration 1880: trace = 2.393039433766649 (1.18462e-09% change) linmin: converged after 6 iterations. iteration 1881: trace = 2.393039433752501 (5.91206e-10% change) linmin: converged after 3 iterations. iteration 1882: trace = 2.393039433727414 (1.04833e-09% change) linmin: converged after 3 iterations. iteration 1883: trace = 2.393039433703695 (9.91177e-10% change) linmin: converged after 4 iterations. iteration 1884: trace = 2.39303943369355 (4.2391e-10% change) linmin: converged after 3 iterations. iteration 1885: trace = 2.393039433674987 (7.75705e-10% change) linmin: converged after 4 iterations. iteration 1886: trace = 2.393039433670693 (1.79433e-10% change) linmin: converged after 3 iterations. iteration 1887: trace = 2.393039433664913 (2.41545e-10% change) linmin: converged after 3 iterations. iteration 1888: trace = 2.393039433658601 (2.63758e-10% change) linmin: converged after 3 iterations. iteration 1889: trace = 2.393039433654001 (1.92256e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 12.512332677841187 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.4726064316793 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425743842929 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844417482463 (0.43222% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161848781773 (0.479383% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060275410308 (0.210061% change) linmin: converged after 8 iterations. iteration 6: trace = 2.423173496441477 (0.119061% change) linmin: converged after 6 iterations. iteration 7: trace = 2.421004974464662 (0.0895311% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230588502718 (0.0733182% change) linmin: converged after 5 iterations. iteration 9: trace = 2.418879966551738 (0.0144942% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217811138232 (0.0273782% change) linmin: converged after 4 iterations. iteration 11: trace = 2.41791661414678 (0.0124561% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553417119585 (0.0150222% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324392266428 (0.00947386% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053478147193 (0.0112078% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983339184622 (0.00290188% change) large trace change predicted (0.00610733%) linmin: converged after 3 iterations. iteration 16: trace = 2.41683413845168 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789893810626 (0.0018307% change) large trace change predicted (0.00505464%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666947212843 (0.00508732% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616681223286 (0.00207999% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550540418851 (0.00273695% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470727588368 (0.00330281% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391460051795 (0.00328036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340837484853 (0.00209499% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269502934743 (0.00295222% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222967868819 (0.00192592% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194248941607 (0.00118859% change) large trace change predicted (0.00530475%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065966449136 (0.00530942% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766155136 (0.00191223% change) large trace change predicted (0.00450147%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911185989398 (0.00449428% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826340151925 (0.00351202% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706050016934 (0.00497938% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628014634792 (0.00323039% change) large trace change predicted (0.0107004%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370536076258 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301752322894 (0.00284779% change) large trace change predicted (0.0088786%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087783883891 (0.00885926% change) linmin: converged after 4 iterations. iteration 36: trace = 2.41499630719488 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847790234521 (0.00614997% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719179207967 (0.00532599% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561279642779 (0.00653926% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484109960662 (0.00319606% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383085142223 (0.0041842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348660207591 (0.00142584% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292741164467 (0.00231614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262839432096 (0.00123854% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243275460592 (0.000810353% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221969413599 (0.000882518% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189342424333 (0.00135146% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175447826379 (0.000575541% change) large trace change predicted (0.00151726%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139131820406 (0.00150429% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108614772963 (0.0012641% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084439505118 (0.00100142% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051975715635 (0.00134478% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006541143371 (0.00188211% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987554951889 (0.000786504% change) large trace change predicted (0.00171873%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946350924714 (0.0017069% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918618368818 (0.00114885% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893179810757 (0.00105383% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859240154034 (0.00140602% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820611833855 (0.00160029% change) linmin: converged after 3 iterations. iteration 60: trace = 2.41379371660232 (0.00111422% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747556623282 (0.00191236% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717636611619 (0.00123957% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670772128531 (0.00194161% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608472937484 (0.00258113% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550361068726 (0.0024077% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476868707579 (0.00304504% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393443352889 (0.00345671% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361558952807 (0.00132115% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309206980998 (0.00216928% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292433617291 (0.000695038% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275725259813 (0.000692349% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247286264708 (0.00117845% change) linmin: converged after 5 iterations. iteration 73: trace = 2.413240949546879 (0.000262581% change) large trace change predicted (0.000686852%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224351266146 (0.000687803% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219298346457 (0.000209385% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214471341386 (0.000200024% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206821557941 (0.000316996% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202672014996 (0.000171952% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195507090028 (0.000296906% change) large trace change predicted (0.000675692%) linmin: converged after 3 iterations. iteration 80: trace = 2.413179123118357 (0.000678935% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174486119533 (0.000192153% change) large trace change predicted (0.000670701%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158287901495 (0.000671243% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137365157749 (0.000867031% change) linmin: converged after 4 iterations. iteration 84: trace = 2.41313205125692 (0.000220207% change) large trace change predicted (0.00137282%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098599305338 (0.00138626% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088249700511 (0.000428894% change) linmin: converged after 4 iterations. iteration 87: trace = 2.413069986749186 (0.000756832% change) linmin: converged after 5 iterations. iteration 88: trace = 2.413059110486709 (0.000450724% change) linmin: converged after 4 iterations. iteration 89: trace = 2.413054799908851 (0.000178636% change) large trace change predicted (0.000378474%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045656037611 (0.000378934% change) linmin: converged after 7 iterations. iteration 91: trace = 2.413029361528956 (0.00067527% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026310086575 (0.000126457% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009836157888 (0.000682711% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004932270046 (0.000203227% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000982549347 (0.000163685% change) large trace change predicted (0.000575076%) linmin: converged after 3 iterations. iteration 96: trace = 2.412987084441429 (0.000575969% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981962610885 (0.000212261% change) linmin: converged after 8 iterations. iteration 98: trace = 2.412974933898496 (0.000291288% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971633220663 (0.000136789% change) linmin: converged after 10 iterations. iteration 100: trace = 2.41296969963357 (8.01331e-05% change) large trace change predicted (0.000185934%) linmin: converged after 5 iterations. iteration 101: trace = 2.412965212817154 (0.000185946% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957829001476 (0.000306006% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955621846459 (9.1471e-05% change) large trace change predicted (0.000451406%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944779572966 (0.000449337% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939567470628 (0.000216006% change) large trace change predicted (0.000436625%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929065296473 (0.000435245% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912366097883 (0.000692074% change) linmin: converged after 4 iterations. iteration 108: trace = 2.41288272467351 (0.00122846% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866258143775 (0.000682445% change) large trace change predicted (0.0014041%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832868724427 (0.00138382% change) linmin: converged after 5 iterations. iteration 111: trace = 2.412826949669475 (0.000245316% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818867669138 (0.00033496% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807732728217 (0.000461492% change) linmin: converged after 4 iterations. iteration 114: trace = 2.412803749127395 (0.000165102% change) linmin: converged after 5 iterations. iteration 115: trace = 2.412797318292959 (0.00026653% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412796040493983 (5.29592e-05% change) large trace change predicted (0.000176609%) linmin: converged after 3 iterations. iteration 117: trace = 2.412791778982473 (0.000176621% change) linmin: converged after 6 iterations. iteration 118: trace = 2.412788945390335 (0.00011744% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787800517203 (4.74502e-05% change) large trace change predicted (0.00021539%) linmin: converged after 22 iterations. iteration 120: trace = 2.412782608800236 (0.000215175% change) linmin: converged after 4 iterations. iteration 121: trace = 2.412781603210585 (4.16776e-05% change) large trace change predicted (0.000159619%) linmin: converged after 5 iterations. iteration 122: trace = 2.412777756651581 (0.000159424% change) linmin: converged after 21 iterations. iteration 123: trace = 2.412776280560054 (6.11781e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.412774811197002 (6.08993e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773078731524 (7.18039e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 2.412772023610564 (4.37306e-05% change) large trace change predicted (0.000144159%) linmin: converged after 4 iterations. iteration 127: trace = 2.412768545458258 (0.000144156% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764329648909 (0.000174729% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762690065943 (6.79546e-05% change) large trace change predicted (0.00022691%) linmin: converged after 6 iterations. iteration 130: trace = 2.412757221377979 (0.000226657% change) linmin: converged after 5 iterations. iteration 131: trace = 2.412750327851664 (0.000285712% change) linmin: converged after 4 iterations. iteration 132: trace = 2.412744959840375 (0.000222485% change) large trace change predicted (0.000506633%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732720642922 (0.000507274% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730954631478 (7.31955e-05% change) large trace change predicted (0.000324304%) linmin: converged after 4 iterations. iteration 135: trace = 2.412723121123227 (0.000324674% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721615473608 (6.24046e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719153146647 (0.000102056% change) linmin: converged after 4 iterations. iteration 138: trace = 2.412714752145698 (0.000182409% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714235129618 (2.14288e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713784754152 (1.86668e-05% change) large trace change predicted (6.16167e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.41271229751497 (6.16418e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711741099932 (2.30618e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.412711423071571 (1.31814e-05% change) large trace change predicted (3.65187e-05%) linmin: converged after 5 iterations. iteration 144: trace = 2.412710541789183 (3.65266e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412709985002305 (2.30772e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709329303678 (2.71769e-05% change) large trace change predicted (5.48992e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.412708003504688 (5.49506e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707723343185 (1.16119e-05% change) large trace change predicted (2.45696e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.412707130431694 (2.45745e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706104507434 (4.25217e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.41270578257981 (1.3343e-05% change) large trace change predicted (4.36018e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704729568492 (4.36444e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.412704027168191 (2.91126e-05% change) linmin: converged after 5 iterations. iteration 154: trace = 2.412703564676231 (1.9169e-05% change) large trace change predicted (3.84611e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702635974135 (3.84922e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701345066634 (5.35046e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700860504454 (2.00838e-05% change) large trace change predicted (5.76405e-05%) linmin: converged after 3 iterations. iteration 158: trace = 2.412699467770541 (5.77251e-05% change) linmin: converged after 9 iterations. iteration 159: trace = 2.412698212583795 (5.20242e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697418810282 (3.28998e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.41269628746893 (4.68912e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695386092381 (3.73597e-05% change) linmin: converged after 16 iterations. iteration 163: trace = 2.412694301606301 (4.49492e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693066959875 (5.11729e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692869673331 (8.17703e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692596909532 (1.13054e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.412692065814359 (2.20126e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691967952765 (4.05612e-06% change) large trace change predicted (1.25534e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691664903453 (1.25606e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.41269151882399 (6.05463e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691323497366 (8.0958e-06% change) linmin: converged after 4 iterations. iteration 172: trace = 2.412691061031412 (1.08786e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690852587638 (8.63947e-06% change) large trace change predicted (1.90433e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690393063385 (1.90461e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689480174599 (3.7837e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.412689257332663 (9.23625e-06% change) large trace change predicted (2.93612e-05%) linmin: converged after 4 iterations. iteration 177: trace = 2.412688548625352 (2.93742e-05% change) linmin: converged after 7 iterations. iteration 178: trace = 2.412688113949724 (1.80162e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687759144954 (1.47058e-05% change) large trace change predicted (6.13178e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686278666822 (6.13622e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.412685892468328 (1.6007e-05% change) large trace change predicted (4.40884e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684828285347 (4.41078e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683959661672 (3.60024e-05% change) linmin: converged after 16 iterations. iteration 184: trace = 2.41268362907374 (1.37021e-05% change) large trace change predicted (2.87517e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682934717816 (2.87794e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.412682227654077 (2.93061e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412682000830988 (9.40128e-06% change) large trace change predicted (2.73337e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.412681341333945 (2.73346e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.412681249453636 (3.80822e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681126250548 (5.10648e-06% change) large trace change predicted (1.11581e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.412680857010287 (1.11594e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680817362095 (1.64333e-06% change) large trace change predicted (1.20263e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.412680527223247 (1.20256e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.412680393907443 (5.52563e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680280417886 (4.70388e-06% change) large trace change predicted (1.80685e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.412679844581648 (1.80644e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.412679498525944 (1.43432e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679148816449 (1.44947e-05% change) large trace change predicted (6.21807e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677648108339 (6.22009e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.412677368423382 (1.15923e-05% change) large trace change predicted (5.13172e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676129895467 (5.13342e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.412675255324041 (3.6249e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.412674857623696 (1.64838e-05% change) large trace change predicted (5.07416e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673633269721 (5.07468e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673233810707 (1.65567e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.412672620441537 (2.54228e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.41267212468961 (2.05478e-05% change) linmin: converged after 15 iterations. iteration 208: trace = 2.412671819520183 (1.26486e-05% change) large trace change predicted (3.39637e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.412671000128994 (3.3962e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670635038857 (1.51322e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670523083993 (4.64029e-06% change) large trace change predicted (1.04515e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670271047332 (1.04464e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670053721547 (9.00769e-06% change) linmin: converged after 5 iterations. iteration 214: trace = 2.412669936754242 (4.84804e-06% change) large trace change predicted (1.68391e-05%) linmin: converged after 4 iterations. iteration 215: trace = 2.412669530553186 (1.68362e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.412669438237494 (3.82629e-06% change) large trace change predicted (9.47496e-06%) linmin: converged after 3 iterations. iteration 217: trace = 2.412669209609661 (9.47614e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668914756718 (1.2221e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668820510233 (3.90632e-06% change) large trace change predicted (1.25473e-05%) linmin: converged after 23 iterations. iteration 220: trace = 2.412668517790209 (1.25471e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668212066454 (1.26716e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668105349921 (4.42317e-06% change) large trace change predicted (9.06687e-06%) linmin: converged after 4 iterations. iteration 223: trace = 2.412667886535738 (9.06939e-06% change) linmin: converged after 3 iterations. iteration 224: trace = 2.412667551571672 (1.38836e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.412667418317509 (5.52311e-06% change) large trace change predicted (1.77248e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666990673851 (1.77249e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666776970278 (8.85757e-06% change) linmin: converged after 5 iterations. iteration 228: trace = 2.412666431262663 (1.43289e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.412666125812491 (1.26603e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.412665851676855 (1.13624e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.412665377691057 (1.96457e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.412664779517022 (2.47931e-05% change) linmin: converged after 19 iterations. iteration 233: trace = 2.412664678921302 (4.16949e-06% change) large trace change predicted (8.35371e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664477366697 (8.35403e-06% change) linmin: converged after 17 iterations. iteration 235: trace = 2.412664310952648 (6.89752e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.412664249100853 (2.56363e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664165169105 (3.4788e-06% change) linmin: converged after 13 iterations. iteration 238: trace = 2.412664016321722 (6.16942e-06% change) linmin: converged after 13 iterations. iteration 239: trace = 2.412663996352473 (8.27685e-07% change) large trace change predicted (4.26442e-06%) linmin: converged after 4 iterations. iteration 240: trace = 2.41266389347136 (4.26421e-06% change) linmin: converged after 5 iterations. iteration 241: trace = 2.412663778283752 (4.77429e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.412663722755496 (2.30153e-06% change) large trace change predicted (1.0114e-05%) linmin: converged after 7 iterations. iteration 243: trace = 2.412663478869021 (1.01086e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.41266317212621 (1.27139e-05% change) linmin: converged after 6 iterations. iteration 245: trace = 2.41266297506366 (8.16784e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.41266271685295 (1.07023e-05% change) linmin: converged after 5 iterations. iteration 247: trace = 2.412662461733278 (1.05742e-05% change) linmin: converged after 18 iterations. iteration 248: trace = 2.412662228422914 (9.67025e-06% change) linmin: converged after 4 iterations. iteration 249: trace = 2.412661773182021 (1.88688e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.412661637750159 (5.61338e-06% change) large trace change predicted (2.26682e-05%) linmin: converged after 24 iterations. iteration 251: trace = 2.412661091485077 (2.26416e-05% change) linmin: converged after 7 iterations. iteration 252: trace = 2.412660438716966 (2.70559e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.412660310164648 (5.32824e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.412660085800419 (9.29945e-06% change) linmin: converged after 4 iterations. iteration 255: trace = 2.412659729610447 (1.47634e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.412659683191008 (1.92399e-06% change) large trace change predicted (1.0624e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659426946115 (1.06208e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.412659371642552 (2.29222e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659310609675 (2.52969e-06% change) large trace change predicted (5.13713e-06%) linmin: converged after 5 iterations. iteration 260: trace = 2.412659186680136 (5.13664e-06% change) linmin: converged after 12 iterations. iteration 261: trace = 2.412659125243518 (2.54643e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659033305007 (3.81067e-06% change) large trace change predicted (9.87101e-06%) linmin: converged after 5 iterations. iteration 263: trace = 2.412658795202499 (9.86888e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658738680189 (2.34274e-06% change) large trace change predicted (8.80589e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658526220048 (8.80606e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.412658132254595 (1.63291e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412658017236789 (4.76727e-06% change) large trace change predicted (3.84844e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.412657088640636 (3.84885e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656325874492 (3.16152e-05% change) linmin: converged after 10 iterations. iteration 270: trace = 2.412655894103643 (1.78961e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655342648407 (2.28568e-05% change) linmin: converged after 7 iterations. iteration 272: trace = 2.412654787288747 (2.30186e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654510433383 (1.14751e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654095695024 (1.71901e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.412653995943947 (4.1345e-06% change) large trace change predicted (1.38231e-05%) linmin: converged after 2 iterations. iteration 276: trace = 2.412653662440402 (1.38231e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.412653369848869 (1.21274e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.412653158593952 (8.75612e-06% change) large trace change predicted (1.76163e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652733207408 (1.76315e-05% change) resetting CG direction... linmin: converged after 14 iterations. iteration 280: trace = 2.41265247281537 (1.07928e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382530291 (3.74215e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.412652272545112 (4.55868e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.412652153279442 (4.94334e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.412652069064122 (3.49057e-06% change) large trace change predicted (7.44781e-06%) linmin: converged after 3 iterations. iteration 285: trace = 2.412651889353411 (7.44868e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.412651807950601 (3.374e-06% change) large trace change predicted (8.55983e-06%) linmin: converged after 5 iterations. iteration 287: trace = 2.412651601399093 (8.56118e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.41265134776607 (1.05126e-05% change) linmin: converged after 6 iterations. iteration 289: trace = 2.412651210576856 (5.68624e-06% change) large trace change predicted (2.11423e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650700452094 (2.11437e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.412650186182307 (2.13156e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.412650005642272 (7.48306e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.41264964732795 (1.48515e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649281319745 (1.51704e-05% change) linmin: converged after 23 iterations. iteration 295: trace = 2.412649107305584 (7.21258e-06% change) large trace change predicted (1.4932e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648746990333 (1.49344e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.41264861779442 (5.35494e-06% change) linmin: converged after 7 iterations. iteration 298: trace = 2.4126484945826 (5.10691e-06% change) linmin: converged after 17 iterations. iteration 299: trace = 2.412648328066993 (6.90178e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.412648230735793 (4.03421e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648147144485 (3.46471e-06% change) large trace change predicted (7.7728e-06%) linmin: converged after 3 iterations. iteration 302: trace = 2.412647959596917 (7.77352e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.412647933716113 (1.07271e-06% change) large trace change predicted (6.04568e-06%) linmin: converged after 4 iterations. iteration 304: trace = 2.412647787829529 (6.04674e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647721862858 (2.7342e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.412647698379908 (9.73327e-07% change) large trace change predicted (5.64425e-06%) linmin: converged after 3 iterations. iteration 307: trace = 2.412647562163547 (5.64593e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647475723582 (3.58278e-06% change) linmin: converged after 4 iterations. iteration 309: trace = 2.412647438026662 (1.56247e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.41264738609407 (2.15251e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.412647290849673 (3.94771e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.412647253081221 (1.56544e-06% change) large trace change predicted (7.42294e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647073914257 (7.42616e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646885328721 (7.81654e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.412646663343649 (9.20089e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.412646318151616 (1.43076e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646214127668 (4.31161e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646067344193 (6.08392e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.41264583575738 (9.59887e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.412645804224127 (1.307e-06% change) large trace change predicted (7.61745e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.412645620375904 (7.62019e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.41264552950055 (3.76663e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645495391833 (1.41375e-06% change) large trace change predicted (3.06828e-06%) linmin: converged after 3 iterations. iteration 324: trace = 2.412645421363155 (3.06836e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.412645342340803 (3.27534e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.41264532264753 (8.16252e-07% change) large trace change predicted (4.32694e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645218238689 (4.32757e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.412645185232851 (1.36804e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645152284258 (1.36566e-06% change) linmin: converged after 13 iterations. iteration 330: trace = 2.412645099922987 (2.17028e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.412645076791193 (9.58773e-07% change) large trace change predicted (2.98895e-06%) linmin: converged after 4 iterations. iteration 332: trace = 2.412645004685459 (2.98866e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644884110045 (4.99764e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.412644834105687 (2.0726e-06% change) large trace change predicted (6.6527e-06%) linmin: converged after 3 iterations. iteration 335: trace = 2.412644673589769 (6.65311e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41264452848114 (6.0145e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.41264445678108 (2.97185e-06% change) large trace change predicted (1.39576e-05%) linmin: converged after 3 iterations. iteration 338: trace = 2.4126441200145 (1.39584e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643800907788 (1.32264e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643706491794 (3.91338e-06% change) large trace change predicted (8.6777e-06%) linmin: converged after 3 iterations. iteration 341: trace = 2.412643497094058 (8.67918e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.412643395308863 (4.21882e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643322490218 (3.01821e-06% change) large trace change predicted (6.51432e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.412643165327341 (6.51414e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643147370928 (7.44263e-07% change) large trace change predicted (2.9329e-06%) linmin: converged after 4 iterations. iteration 346: trace = 2.412643076620209 (2.9325e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.412643019204381 (2.37979e-06% change) linmin: converged after 6 iterations. iteration 348: trace = 2.412643001179429 (7.47104e-07% change) large trace change predicted (3.47784e-06%) linmin: converged after 14 iterations. iteration 349: trace = 2.412642917281606 (3.47742e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642860814064 (2.34048e-06% change) linmin: converged after 4 iterations. iteration 351: trace = 2.4126428466326 (5.87798e-07% change) large trace change predicted (1.85754e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642801821691 (1.85734e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.412642759873036 (1.7387e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642745167841 (6.09506e-07% change) large trace change predicted (4.8191e-06%) linmin: converged after 14 iterations. iteration 355: trace = 2.412642628896069 (4.81927e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642590783856 (1.57969e-06% change) large trace change predicted (4.07934e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.412642492332208 (4.08066e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642373403223 (4.92941e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642326373659 (1.9493e-06% change) large trace change predicted (8.97879e-06%) linmin: converged after 4 iterations. iteration 360: trace = 2.412642109757285 (8.97839e-06% change) linmin: converged after 17 iterations. iteration 361: trace = 2.412641927747216 (7.54401e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.412641826412623 (4.20015e-06% change) linmin: converged after 6 iterations. iteration 363: trace = 2.412641665571785 (6.66659e-06% change) linmin: converged after 5 iterations. iteration 364: trace = 2.412641550509427 (4.76914e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.412641493264817 (2.37269e-06% change) large trace change predicted (4.75837e-06%) linmin: converged after 24 iterations. iteration 366: trace = 2.412641378467331 (4.75817e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.412641347494812 (1.28376e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.412641300585301 (1.94432e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.412641258766916 (1.7333e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641211920094 (1.94172e-06% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641198268954 (5.65817e-07% change) large trace change predicted (2.9775e-06%) linmin: converged after 4 iterations. iteration 372: trace = 2.412641126436468 (2.97734e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412641114033097 (5.14099e-07% change) large trace change predicted (2.09934e-06%) linmin: converged after 22 iterations. iteration 374: trace = 2.412641063385723 (2.09925e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.41264102127427 (1.74545e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412640986664866 (1.4345e-06% change) linmin: converged after 14 iterations. iteration 377: trace = 2.412640955207891 (1.30384e-06% change) large trace change predicted (3.37431e-06%) linmin: converged after 3 iterations. iteration 378: trace = 2.412640873816279 (3.37355e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.41264085548483 (7.59808e-07% change) large trace change predicted (3.97488e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.412640759608501 (3.97392e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640671475462 (3.65297e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640608200674 (2.62264e-06% change) large trace change predicted (8.67062e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.41264039919422 (8.66298e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.41264019909772 (8.29367e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640128006184 (2.94663e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001639197 (5.23771e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412639924331287 (3.20429e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.412639886110255 (1.5842e-06% change) large trace change predicted (3.84595e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639793340888 (3.84514e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.412639747643779 (1.89407e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639707895823 (1.64749e-06% change) linmin: converged after 5 iterations. iteration 392: trace = 2.4126396322545 (3.13521e-06% change) linmin: converged after 11 iterations. iteration 393: trace = 2.412639615539385 (6.92814e-07% change) large trace change predicted (1.57425e-06%) linmin: converged after 5 iterations. iteration 394: trace = 2.412639577561713 (1.57411e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520283287 (2.3741e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.412639510882351 (3.89654e-07% change) large trace change predicted (3.27357e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.412639431909297 (3.27331e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.412639406681856 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.412639373387683 (1.37999e-06% change) large trace change predicted (2.78365e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.41263930622236 (2.78389e-06% change) linmin: converged after 3 iterations. iteration 401: trace = 2.41263926222349 (1.82368e-06% change) linmin: converged after 8 iterations. iteration 402: trace = 2.412639206480723 (2.31045e-06% change) large trace change predicted (5.86802e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639064897671 (5.86839e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.412639033928283 (1.28363e-06% change) large trace change predicted (1.07094e-05%) linmin: converged after 3 iterations. iteration 405: trace = 2.41263877556923 (1.07086e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.412638628753053 (6.08529e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638525914129 (4.26251e-06% change) large trace change predicted (1.13211e-05%) linmin: converged after 4 iterations. iteration 408: trace = 2.412638252752962 (1.13221e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638016072187 (9.81004e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637947765857 (2.83119e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637835896647 (4.6368e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.412637777611123 (2.41584e-06% change) linmin: converged after 5 iterations. iteration 413: trace = 2.412637743025151 (1.43353e-06% change) large trace change predicted (2.96883e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.412637671396636 (2.96889e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.412637652685788 (7.75535e-07% change) large trace change predicted (1.67606e-06%) linmin: converged after 2 iterations. iteration 416: trace = 2.412637612247869 (1.67609e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.412637561461501 (2.10501e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.412637538178108 (9.6506e-07% change) large trace change predicted (2.09449e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.412637487645316 (2.0945e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.412637441782021 (1.90096e-06% change) linmin: converged after 19 iterations. iteration 421: trace = 2.41263742207711 (8.16737e-07% change) large trace change predicted (1.83148e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.412637377890678 (1.83146e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.412637336676159 (1.70828e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.4126373204275 (6.73481e-07% change) large trace change predicted (2.60235e-06%) linmin: converged after 2 iterations. iteration 425: trace = 2.412637257641774 (2.60237e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.412637215579251 (1.74343e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.412637178234246 (1.54789e-06% change) large trace change predicted (3.8197e-06%) linmin: converged after 4 iterations. iteration 428: trace = 2.412637086076163 (3.81981e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.412637012246496 (3.06012e-06% change) large trace change predicted (6.57945e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.41263685350838 (6.57944e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636622479167 (9.5758e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.412636555197012 (2.78874e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.412636466973223 (3.65674e-06% change) large trace change predicted (7.39679e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.412636288454161 (7.39934e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.41263626488539 (9.76889e-07% change) large trace change predicted (3.91073e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.4126361705212 (3.91125e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636134789171 (1.48104e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.412636110007766 (1.02715e-06% change) linmin: converged after 9 iterations. iteration 439: trace = 2.412636071751146 (1.58568e-06% change) linmin: converged after 31 iterations. iteration 440: trace = 2.412636039109053 (1.35296e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.412636027007419 (5.01594e-07% change) large trace change predicted (1.92849e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.412635980474882 (1.9287e-06% change) linmin: converged after 18 iterations. iteration 443: trace = 2.412635969967932 (4.35497e-07% change) linmin: converged after 22 iterations. iteration 444: trace = 2.412635953132072 (6.9782e-07% change) large trace change predicted (1.71894e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.412635911653299 (1.71923e-06% change) linmin: converged after 6 iterations. iteration 446: trace = 2.412635887970593 (9.81611e-07% change) linmin: converged after 3 iterations. iteration 447: trace = 2.412635853330581 (1.43577e-06% change) linmin: converged after 28 iterations. iteration 448: trace = 2.412635819218591 (1.41389e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.41263579128726 (1.15771e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.412635767594516 (9.82027e-07% change) large trace change predicted (2.44905e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.412635708495891 (2.44955e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.412635681818879 (1.10572e-06% change) large trace change predicted (2.96295e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635610308005 (2.96401e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635491501598 (4.92434e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.412635469435086 (9.14623e-07% change) large trace change predicted (5.20183e-06%) linmin: converged after 3 iterations. iteration 456: trace = 2.412635343835833 (5.20589e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635286484016 (2.37714e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635269603972 (6.99652e-07% change) large trace change predicted (3.02647e-06%) linmin: converged after 5 iterations. iteration 459: trace = 2.412635196560519 (3.02754e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635172238826 (1.0081e-06% change) linmin: converged after 8 iterations. iteration 461: trace = 2.412635154385368 (7.39998e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.412635131292329 (9.57171e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635108744785 (9.34561e-07% change) linmin: converged after 16 iterations. iteration 464: trace = 2.412635101743762 (2.90182e-07% change) large trace change predicted (1.16654e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.412635073596187 (1.16667e-06% change) linmin: converged after 4 iterations. iteration 466: trace = 2.412635058993712 (6.0525e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.412635037158811 (9.05023e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.412635024141069 (5.39565e-07% change) linmin: converged after 30 iterations. iteration 469: trace = 2.412635008142534 (6.63115e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634984460535 (9.81582e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634956935237 (1.14088e-06% change) linmin: converged after 10 iterations. iteration 472: trace = 2.412634944192459 (5.28169e-07% change) large trace change predicted (1.28668e-06%) linmin: converged after 3 iterations. iteration 473: trace = 2.412634913153267 (1.28653e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.412634869708619 (1.80071e-06% change) linmin: converged after 21 iterations. iteration 475: trace = 2.412634848068069 (8.96967e-07% change) large trace change predicted (3.46409e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.412634764505052 (3.46356e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.41263471036239 (2.24413e-06% change) linmin: converged after 10 iterations. iteration 478: trace = 2.412634635393895 (3.10733e-06% change) linmin: converged after 7 iterations. iteration 479: trace = 2.412634534860379 (4.16696e-06% change) linmin: converged after 7 iterations. iteration 480: trace = 2.412634518482655 (6.78832e-07% change) large trace change predicted (1.83934e-06%) linmin: converged after 3 iterations. iteration 481: trace = 2.412634474106985 (1.8393e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.412634420821758 (2.20859e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.412634409981919 (4.49295e-07% change) large trace change predicted (1.56518e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.412634372224826 (1.56497e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.412634355634417 (6.87647e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.41263434750079 (3.37126e-07% change) linmin: converged after 22 iterations. iteration 487: trace = 2.412634334340625 (5.45469e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.412634316078156 (7.56951e-07% change) linmin: converged after 2 iterations. iteration 489: trace = 2.412634307525388 (3.54499e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634299596417 (3.28644e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.412634285055379 (6.02704e-07% change) linmin: converged after 2 iterations. iteration 492: trace = 2.412634272558073 (5.17994e-07% change) linmin: converged after 7 iterations. iteration 493: trace = 2.412634264646269 (3.27932e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634250370039 (5.91728e-07% change) large trace change predicted (1.31076e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.412634218743278 (1.31088e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.412634203988838 (6.11549e-07% change) large trace change predicted (1.8689e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.412634158897655 (1.86896e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.412634138054461 (8.63919e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634110026821 (1.1617e-06% change) large trace change predicted (3.199e-06%) linmin: converged after 25 iterations. iteration 500: trace = 2.412634032844641 (3.19908e-06% change) linmin: converged after 7 iterations. iteration 501: trace = 2.412634006520998 (1.09107e-06% change) large trace change predicted (2.95013e-06%) linmin: converged after 3 iterations. iteration 502: trace = 2.412633935348479 (2.94999e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633879619551 (2.30988e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.412633860587332 (7.88856e-07% change) linmin: converged after 5 iterations. iteration 505: trace = 2.412633825955091 (1.43545e-06% change) linmin: converged after 4 iterations. iteration 506: trace = 2.41263379510816 (1.27856e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.412633788364843 (2.795e-07% change) large trace change predicted (1.04193e-06%) linmin: converged after 3 iterations. iteration 508: trace = 2.412633763225779 (1.04198e-06% change) linmin: converged after 11 iterations. iteration 509: trace = 2.412633748457454 (6.12125e-07% change) linmin: converged after 7 iterations. iteration 510: trace = 2.412633739660458 (3.64622e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.412633727964045 (4.84799e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.412633706215134 (9.01459e-07% change) linmin: converged after 36 iterations. iteration 513: trace = 2.412633701674881 (1.88187e-07% change) large trace change predicted (7.90887e-07%) linmin: converged after 3 iterations. iteration 514: trace = 2.4126336825949 (7.90836e-07% change) linmin: converged after 26 iterations. iteration 515: trace = 2.412633671110867 (4.75996e-07% change) linmin: converged after 3 iterations. iteration 516: trace = 2.412633664300462 (2.82281e-07% change) large trace change predicted (8.04113e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633644902835 (8.04002e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.41263361871153 (1.08559e-06% change) linmin: converged after 18 iterations. iteration 519: trace = 2.412633612469993 (2.58702e-07% change) large trace change predicted (1.85648e-06%) linmin: converged after 16 iterations. iteration 520: trace = 2.412633567691794 (1.85599e-06% change) linmin: converged after 18 iterations. iteration 521: trace = 2.412633547023186 (8.56682e-07% change) linmin: converged after 30 iterations. iteration 522: trace = 2.41263352762141 (8.04174e-07% change) large trace change predicted (3.66672e-06%) linmin: converged after 4 iterations. iteration 523: trace = 2.41263343922431 (3.66393e-06% change) linmin: converged after 18 iterations. iteration 524: trace = 2.412633425038576 (5.87977e-07% change) large trace change predicted (3.21106e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347607506 (3.2094e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633293989531 (2.22238e-06% change) linmin: converged after 17 iterations. iteration 527: trace = 2.412633282814469 (4.63189e-07% change) large trace change predicted (1.38646e-06%) linmin: converged after 3 iterations. iteration 528: trace = 2.412633249369911 (1.38623e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.412633226182503 (9.61083e-07% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633217772954 (3.48563e-07% change) large trace change predicted (9.1847e-07%) linmin: converged after 3 iterations. iteration 531: trace = 2.412633195615594 (9.18389e-07% change) linmin: converged after 5 iterations. iteration 532: trace = 2.412633181151997 (5.99494e-07% change) linmin: converged after 3 iterations. iteration 533: trace = 2.412633163842421 (7.17456e-07% change) linmin: converged after 4 iterations. iteration 534: trace = 2.412633149836604 (5.8052e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.412633137535378 (5.09867e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.412633126023987 (4.7713e-07% change) large trace change predicted (1.09721e-06%) linmin: converged after 24 iterations. iteration 537: trace = 2.412633099552856 (1.09719e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.412633094260564 (2.19357e-07% change) large trace change predicted (8.15543e-07%) linmin: converged after 25 iterations. iteration 539: trace = 2.412633074585623 (8.15497e-07% change) linmin: converged after 17 iterations. iteration 540: trace = 2.412633055894965 (7.747e-07% change) linmin: converged after 14 iterations. iteration 541: trace = 2.412633047168399 (3.61703e-07% change) large trace change predicted (1.03022e-06%) linmin: converged after 6 iterations. iteration 542: trace = 2.412633022313367 (1.0302e-06% change) linmin: converged after 2 iterations. iteration 543: trace = 2.412632985204466 (1.53811e-06% change) linmin: converged after 5 iterations. iteration 544: trace = 2.412632972386088 (5.31302e-07% change) large trace change predicted (3.16438e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.412632896032461 (3.16474e-06% change) linmin: converged after 5 iterations. iteration 546: trace = 2.412632864620243 (1.30199e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632827819871 (1.52532e-06% change) large trace change predicted (5.18407e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.412632702723378 (5.18506e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.412632661512463 (1.70813e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.412632606275865 (2.28947e-06% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632569454538 (1.52619e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559393794 (4.17003e-07% change) large trace change predicted (9.9684e-07%) linmin: converged after 3 iterations. iteration 553: trace = 2.41263253534433 (9.96814e-07% change) linmin: converged after 8 iterations. iteration 554: trace = 2.412632516134743 (7.96209e-07% change) linmin: converged after 5 iterations. iteration 555: trace = 2.412632508945961 (2.97964e-07% change) linmin: converged after 17 iterations. iteration 556: trace = 2.412632496437547 (5.18455e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.412632479828672 (6.88413e-07% change) linmin: converged after 5 iterations. iteration 558: trace = 2.412632470882901 (3.70789e-07% change) large trace change predicted (8.7377e-07%) linmin: converged after 3 iterations. iteration 559: trace = 2.412632449802999 (8.7373e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.412632430509535 (7.99685e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.412632425070163 (2.25454e-07% change) large trace change predicted (7.81561e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.412632406214601 (7.81535e-07% change) linmin: converged after 4 iterations. iteration 563: trace = 2.412632395050036 (4.62755e-07% change) linmin: converged after 6 iterations. iteration 564: trace = 2.412632387292498 (3.21538e-07% change) large trace change predicted (7.00258e-07%) linmin: converged after 6 iterations. iteration 565: trace = 2.412632370398085 (7.00248e-07% change) linmin: converged after 23 iterations. iteration 566: trace = 2.412632355180013 (6.30766e-07% change) linmin: converged after 6 iterations. iteration 567: trace = 2.41263234258419 (5.22078e-07% change) large trace change predicted (1.44304e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.412632307769536 (1.44302e-06% change) linmin: converged after 28 iterations. iteration 569: trace = 2.412632297714972 (4.16747e-07% change) large trace change predicted (2.7581e-06%) linmin: converged after 6 iterations. iteration 570: trace = 2.412632231175007 (2.75798e-06% change) linmin: converged after 11 iterations. iteration 571: trace = 2.412632161979124 (2.86807e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632133637415 (1.17472e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.412632096635164 (1.53369e-06% change) linmin: converged after 27 iterations. iteration 574: trace = 2.412632043412803 (2.20599e-06% change) linmin: converged after 2 iterations. iteration 575: trace = 2.412632027974648 (6.39888e-07% change) linmin: converged after 4 iterations. iteration 576: trace = 2.412631999289264 (1.18897e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.41263199293719 (2.63284e-07% change) large trace change predicted (6.56123e-07%) linmin: converged after 14 iterations. iteration 578: trace = 2.412631977106666 (6.56152e-07% change) linmin: converged after 3 iterations. iteration 579: trace = 2.412631964825822 (5.09023e-07% change) linmin: converged after 12 iterations. iteration 580: trace = 2.412631950558348 (5.91366e-07% change) linmin: converged after 3 iterations. iteration 581: trace = 2.412631948001017 (1.05998e-07% change) large trace change predicted (6.36046e-07%) linmin: converged after 13 iterations. iteration 582: trace = 2.412631932654924 (6.36073e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.412631929921282 (1.13305e-07% change) large trace change predicted (2.48552e-07%) linmin: converged after 5 iterations. iteration 584: trace = 2.412631923924131 (2.48573e-07% change) large trace change predicted (6.35569e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.412631908588614 (6.35634e-07% change) linmin: converged after 23 iterations. iteration 586: trace = 2.412631906019616 (1.06481e-07% change) large trace change predicted (7.43488e-07%) linmin: converged after 4 iterations. iteration 587: trace = 2.412631888077842 (7.4366e-07% change) linmin: converged after 30 iterations. iteration 588: trace = 2.412631878688956 (3.89155e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631872146539 (2.71173e-07% change) large trace change predicted (5.9415e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631857810525 (5.94206e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.412631832086421 (1.06623e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631818296104 (5.71588e-07% change) linmin: converged after 6 iterations. iteration 593: trace = 2.412631797655271 (8.55532e-07% change) large trace change predicted (1.7394e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.412631755675351 (1.74001e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263174662151 (3.75268e-07% change) large trace change predicted (1.16874e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631718420116 (1.16891e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.412631683794476 (1.43518e-06% change) linmin: converged after 2 iterations. iteration 598: trace = 2.412631678633707 (2.13906e-07% change) large trace change predicted (1.15281e-06%) linmin: converged after 4 iterations. iteration 599: trace = 2.412631650812322 (1.15316e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631647766944 (1.26226e-07% change) large trace change predicted (5.54604e-07%) linmin: converged after 4 iterations. iteration 601: trace = 2.412631634385495 (5.54641e-07% change) linmin: converged after 4 iterations. iteration 602: trace = 2.412631626641236 (3.20988e-07% change) linmin: converged after 9 iterations. iteration 603: trace = 2.412631622527124 (1.70524e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.412631616376268 (2.54944e-07% change) linmin: converged after 5 iterations. iteration 605: trace = 2.412631607292374 (3.76514e-07% change) linmin: converged after 3 iterations. iteration 606: trace = 2.412631605311292 (8.21129e-08% change) large trace change predicted (4.63878e-07%) linmin: converged after 4 iterations. iteration 607: trace = 2.412631594119526 (4.63882e-07% change) linmin: converged after 21 iterations. iteration 608: trace = 2.412631589506675 (1.91196e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.412631584035406 (2.26776e-07% change) linmin: converged after 20 iterations. iteration 610: trace = 2.412631576344531 (3.18775e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631564470813 (4.92148e-07% change) linmin: converged after 7 iterations. iteration 612: trace = 2.412631561105966 (1.39468e-07% change) large trace change predicted (5.91241e-07%) linmin: converged after 4 iterations. iteration 613: trace = 2.412631546842259 (5.9121e-07% change) linmin: converged after 23 iterations. iteration 614: trace = 2.412631537900961 (3.70604e-07% change) linmin: converged after 11 iterations. iteration 615: trace = 2.412631524948237 (5.36871e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631500920552 (9.95912e-07% change) linmin: converged after 4 iterations. iteration 617: trace = 2.412631487772047 (5.44986e-07% change) large trace change predicted (1.27559e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.412631456995054 (1.27566e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631426358054 (1.26986e-06% change) linmin: converged after 7 iterations. iteration 620: trace = 2.412631419613459 (2.79553e-07% change) linmin: converged after 2 iterations. iteration 621: trace = 2.412631408731586 (4.51038e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.412631388669741 (8.31534e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.412631386320154 (9.73869e-08% change) large trace change predicted (6.43728e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.41263137078966 (6.43716e-07% change) linmin: converged after 20 iterations. iteration 625: trace = 2.412631367461358 (1.37953e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.412631364341196 (1.29326e-07% change) large trace change predicted (2.90043e-07%) linmin: converged after 3 iterations. iteration 627: trace = 2.412631357343453 (2.90046e-07% change) linmin: converged after 12 iterations. iteration 628: trace = 2.4126313523449 (2.07183e-07% change) linmin: converged after 3 iterations. iteration 629: trace = 2.412631348268566 (1.68958e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.412631344431736 (1.59031e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.41263134002685 (1.82576e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.412631335271176 (1.97116e-07% change) linmin: converged after 21 iterations. iteration 633: trace = 2.412631331331592 (1.6329e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631327488496 (1.59291e-07% change) large trace change predicted (6.02673e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631312948187 (6.02674e-07% change) linmin: converged after 3 iterations. iteration 636: trace = 2.412631310895454 (8.50828e-08% change) large trace change predicted (6.68107e-07%) linmin: converged after 37 iterations. iteration 637: trace = 2.412631294775867 (6.68133e-07% change) linmin: converged after 21 iterations. iteration 638: trace = 2.412631282575826 (5.05674e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631277626279 (2.05151e-07% change) large trace change predicted (9.74559e-07%) linmin: converged after 2 iterations. iteration 640: trace = 2.41263125411361 (9.74565e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631232998343 (8.75197e-07% change) linmin: converged after 4 iterations. iteration 642: trace = 2.412631220139265 (5.3299e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.412631199911996 (8.3839e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631191636586 (3.43004e-07% change) linmin: converged after 3 iterations. iteration 645: trace = 2.412631183279183 (3.46402e-07% change) linmin: converged after 4 iterations. iteration 646: trace = 2.412631171487007 (4.88768e-07% change) linmin: converged after 27 iterations. iteration 647: trace = 2.412631168954319 (1.04976e-07% change) large trace change predicted (3.63316e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.412631160188647 (3.63324e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631155897688 (1.77854e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.41263115193879 (1.6409e-07% change) linmin: converged after 3 iterations. iteration 651: trace = 2.412631147490684 (1.84367e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631140568475 (2.86915e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.412631138151422 (1.00183e-07% change) large trace change predicted (2.68793e-07%) linmin: converged after 14 iterations. iteration 654: trace = 2.412631131666535 (2.68789e-07% change) linmin: converged after 3 iterations. iteration 655: trace = 2.412631126515688 (2.13495e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.412631124514832 (8.29326e-08% change) large trace change predicted (2.48912e-07%) linmin: converged after 15 iterations. iteration 657: trace = 2.412631118509633 (2.48907e-07% change) linmin: converged after 6 iterations. iteration 658: trace = 2.412631107672285 (4.49192e-07% change) linmin: converged after 29 iterations. iteration 659: trace = 2.412631105516212 (8.93661e-08% change) large trace change predicted (6.99896e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631088633407 (6.99767e-07% change) linmin: converged after 9 iterations. iteration 661: trace = 2.412631079209359 (3.90613e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.412631073188543 (2.49554e-07% change) large trace change predicted (1.23242e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631043467748 (1.23188e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.412631033031287 (4.32576e-07% change) large trace change predicted (8.95433e-07%) linmin: converged after 3 iterations. iteration 665: trace = 2.41263101143478 (8.95143e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.412630991360767 (8.32038e-07% change) linmin: converged after 34 iterations. iteration 667: trace = 2.412630986898685 (1.84947e-07% change) large trace change predicted (4.22379e-07%) linmin: converged after 20 iterations. iteration 668: trace = 2.412630976708886 (4.22352e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630967660475 (3.75043e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630964884708 (1.15051e-07% change) large trace change predicted (3.97667e-07%) linmin: converged after 8 iterations. iteration 671: trace = 2.412630955291559 (3.97622e-07% change) linmin: converged after 17 iterations. iteration 672: trace = 2.412630947961292 (3.03829e-07% change) linmin: converged after 21 iterations. iteration 673: trace = 2.412630943686239 (1.77195e-07% change) linmin: converged after 26 iterations. iteration 674: trace = 2.412630938138281 (2.29955e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.41263093180878 (2.62349e-07% change) linmin: converged after 3 iterations. iteration 676: trace = 2.412630930657883 (4.7703e-08% change) large trace change predicted (3.67868e-07%) linmin: converged after 3 iterations. iteration 677: trace = 2.412630921782811 (3.67859e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630917325379 (1.84754e-07% change) linmin: converged after 6 iterations. iteration 679: trace = 2.412630912868707 (1.84722e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.412630904878743 (3.31172e-07% change) linmin: converged after 10 iterations. iteration 681: trace = 2.412630901173149 (1.53591e-07% change) linmin: converged after 20 iterations. iteration 682: trace = 2.412630895258257 (2.45164e-07% change) large trace change predicted (6.06104e-07%) linmin: converged after 2 iterations. iteration 683: trace = 2.412630880635001 (6.06112e-07% change) linmin: converged after 3 iterations. iteration 684: trace = 2.412630877671996 (1.22812e-07% change) large trace change predicted (1.2113e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.41263084844553 (1.21139e-06% change) linmin: converged after 21 iterations. iteration 686: trace = 2.412630833135096 (6.34595e-07% change) linmin: converged after 2 iterations. iteration 687: trace = 2.41263082320165 (4.11727e-07% change) large trace change predicted (1.5899e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.41263078483906 (1.59007e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.412630774384965 (4.33307e-07% change) linmin: converged after 23 iterations. iteration 690: trace = 2.412630753695187 (8.57561e-07% change) linmin: converged after 3 iterations. iteration 691: trace = 2.412630743157435 (4.36774e-07% change) linmin: converged after 2 iterations. iteration 692: trace = 2.412630735803318 (3.04817e-07% change) linmin: converged after 2 iterations. iteration 693: trace = 2.41263073181322 (1.65384e-07% change) large trace change predicted (3.75496e-07%) linmin: converged after 12 iterations. iteration 694: trace = 2.412630722753758 (3.75501e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630720241677 (1.04122e-07% change) linmin: converged after 9 iterations. iteration 696: trace = 2.412630715328446 (2.03646e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630708769601 (2.71855e-07% change) linmin: converged after 2 iterations. iteration 698: trace = 2.412630706261897 (1.03941e-07% change) linmin: converged after 30 iterations. iteration 699: trace = 2.412630702052699 (1.74465e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630697984868 (1.68606e-07% change) linmin: converged after 2 iterations. iteration 701: trace = 2.412630695621315 (9.79658e-08% change) large trace change predicted (2.55182e-07%) linmin: converged after 19 iterations. iteration 702: trace = 2.412630689464828 (2.55177e-07% change) linmin: converged after 2 iterations. iteration 703: trace = 2.412630686994338 (1.02398e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.412630682256786 (1.96365e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630674275217 (3.30824e-07% change) linmin: converged after 7 iterations. iteration 706: trace = 2.412630671872351 (9.95953e-08% change) large trace change predicted (3.26983e-07%) linmin: converged after 12 iterations. iteration 707: trace = 2.412630663983398 (3.26986e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.4126306549498 (3.74429e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.412630651129749 (1.58336e-07% change) large trace change predicted (9.28137e-07%) linmin: converged after 4 iterations. iteration 710: trace = 2.412630628738105 (9.28101e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630612230513 (6.84215e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.412630593166302 (7.90184e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.412630580745255 (5.14834e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.412630567807815 (5.36238e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.412630557173796 (4.40764e-07% change) linmin: converged after 23 iterations. iteration 716: trace = 2.412630547752579 (3.90496e-07% change) linmin: converged after 3 iterations. iteration 717: trace = 2.412630544966766 (1.15468e-07% change) linmin: converged after 4 iterations. iteration 718: trace = 2.412630540674763 (1.77897e-07% change) linmin: converged after 3 iterations. iteration 719: trace = 2.412630535659631 (2.0787e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630533018452 (1.09473e-07% change) linmin: converged after 24 iterations. iteration 721: trace = 2.412630529554123 (1.43591e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.412630524119566 (2.25254e-07% change) linmin: converged after 39 iterations. iteration 723: trace = 2.412630523252263 (3.59484e-08% change) large trace change predicted (1.26153e-07%) linmin: converged after 13 iterations. iteration 724: trace = 2.412630520208611 (1.26155e-07% change) linmin: converged after 22 iterations. iteration 725: trace = 2.412630515590306 (1.91422e-07% change) linmin: converged after 4 iterations. iteration 726: trace = 2.41263051451737 (4.44716e-08% change) large trace change predicted (2.54155e-07%) linmin: converged after 18 iterations. iteration 727: trace = 2.412630508384789 (2.54187e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.41263050367689 (1.95135e-07% change) linmin: converged after 3 iterations. iteration 729: trace = 2.412630501519367 (8.94262e-08% change) large trace change predicted (1.91344e-07%) linmin: converged after 3 iterations. iteration 730: trace = 2.412630496902832 (1.91349e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.412630488937158 (3.30166e-07% change) linmin: converged after 2 iterations. iteration 732: trace = 2.41263048677312 (8.96962e-08% change) large trace change predicted (4.38042e-07%) linmin: converged after 28 iterations. iteration 733: trace = 2.412630476203662 (4.38089e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630464126485 (5.00581e-07% change) linmin: converged after 19 iterations. iteration 735: trace = 2.412630457786577 (2.6278e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.412630448537708 (3.83352e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.41263043528228 (5.49418e-07% change) linmin: converged after 3 iterations. iteration 738: trace = 2.412630432378604 (1.20353e-07% change) large trace change predicted (4.25244e-07%) linmin: converged after 4 iterations. iteration 739: trace = 2.412630422117292 (4.25316e-07% change) linmin: converged after 31 iterations. iteration 740: trace = 2.412630421162608 (3.95702e-08% change) large trace change predicted (2.18836e-07%) linmin: converged after 19 iterations. iteration 741: trace = 2.412630415882541 (2.18851e-07% change) linmin: converged after 3 iterations. iteration 742: trace = 2.412630413598977 (9.46504e-08% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630412505465 (4.53245e-08% change) large trace change predicted (1.26626e-07%) linmin: converged after 21 iterations. iteration 744: trace = 2.412630409450342 (1.2663e-07% change) linmin: converged after 7 iterations. iteration 745: trace = 2.412630406140488 (1.37189e-07% change) linmin: converged after 6 iterations. iteration 746: trace = 2.412630405455217 (2.84035e-08% change) large trace change predicted (1.57526e-07%) linmin: converged after 11 iterations. iteration 747: trace = 2.412630401654624 (1.57529e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630400040995 (6.68826e-08% change) linmin: converged after 3 iterations. iteration 749: trace = 2.412630398875223 (4.83195e-08% change) large trace change predicted (1.44433e-07%) linmin: converged after 23 iterations. iteration 750: trace = 2.412630395390554 (1.44434e-07% change) linmin: converged after 4 iterations. iteration 751: trace = 2.412630391577801 (1.58033e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.412630390239896 (5.54542e-08% change) large trace change predicted (1.41042e-07%) linmin: converged after 18 iterations. iteration 753: trace = 2.412630386837133 (1.4104e-07% change) linmin: converged after 7 iterations. iteration 754: trace = 2.412630380998193 (2.42016e-07% change) linmin: converged after 32 iterations. iteration 755: trace = 2.412630378758817 (9.28189e-08% change) large trace change predicted (3.85767e-07%) linmin: converged after 3 iterations. iteration 756: trace = 2.412630369452035 (3.85753e-07% change) linmin: converged after 16 iterations. iteration 757: trace = 2.412630361949772 (3.10958e-07% change) linmin: converged after 2 iterations. iteration 758: trace = 2.412630353931812 (3.32333e-07% change) linmin: converged after 9 iterations. iteration 759: trace = 2.412630343761267 (4.21554e-07% change) linmin: converged after 13 iterations. iteration 760: trace = 2.412630341641721 (8.78521e-08% change) large trace change predicted (2.09499e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630336587362 (2.09496e-07% change) linmin: converged after 9 iterations. iteration 762: trace = 2.412630330239075 (2.63127e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.41263032943413 (3.33638e-08% change) large trace change predicted (2.18555e-07%) linmin: converged after 8 iterations. iteration 764: trace = 2.412630324161313 (2.18551e-07% change) linmin: converged after 12 iterations. iteration 765: trace = 2.412630322968184 (4.94534e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.412630320703994 (9.38474e-08% change) linmin: converged after 8 iterations. iteration 767: trace = 2.412630319365513 (5.54781e-08% change) linmin: converged after 3 iterations. iteration 768: trace = 2.412630317527879 (7.61672e-08% change) linmin: converged after 9 iterations. iteration 769: trace = 2.412630315728442 (7.45841e-08% change) resetting CG direction... linmin: converged after 34 iterations. iteration 770: trace = 2.412630314002941 (7.15195e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630312334698 (6.91462e-08% change) linmin: converged after 4 iterations. iteration 772: trace = 2.412630311072657 (5.23098e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.412630310201734 (3.60985e-08% change) large trace change predicted (1.00858e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.412630307768393 (1.00858e-07% change) linmin: converged after 3 iterations. iteration 775: trace = 2.412630303398672 (1.81119e-07% change) linmin: converged after 7 iterations. iteration 776: trace = 2.412630302344466 (4.36953e-08% change) large trace change predicted (1.43487e-07%) linmin: converged after 28 iterations. iteration 777: trace = 2.412630298882664 (1.43487e-07% change) linmin: converged after 20 iterations. iteration 778: trace = 2.412630293349228 (2.29353e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.412630291782287 (6.49474e-08% change) large trace change predicted (3.79797e-07%) linmin: converged after 17 iterations. iteration 780: trace = 2.412630282619255 (3.79794e-07% change) linmin: converged after 18 iterations. iteration 781: trace = 2.412630278611255 (1.66126e-07% change) large trace change predicted (3.44064e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.412630270310145 (3.44069e-07% change) linmin: converged after 11 iterations. iteration 783: trace = 2.412630264638863 (2.35066e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630262012753 (1.08848e-07% change) linmin: converged after 2 iterations. iteration 785: trace = 2.412630257534532 (1.85616e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.412630253415061 (1.70746e-07% change) linmin: converged after 3 iterations. iteration 787: trace = 2.412630252621948 (3.28734e-08% change) large trace change predicted (1.43601e-07%) linmin: converged after 24 iterations. iteration 788: trace = 2.41263024915729 (1.43605e-07% change) linmin: converged after 3 iterations. iteration 789: trace = 2.412630247705548 (6.01726e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.412630246642179 (4.40751e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630244692875 (8.07958e-08% change) linmin: converged after 14 iterations. iteration 792: trace = 2.412630242850142 (7.63786e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630241342932 (6.24717e-08% change) linmin: converged after 24 iterations. iteration 794: trace = 2.412630238989813 (9.75333e-08% change) linmin: converged after 3 iterations. iteration 795: trace = 2.412630237919453 (4.43649e-08% change) linmin: converged after 26 iterations. iteration 796: trace = 2.41263023639565 (6.31594e-08% change) linmin: converged after 3 iterations. iteration 797: trace = 2.412630234404551 (8.25282e-08% change) linmin: converged after 22 iterations. iteration 798: trace = 2.412630231415624 (1.23887e-07% change) linmin: converged after 15 iterations. iteration 799: trace = 2.412630229447239 (8.15867e-08% change) large trace change predicted (2.53304e-07%) linmin: converged after 3 iterations. iteration 800: trace = 2.412630223336504 (2.53281e-07% change) linmin: converged after 14 iterations. iteration 801: trace = 2.412630219508458 (1.58667e-07% change) linmin: converged after 3 iterations. iteration 802: trace = 2.41263021656119 (1.2216e-07% change) large trace change predicted (4.23832e-07%) linmin: converged after 19 iterations. iteration 803: trace = 2.412630206338954 (4.23697e-07% change) linmin: converged after 11 iterations. iteration 804: trace = 2.412630200502285 (2.41921e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.412630194327604 (2.55931e-07% change) linmin: converged after 6 iterations. iteration 806: trace = 2.412630189155901 (2.1436e-07% change) linmin: converged after 23 iterations. iteration 807: trace = 2.412630184255125 (2.0313e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630183113364 (4.73243e-08% change) large trace change predicted (1.78707e-07%) linmin: converged after 5 iterations. iteration 809: trace = 2.412630178802017 (1.78699e-07% change) linmin: converged after 3 iterations. iteration 810: trace = 2.412630176103099 (1.11866e-07% change) linmin: converged after 15 iterations. iteration 811: trace = 2.412630174655609 (5.99964e-08% change) large trace change predicted (1.468e-07%) linmin: converged after 3 iterations. iteration 812: trace = 2.412630171114174 (1.46787e-07% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630170541555 (2.37342e-08% change) large trace change predicted (8.56223e-08%) linmin: converged after 6 iterations. iteration 814: trace = 2.412630168475846 (8.56206e-08% change) linmin: converged after 6 iterations. iteration 815: trace = 2.412630166425033 (8.50032e-08% change) linmin: converged after 3 iterations. iteration 816: trace = 2.41263016596134 (1.92194e-08% change) large trace change predicted (1.22756e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.412630162999704 (1.22756e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.412630161544896 (6.02997e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630160401213 (4.7404e-08% change) large trace change predicted (1.04857e-07%) linmin: converged after 3 iterations. iteration 820: trace = 2.412630157871396 (1.04857e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.412630155502437 (9.81899e-08% change) linmin: converged after 17 iterations. iteration 822: trace = 2.41263015373589 (7.32208e-08% change) large trace change predicted (2.11537e-07%) linmin: converged after 3 iterations. iteration 823: trace = 2.412630148632152 (2.11543e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.412630147596164 (4.29402e-08% change) large trace change predicted (4.24036e-07%) linmin: converged after 9 iterations. iteration 825: trace = 2.412630137365308 (4.24054e-07% change) linmin: converged after 4 iterations. iteration 826: trace = 2.412630131637216 (2.37421e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.412630125367094 (2.59887e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.412630115580674 (4.05633e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.412630106176529 (3.89788e-07% change) linmin: converged after 38 iterations. iteration 830: trace = 2.412630104317195 (7.70667e-08% change) large trace change predicted (1.84428e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.41263009986758 (1.8443e-07% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630097204729 (1.10371e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630096236547 (4.01297e-08% change) large trace change predicted (1.12539e-07%) linmin: converged after 9 iterations. iteration 834: trace = 2.412630093521376 (1.1254e-07% change) linmin: converged after 3 iterations. iteration 835: trace = 2.41263009130243 (9.19721e-08% change) linmin: converged after 3 iterations. iteration 836: trace = 2.41263009081976 (2.0006e-08% change) large trace change predicted (1.0333e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.412630088326788 (1.0333e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630087184927 (4.73285e-08% change) linmin: converged after 7 iterations. iteration 839: trace = 2.412630086005061 (4.89037e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 840: trace = 2.412630084853224 (4.77419e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630083775452 (4.46721e-08% change) large trace change predicted (9.87849e-08%) linmin: converged after 4 iterations. iteration 842: trace = 2.412630081392131 (9.87852e-08% change) linmin: converged after 3 iterations. iteration 843: trace = 2.412630080919055 (1.96083e-08% change) large trace change predicted (8.72356e-08%) linmin: converged after 19 iterations. iteration 844: trace = 2.412630078814388 (8.72354e-08% change) linmin: converged after 9 iterations. iteration 845: trace = 2.412630076522828 (9.49818e-08% change) linmin: converged after 3 iterations. iteration 846: trace = 2.412630075547689 (4.04181e-08% change) large trace change predicted (9.2334e-08%) linmin: converged after 4 iterations. iteration 847: trace = 2.412630073320048 (9.23325e-08% change) linmin: converged after 13 iterations. iteration 848: trace = 2.412630069081791 (1.7567e-07% change) linmin: converged after 2 iterations. iteration 849: trace = 2.412630067837733 (5.15644e-08% change) large trace change predicted (3.41124e-07%) linmin: converged after 30 iterations. iteration 850: trace = 2.412630059607968 (3.41112e-07% change) linmin: converged after 6 iterations. iteration 851: trace = 2.412630055236741 (1.81181e-07% change) linmin: converged after 14 iterations. iteration 852: trace = 2.412630048927199 (2.61521e-07% change) linmin: converged after 3 iterations. iteration 853: trace = 2.41263004326056 (2.34874e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.412630035362064 (3.27381e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.412630034623983 (3.05924e-08% change) large trace change predicted (1.22412e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.412630031670645 (1.22412e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.412630029864731 (7.48525e-08% change) linmin: converged after 9 iterations. iteration 858: trace = 2.412630029083334 (3.23878e-08% change) large trace change predicted (7.69998e-08%) linmin: converged after 3 iterations. iteration 859: trace = 2.412630027225611 (7.69999e-08% change) linmin: converged after 3 iterations. iteration 860: trace = 2.412630026050904 (4.86899e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.412630025045656 (4.16661e-08% change) linmin: converged after 2 iterations. iteration 862: trace = 2.412630023160149 (7.81515e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.412630022805833 (1.46859e-08% change) large trace change predicted (4.65662e-08%) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021682353 (4.65666e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.412630020105678 (6.53509e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.412630019766103 (1.40749e-08% change) large trace change predicted (9.34969e-08%) linmin: converged after 20 iterations. iteration 867: trace = 2.412630017510174 (9.3505e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630016426371 (4.4922e-08% change) linmin: converged after 7 iterations. iteration 869: trace = 2.412630015371302 (4.37311e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.412630013401023 (8.16652e-08% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630010552538 (1.18066e-07% change) linmin: converged after 3 iterations. iteration 872: trace = 2.4126300097959 (3.13615e-08% change) large trace change predicted (1.66541e-07%) linmin: converged after 5 iterations. iteration 873: trace = 2.412630005777557 (1.66554e-07% change) linmin: converged after 3 iterations. iteration 874: trace = 2.412630000327308 (2.25905e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629997601611 (1.12976e-07% change) linmin: converged after 3 iterations. iteration 876: trace = 2.412629996002416 (6.62843e-08% change) large trace change predicted (2.32807e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.412629990384681 (2.32847e-07% change) linmin: converged after 5 iterations. iteration 878: trace = 2.412629989772531 (2.53727e-08% change) large trace change predicted (1.47967e-07%) linmin: converged after 4 iterations. iteration 879: trace = 2.412629986202342 (1.47979e-07% change) linmin: converged after 16 iterations. iteration 880: trace = 2.412629985180147 (4.23685e-08% change) linmin: converged after 2 iterations. iteration 881: trace = 2.4126299837857 (5.77978e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.412629982846029 (3.8948e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629982045632 (3.31753e-08% change) linmin: converged after 28 iterations. iteration 884: trace = 2.412629981563856 (1.99689e-08% change) large trace change predicted (4.71691e-08%) linmin: converged after 3 iterations. iteration 885: trace = 2.412629980425849 (4.71688e-08% change) linmin: converged after 6 iterations. iteration 886: trace = 2.412629980010091 (1.72326e-08% change) large trace change predicted (5.13306e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.412629978771683 (5.13302e-08% change) linmin: converged after 3 iterations. iteration 888: trace = 2.412629978098695 (2.78943e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.412629977621283 (1.97881e-08% change) large trace change predicted (4.03133e-08%) linmin: converged after 3 iterations. iteration 890: trace = 2.412629976648673 (4.03133e-08% change) linmin: converged after 15 iterations. iteration 891: trace = 2.412629975084502 (6.48326e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.412629974734866 (1.44919e-08% change) large trace change predicted (6.46005e-08%) linmin: converged after 4 iterations. iteration 893: trace = 2.412629973176286 (6.46009e-08% change) linmin: converged after 10 iterations. iteration 894: trace = 2.412629971143999 (8.42353e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.412629970287078 (3.55181e-08% change) large trace change predicted (1.21358e-07%) linmin: converged after 7 iterations. iteration 896: trace = 2.412629967359126 (1.21359e-07% change) linmin: converged after 5 iterations. iteration 897: trace = 2.41262996325066 (1.7029e-07% change) linmin: converged after 10 iterations. iteration 898: trace = 2.412629961827745 (5.89777e-08% change) large trace change predicted (1.47248e-07%) linmin: converged after 13 iterations. iteration 899: trace = 2.412629958275279 (1.47245e-07% change) linmin: converged after 22 iterations. iteration 900: trace = 2.41262995762309 (2.70323e-08% change) large trace change predicted (6.70779e-08%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629956004767 (6.70771e-08% change) linmin: converged after 8 iterations. iteration 902: trace = 2.412629953853624 (8.91618e-08% change) linmin: converged after 6 iterations. iteration 903: trace = 2.412629952339011 (6.27785e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.412629951824864 (2.13106e-08% change) large trace change predicted (4.56631e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.412629950723184 (4.56631e-08% change) linmin: converged after 9 iterations. iteration 906: trace = 2.41262995043129 (1.20986e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.412629950115063 (1.31072e-08% change) large trace change predicted (4.82051e-08%) linmin: converged after 9 iterations. iteration 908: trace = 2.412629948952074 (4.82042e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.412629948000506 (3.94411e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.412629947096256 (3.74798e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.412629946063116 (4.28222e-08% change) linmin: converged after 13 iterations. iteration 912: trace = 2.412629945705591 (1.48189e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.412629945403778 (1.25097e-08% change) large trace change predicted (3.66869e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.412629944518654 (3.66871e-08% change) linmin: converged after 8 iterations. iteration 915: trace = 2.412629943941131 (2.39375e-08% change) linmin: converged after 19 iterations. iteration 916: trace = 2.412629942846111 (4.5387e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.41262994195871 (3.67815e-08% change) linmin: converged after 3 iterations. iteration 918: trace = 2.412629940945351 (4.20023e-08% change) linmin: converged after 32 iterations. iteration 919: trace = 2.412629939456953 (6.16919e-08% change) large trace change predicted (1.39475e-07%) linmin: converged after 4 iterations. iteration 920: trace = 2.412629936091918 (1.39476e-07% change) linmin: converged after 8 iterations. iteration 921: trace = 2.412629935440238 (2.70112e-08% change) large trace change predicted (1.37329e-07%) linmin: converged after 16 iterations. iteration 922: trace = 2.41262993212697 (1.3733e-07% change) linmin: converged after 9 iterations. iteration 923: trace = 2.412629929854697 (9.41824e-08% change) linmin: converged after 25 iterations. iteration 924: trace = 2.41262992903042 (3.41651e-08% change) large trace change predicted (6.89212e-08%) linmin: converged after 13 iterations. iteration 925: trace = 2.412629927367583 (6.89222e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925481372 (7.81807e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629925170021 (1.2905e-08% change) large trace change predicted (4.50779e-08%) linmin: converged after 2 iterations. iteration 928: trace = 2.412629924082459 (4.50779e-08% change) linmin: converged after 3 iterations. iteration 929: trace = 2.412629923616154 (1.93277e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629923335968 (1.16133e-08% change) large trace change predicted (3.70642e-08%) linmin: converged after 3 iterations. iteration 931: trace = 2.412629922441755 (3.70638e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.412629921545873 (3.7133e-08% change) linmin: converged after 3 iterations. iteration 933: trace = 2.412629921236584 (1.28196e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920621312 (2.55021e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919788004 (3.45394e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.412629919585213 (8.4054e-09% change) large trace change predicted (3.2847e-08%) linmin: converged after 3 iterations. iteration 937: trace = 2.412629918792752 (3.28463e-08% change) linmin: converged after 20 iterations. iteration 938: trace = 2.412629917916981 (3.62995e-08% change) linmin: converged after 3 iterations. iteration 939: trace = 2.412629917146474 (3.19364e-08% change) linmin: converged after 8 iterations. iteration 940: trace = 2.412629916255733 (3.69199e-08% change) large trace change predicted (8.63994e-08%) linmin: converged after 3 iterations. iteration 941: trace = 2.412629914171304 (8.63966e-08% change) linmin: converged after 10 iterations. iteration 942: trace = 2.412629913732433 (1.81906e-08% change) large trace change predicted (1.72939e-07%) linmin: converged after 22 iterations. iteration 943: trace = 2.412629909560476 (1.72922e-07% change) linmin: converged after 2 iterations. iteration 944: trace = 2.412629908693916 (3.59176e-08% change) large trace change predicted (1.61041e-07%) linmin: converged after 4 iterations. iteration 945: trace = 2.412629904808962 (1.61026e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.412629902806294 (8.30077e-08% change) linmin: converged after 12 iterations. iteration 947: trace = 2.412629901003231 (7.47343e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.412629900520371 (2.00138e-08% change) large trace change predicted (6.2617e-08%) linmin: converged after 8 iterations. iteration 949: trace = 2.412629899009689 (6.26156e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.412629897714054 (5.37022e-08% change) linmin: converged after 9 iterations. iteration 951: trace = 2.412629897292119 (1.74886e-08% change) large trace change predicted (4.40285e-08%) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896229895 (4.40277e-08% change) linmin: converged after 7 iterations. iteration 953: trace = 2.412629895835679 (1.63397e-08% change) linmin: converged after 31 iterations. iteration 954: trace = 2.41262989545988 (1.55763e-08% change) large trace change predicted (4.40494e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.412629894397146 (4.40488e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629894177326 (9.11121e-09% change) large trace change predicted (4.35654e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.41262989312627 (4.35648e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.412629892693353 (1.79438e-08% change) linmin: converged after 3 iterations. iteration 959: trace = 2.412629892094426 (2.48246e-08% change) linmin: converged after 5 iterations. iteration 960: trace = 2.412629891158984 (3.87727e-08% change) linmin: converged after 6 iterations. iteration 961: trace = 2.412629890450349 (2.93719e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.412629890044665 (1.6815e-08% change) large trace change predicted (7.79877e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.412629888163096 (7.79883e-08% change) linmin: converged after 3 iterations. iteration 964: trace = 2.412629886947771 (5.03734e-08% change) large trace change predicted (1.19346e-07%) linmin: converged after 4 iterations. iteration 965: trace = 2.412629884068335 (1.19348e-07% change) linmin: converged after 4 iterations. iteration 966: trace = 2.412629880344576 (1.54344e-07% change) linmin: converged after 10 iterations. iteration 967: trace = 2.412629877828252 (1.04298e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.412629876766644 (4.40021e-08% change) large trace change predicted (1.53344e-07%) linmin: converged after 24 iterations. iteration 969: trace = 2.41262987306691 (1.53349e-07% change) linmin: converged after 3 iterations. iteration 970: trace = 2.412629872084477 (4.07204e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.412629870941752 (4.73643e-08% change) linmin: converged after 4 iterations. iteration 972: trace = 2.412629869864672 (4.46434e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.41262986936404 (2.07505e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.412629868864745 (2.06951e-08% change) linmin: converged after 13 iterations. iteration 975: trace = 2.412629868071305 (3.28869e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.412629867904632 (6.90837e-09% change) large trace change predicted (4.18304e-08%) linmin: converged after 3 iterations. iteration 977: trace = 2.412629866895409 (4.18308e-08% change) linmin: converged after 4 iterations. iteration 978: trace = 2.412629866098786 (3.30189e-08% change) linmin: converged after 3 iterations. iteration 979: trace = 2.412629864748495 (5.59676e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629863545178 (4.98757e-08% change) linmin: converged after 8 iterations. iteration 981: trace = 2.412629862858517 (2.84611e-08% change) linmin: converged after 3 iterations. iteration 982: trace = 2.412629862100964 (3.13994e-08% change) linmin: converged after 3 iterations. iteration 983: trace = 2.412629861885926 (8.91302e-09% change) large trace change predicted (3.86844e-08%) linmin: converged after 4 iterations. iteration 984: trace = 2.412629860952619 (3.86842e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.412629860525339 (1.77102e-08% change) linmin: converged after 5 iterations. iteration 986: trace = 2.412629860196476 (1.36309e-08% change) large trace change predicted (3.9324e-08%) linmin: converged after 21 iterations. iteration 987: trace = 2.412629859247733 (3.9324e-08% change) linmin: converged after 17 iterations. iteration 988: trace = 2.412629858594462 (2.70772e-08% change) linmin: converged after 7 iterations. iteration 989: trace = 2.412629857614493 (4.06183e-08% change) large trace change predicted (1.15146e-07%) linmin: converged after 4 iterations. iteration 990: trace = 2.412629854836491 (1.15144e-07% change) linmin: converged after 19 iterations. iteration 991: trace = 2.412629854082428 (3.12548e-08% change) large trace change predicted (6.28935e-08%) linmin: converged after 4 iterations. iteration 992: trace = 2.412629852565037 (6.28937e-08% change) large trace change predicted (1.49805e-07%) linmin: converged after 3 iterations. iteration 993: trace = 2.412629848950882 (1.49801e-07% change) linmin: converged after 30 iterations. iteration 994: trace = 2.412629848207922 (3.07946e-08% change) large trace change predicted (7.84549e-08%) linmin: converged after 12 iterations. iteration 995: trace = 2.412629846315109 (7.84543e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.41262984535935 (3.96148e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.412629844930482 (1.7776e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.412629844252526 (2.81003e-08% change) linmin: converged after 3 iterations. iteration 999: trace = 2.412629843325026 (3.84435e-08% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.412629843164996 (6.63302e-09% change) large trace change predicted (2.14305e-08%) linmin: converged after 25 iterations. iteration 1001: trace = 2.412629842647958 (2.14305e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629842207104 (1.82728e-08% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.412629841946901 (1.0785e-08% change) linmin: converged after 10 iterations. iteration 1004: trace = 2.412629841632628 (1.30262e-08% change) large trace change predicted (2.69475e-08%) linmin: converged after 30 iterations. iteration 1005: trace = 2.412629840982474 (2.69479e-08% change) linmin: converged after 22 iterations. iteration 1006: trace = 2.412629840877706 (4.34251e-09% change) large trace change predicted (3.23115e-08%) linmin: converged after 5 iterations. iteration 1007: trace = 2.41262984009813 (3.23123e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.412629839751881 (1.43515e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.41262983958712 (6.82911e-09% change) large trace change predicted (4.12517e-08%) linmin: converged after 5 iterations. iteration 1010: trace = 2.412629838591845 (4.12527e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629838120655 (1.95301e-08% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.412629837510762 (2.52792e-08% change) large trace change predicted (6.32167e-08%) linmin: converged after 15 iterations. iteration 1013: trace = 2.412629835985489 (6.32203e-08% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.412629835631574 (1.46693e-08% change) large trace change predicted (7.57536e-08%) linmin: converged after 19 iterations. iteration 1015: trace = 2.412629833803829 (7.57574e-08% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.412629832362236 (5.9752e-08% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.412629831910247 (1.87343e-08% change) large trace change predicted (7.29303e-08%) linmin: converged after 22 iterations. iteration 1018: trace = 2.412629830150612 (7.29343e-08% change) linmin: converged after 27 iterations. iteration 1019: trace = 2.412629829443364 (2.93144e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629828968342 (1.9689e-08% change) linmin: converged after 9 iterations. iteration 1021: trace = 2.412629828506349 (1.91489e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.412629827984003 (2.16505e-08% change) linmin: converged after 31 iterations. iteration 1023: trace = 2.412629827616924 (1.52149e-08% change) linmin: converged after 16 iterations. iteration 1024: trace = 2.412629827409932 (8.57949e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629827030375 (1.57321e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.412629826909312 (5.01787e-09% change) large trace change predicted (1.45454e-08%) linmin: converged after 4 iterations. iteration 1027: trace = 2.412629826558385 (1.45454e-08% change) linmin: converged after 27 iterations. iteration 1028: trace = 2.412629826249745 (1.27927e-08% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629826162839 (3.60211e-09% change) large trace change predicted (1.99901e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629825680554 (1.999e-08% change) linmin: converged after 13 iterations. iteration 1031: trace = 2.41262982547264 (8.6177e-09% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.412629825146364 (1.35237e-08% change) linmin: converged after 22 iterations. iteration 1033: trace = 2.412629824792251 (1.46775e-08% change) linmin: converged after 6 iterations. iteration 1034: trace = 2.412629824093842 (2.8948e-08% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.41262982367828 (1.72244e-08% change) large trace change predicted (4.03548e-08%) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629822704666 (4.03549e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.412629822310552 (1.63354e-08% change) large trace change predicted (7.0546e-08%) linmin: converged after 11 iterations. iteration 1038: trace = 2.412629820608553 (7.05454e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629819755971 (3.53383e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.412629819101847 (2.71125e-08% change) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629818478117 (2.58527e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.412629817860864 (2.55842e-08% change) linmin: converged after 34 iterations. iteration 1043: trace = 2.412629817739202 (5.04274e-09% change) large trace change predicted (2.31791e-08%) linmin: converged after 38 iterations. iteration 1044: trace = 2.412629817179984 (2.31788e-08% change) linmin: converged after 7 iterations. iteration 1045: trace = 2.412629817058231 (5.04646e-09% change) large trace change predicted (1.48557e-08%) linmin: converged after 24 iterations. iteration 1046: trace = 2.41262981669982 (1.48556e-08% change) linmin: converged after 14 iterations. iteration 1047: trace = 2.412629816529682 (7.05198e-09% change) linmin: converged after 6 iterations. iteration 1048: trace = 2.412629816447601 (3.40212e-09% change) large trace change predicted (1.03698e-08%) linmin: converged after 12 iterations. iteration 1049: trace = 2.412629816197413 (1.03699e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.412629815984674 (8.81769e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.412629815909481 (3.11667e-09% change) large trace change predicted (8.16028e-09%) linmin: converged after 4 iterations. iteration 1052: trace = 2.412629815712607 (8.16014e-09% change) linmin: converged after 2 iterations. iteration 1053: trace = 2.412629815440551 (1.12763e-08% change) linmin: converged after 22 iterations. iteration 1054: trace = 2.412629815353476 (3.60916e-09% change) large trace change predicted (2.10156e-08%) linmin: converged after 5 iterations. iteration 1055: trace = 2.412629814846445 (2.10157e-08% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.412629814710474 (5.63581e-09% change) large trace change predicted (1.94301e-08%) linmin: converged after 2 iterations. iteration 1057: trace = 2.412629814241695 (1.94302e-08% change) linmin: converged after 5 iterations. iteration 1058: trace = 2.412629813657432 (2.42169e-08% change) linmin: converged after 7 iterations. iteration 1059: trace = 2.412629813162883 (2.04983e-08% change) linmin: converged after 12 iterations. iteration 1060: trace = 2.412629812289742 (3.61904e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.412629811028063 (5.22948e-08% change) linmin: converged after 18 iterations. iteration 1062: trace = 2.412629810679151 (1.44619e-08% change) large trace change predicted (2.90844e-08%) linmin: converged after 32 iterations. iteration 1063: trace = 2.412629809977447 (2.90846e-08% change) linmin: converged after 11 iterations. iteration 1064: trace = 2.412629809486695 (2.0341e-08% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.412629809252496 (9.7072e-09% change) large trace change predicted (2.44557e-08%) linmin: converged after 24 iterations. iteration 1066: trace = 2.412629808662468 (2.44558e-08% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.412629808288325 (1.55077e-08% change) linmin: converged after 20 iterations. iteration 1068: trace = 2.412629808183221 (4.35642e-09% change) linmin: converged after 7 iterations. iteration 1069: trace = 2.412629808011935 (7.09954e-09% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.412629807738854 (1.13188e-08% change) linmin: converged after 2 iterations. iteration 1071: trace = 2.412629807677861 (2.52807e-09% change) large trace change predicted (1.5228e-08%) linmin: converged after 2 iterations. iteration 1072: trace = 2.412629807310466 (1.5228e-08% change) linmin: converged after 8 iterations. iteration 1073: trace = 2.412629807206427 (4.3123e-09% change) large trace change predicted (1.18308e-08%) linmin: converged after 32 iterations. iteration 1074: trace = 2.412629806920994 (1.18307e-08% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.412629806704846 (8.95906e-09% change) linmin: converged after 5 iterations. iteration 1076: trace = 2.412629806542727 (6.71959e-09% change) linmin: converged after 3 iterations. iteration 1077: trace = 2.412629806274798 (1.11052e-08% change) linmin: converged after 26 iterations. iteration 1078: trace = 2.412629805845823 (1.77804e-08% change) linmin: converged after 2 iterations. iteration 1079: trace = 2.412629805588176 (1.06791e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629805201436 (1.60298e-08% change) linmin: converged after 7 iterations. iteration 1081: trace = 2.41262980472553 (1.97256e-08% change) large trace change predicted (6.32318e-08%) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629803200066 (6.32283e-08% change) linmin: converged after 4 iterations. iteration 1083: trace = 2.412629802741909 (1.899e-08% change) large trace change predicted (5.37076e-08%) linmin: converged after 22 iterations. iteration 1084: trace = 2.412629801446201 (5.37052e-08% change) linmin: converged after 24 iterations. iteration 1085: trace = 2.412629800862739 (2.41837e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.412629800601384 (1.08328e-08% change) large trace change predicted (3.04478e-08%) linmin: converged after 10 iterations. iteration 1087: trace = 2.412629799866803 (3.04473e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629799350177 (2.14134e-08% change) linmin: converged after 29 iterations. iteration 1089: trace = 2.412629799225591 (5.1639e-09% change) large trace change predicted (1.89076e-08%) linmin: converged after 11 iterations. iteration 1090: trace = 2.412629798769434 (1.89071e-08% change) linmin: converged after 2 iterations. iteration 1091: trace = 2.412629798577574 (7.95231e-09% change) linmin: converged after 3 iterations. iteration 1092: trace = 2.412629798333592 (1.01127e-08% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.412629798124874 (8.65104e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.412629797939717 (7.67448e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.41262979777021 (7.02582e-09% change) large trace change predicted (1.5569e-08%) linmin: converged after 3 iterations. iteration 1096: trace = 2.412629797394588 (1.5569e-08% change) linmin: converged after 7 iterations. iteration 1097: trace = 2.412629797326813 (2.80918e-09% change) large trace change predicted (8.10864e-09%) linmin: converged after 4 iterations. iteration 1098: trace = 2.412629797131182 (8.10861e-09% change) linmin: converged after 25 iterations. iteration 1099: trace = 2.412629796756931 (1.55122e-08% change) linmin: converged after 11 iterations. iteration 1100: trace = 2.412629796595836 (6.67716e-09% change) large trace change predicted (1.55985e-08%) linmin: converged after 13 iterations. iteration 1101: trace = 2.412629796219503 (1.55985e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.41262979567259 (2.26687e-08% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.412629795547905 (5.168e-09% change) large trace change predicted (4.93729e-08%) linmin: converged after 2 iterations. iteration 1104: trace = 2.412629794356703 (4.93736e-08% change) linmin: converged after 22 iterations. iteration 1105: trace = 2.412629793449353 (3.76083e-08% change) linmin: converged after 32 iterations. iteration 1106: trace = 2.41262979269133 (3.1419e-08% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.412629791839958 (3.52881e-08% change) linmin: converged after 9 iterations. iteration 1108: trace = 2.412629790416732 (5.89906e-08% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.412629790204755 (8.78616e-09% change) large trace change predicted (2.22164e-08%) linmin: converged after 21 iterations. iteration 1110: trace = 2.412629789668755 (2.22164e-08% change) linmin: converged after 37 iterations. iteration 1111: trace = 2.412629789317712 (1.45502e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.412629789155554 (6.72119e-09% change) linmin: converged after 4 iterations. iteration 1113: trace = 2.412629788911368 (1.01212e-08% change) linmin: converged after 24 iterations. iteration 1114: trace = 2.412629788675285 (9.78527e-09% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.412629788600126 (3.11525e-09% change) large trace change predicted (1.42705e-08%) linmin: converged after 3 iterations. iteration 1116: trace = 2.41262978825583 (1.42706e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.41262978816116 (3.92394e-09% change) large trace change predicted (1.74541e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629787740058 (1.74541e-08% change) large trace change predicted (6.3657e-08%) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786204226 (6.3658e-08% change) resetting CG direction... linmin: converged after 30 iterations. iteration 1120: trace = 2.412629785285744 (3.80698e-08% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.412629784620151 (2.75879e-08% change) linmin: converged after 22 iterations. iteration 1122: trace = 2.412629784332103 (1.19391e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.412629784238997 (3.85913e-09% change) large trace change predicted (1.05024e-08%) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629783985613 (1.05024e-08% change) linmin: converged after 15 iterations. iteration 1125: trace = 2.412629783779505 (8.54288e-09% change) linmin: converged after 14 iterations. iteration 1126: trace = 2.412629783693836 (3.55088e-09% change) large trace change predicted (8.91197e-09%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629783478826 (8.91184e-09% change) linmin: converged after 19 iterations. iteration 1128: trace = 2.412629783185753 (1.21474e-08% change) linmin: converged after 6 iterations. iteration 1129: trace = 2.412629783091349 (3.91289e-09% change) large trace change predicted (2.23757e-08%) linmin: converged after 9 iterations. iteration 1130: trace = 2.412629782551514 (2.23754e-08% change) linmin: converged after 8 iterations. iteration 1131: trace = 2.412629782250037 (1.24958e-08% change) large trace change predicted (2.58146e-08%) linmin: converged after 3 iterations. iteration 1132: trace = 2.412629781627233 (2.58143e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629781118458 (2.1088e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629780624438 (2.04764e-08% change) linmin: converged after 27 iterations. iteration 1135: trace = 2.412629779799263 (3.42023e-08% change) linmin: converged after 5 iterations. iteration 1136: trace = 2.412629779002777 (3.30132e-08% change) linmin: converged after 6 iterations. iteration 1137: trace = 2.412629778802315 (8.30889e-09% change) linmin: converged after 30 iterations. iteration 1138: trace = 2.41262977864878 (6.36376e-09% change) large trace change predicted (1.44523e-08%) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629778300097 (1.44524e-08% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.41262977804243 (1.06799e-08% change) linmin: converged after 2 iterations. iteration 1141: trace = 2.412629777972584 (2.89497e-09% change) large trace change predicted (1.20991e-08%) linmin: converged after 2 iterations. iteration 1142: trace = 2.412629777680676 (1.20992e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.412629777627251 (2.21438e-09% change) large trace change predicted (6.60275e-09%) linmin: converged after 6 iterations. iteration 1144: trace = 2.412629777467953 (6.60269e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629777328626 (5.77491e-09% change) linmin: converged after 18 iterations. iteration 1146: trace = 2.412629777281504 (1.95315e-09% change) large trace change predicted (7.51945e-09%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629777100085 (7.51955e-09% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629776899561 (8.31141e-09% change) linmin: converged after 17 iterations. iteration 1149: trace = 2.412629776856743 (1.77475e-09% change) large trace change predicted (6.23329e-09%) linmin: converged after 6 iterations. iteration 1150: trace = 2.412629776706354 (6.23339e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629776455408 (1.04013e-08% change) linmin: converged after 3 iterations. iteration 1152: trace = 2.412629776329157 (5.23292e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.4126297760858 (1.00868e-08% change) large trace change predicted (2.52895e-08%) linmin: converged after 10 iterations. iteration 1154: trace = 2.412629775475638 (2.52903e-08% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.412629775355432 (4.98239e-09% change) large trace change predicted (3.10659e-08%) linmin: converged after 14 iterations. iteration 1156: trace = 2.412629774605901 (3.1067e-08% change) linmin: converged after 11 iterations. iteration 1157: trace = 2.412629774238465 (1.52297e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774098556 (5.79902e-09% change) large trace change predicted (2.37378e-08%) linmin: converged after 7 iterations. iteration 1159: trace = 2.412629773525842 (2.37382e-08% change) linmin: converged after 6 iterations. iteration 1160: trace = 2.41262977323481 (1.20628e-08% change) linmin: converged after 23 iterations. iteration 1161: trace = 2.4126297731781 (2.35057e-09% change) large trace change predicted (7.86384e-09%) linmin: converged after 6 iterations. iteration 1162: trace = 2.412629772988374 (7.86387e-09% change) linmin: converged after 10 iterations. iteration 1163: trace = 2.412629772801721 (7.73647e-09% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.412629772738612 (2.61578e-09% change) linmin: converged after 6 iterations. iteration 1165: trace = 2.412629772656318 (3.41096e-09% change) large trace change predicted (8.49693e-09%) linmin: converged after 29 iterations. iteration 1166: trace = 2.412629772451317 (8.49703e-09% change) linmin: converged after 6 iterations. iteration 1167: trace = 2.412629772424772 (1.10025e-09% change) large trace change predicted (6.62217e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.412629772265004 (6.62214e-09% change) linmin: converged after 12 iterations. iteration 1169: trace = 2.412629772217689 (1.96114e-09% change) linmin: converged after 22 iterations. iteration 1170: trace = 2.412629772171407 (1.91831e-09% change) large trace change predicted (4.56178e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629772061349 (4.56173e-09% change) linmin: converged after 3 iterations. iteration 1172: trace = 2.412629771978395 (3.43833e-09% change) linmin: converged after 23 iterations. iteration 1173: trace = 2.412629771870292 (4.48072e-09% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.412629771677091 (8.0079e-09% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629771578531 (4.08518e-09% change) linmin: converged after 24 iterations. iteration 1176: trace = 2.412629771400784 (7.36734e-09% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.412629771106779 (1.21861e-08% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629770816844 (1.20174e-08% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629770432511 (1.59301e-08% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.412629770139651 (1.21386e-08% change) linmin: converged after 4 iterations. iteration 1181: trace = 2.412629769998484 (5.85117e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.412629769799624 (8.24246e-09% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.412629769495837 (1.25915e-08% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.412629769466725 (1.20666e-09% change) large trace change predicted (7.2298e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629769292296 (7.22984e-09% change) linmin: converged after 9 iterations. iteration 1186: trace = 2.412629769190405 (4.22321e-09% change) linmin: converged after 20 iterations. iteration 1187: trace = 2.412629769163527 (1.11404e-09% change) large trace change predicted (3.41711e-09%) linmin: converged after 4 iterations. iteration 1188: trace = 2.412629769081087 (3.41705e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629769046571 (1.43064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1190: trace = 2.412629769024984 (8.94739e-10% change) large trace change predicted (3.7042e-09%) linmin: converged after 18 iterations. iteration 1191: trace = 2.412629768935619 (3.70405e-09% change) linmin: converged after 18 iterations. iteration 1192: trace = 2.412629768911174 (1.01321e-09% change) large trace change predicted (3.6588e-09%) linmin: converged after 3 iterations. iteration 1193: trace = 2.412629768822903 (3.65871e-09% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.412629768713915 (4.51741e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.412629768649593 (2.66605e-09% change) linmin: converged after 20 iterations. iteration 1196: trace = 2.412629768567772 (3.39137e-09% change) large trace change predicted (1.2651e-08%) linmin: converged after 26 iterations. iteration 1197: trace = 2.412629768262549 (1.2651e-08% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.412629768204813 (2.39306e-09% change) large trace change predicted (1.49944e-08%) linmin: converged after 4 iterations. iteration 1199: trace = 2.412629767843053 (1.49944e-08% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.412629767641397 (8.35839e-09% change) linmin: converged after 3 iterations. iteration 1201: trace = 2.412629767510981 (5.40554e-09% change) large trace change predicted (1.75094e-08%) linmin: converged after 20 iterations. iteration 1202: trace = 2.412629767088543 (1.75094e-08% change) linmin: converged after 5 iterations. iteration 1203: trace = 2.412629766844732 (1.01056e-08% change) linmin: converged after 22 iterations. iteration 1204: trace = 2.412629766789431 (2.29215e-09% change) large trace change predicted (7.40759e-09%) linmin: converged after 7 iterations. iteration 1205: trace = 2.412629766610714 (7.40754e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629766545879 (2.68733e-09% change) linmin: converged after 16 iterations. iteration 1207: trace = 2.412629766491425 (2.25703e-09% change) linmin: converged after 14 iterations. iteration 1208: trace = 2.412629766410604 (3.34994e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629766322941 (3.63349e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.412629766300547 (9.28202e-10% change) large trace change predicted (4.56964e-09%) linmin: converged after 27 iterations. iteration 1211: trace = 2.4126297661903 (4.56956e-09% change) linmin: converged after 28 iterations. iteration 1212: trace = 2.412629766159679 (1.26923e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.412629766107209 (2.17479e-09% change) large trace change predicted (6.15387e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629765958738 (6.15393e-09% change) linmin: converged after 15 iterations. iteration 1215: trace = 2.412629765937721 (8.71123e-10% change) large trace change predicted (6.05422e-09%) linmin: converged after 6 iterations. iteration 1216: trace = 2.412629765791655 (6.0542e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629765696566 (3.94133e-09% change) linmin: converged after 5 iterations. iteration 1218: trace = 2.412629765652163 (1.84041e-09% change) large trace change predicted (5.42084e-09%) linmin: converged after 4 iterations. iteration 1219: trace = 2.412629765521383 (5.42067e-09% change) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629765292854 (9.47217e-09% change) linmin: converged after 27 iterations. iteration 1221: trace = 2.412629764865739 (1.77033e-08% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.412629764759303 (4.41161e-09% change) large trace change predicted (8.85154e-09%) linmin: converged after 4 iterations. iteration 1223: trace = 2.412629764545749 (8.85149e-09% change) large trace change predicted (2.17488e-08%) linmin: converged after 4 iterations. iteration 1224: trace = 2.41262976402105 (2.1748e-08% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.412629763896617 (5.15758e-09% change) large trace change predicted (1.04014e-08%) linmin: converged after 10 iterations. iteration 1226: trace = 2.412629763645672 (1.04013e-08% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629763491985 (6.37011e-09% change) linmin: converged after 12 iterations. iteration 1228: trace = 2.41262976344217 (2.06477e-09% change) large trace change predicted (4.41001e-09%) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763335776 (4.40988e-09% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.412629763253042 (3.42922e-09% change) linmin: converged after 18 iterations. iteration 1231: trace = 2.412629763224399 (1.18719e-09% change) large trace change predicted (4.93031e-09%) linmin: converged after 6 iterations. iteration 1232: trace = 2.412629763105451 (4.93024e-09% change) linmin: converged after 2 iterations. iteration 1233: trace = 2.41262976305002 (2.29751e-09% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.412629762988576 (2.54679e-09% change) linmin: converged after 19 iterations. iteration 1235: trace = 2.412629762925001 (2.63507e-09% change) linmin: converged after 17 iterations. iteration 1236: trace = 2.412629762860254 (2.68368e-09% change) linmin: converged after 3 iterations. iteration 1237: trace = 2.412629762793069 (2.78472e-09% change) large trace change predicted (6.29148e-09%) linmin: converged after 12 iterations. iteration 1238: trace = 2.412629762641278 (6.2915e-09% change) linmin: converged after 20 iterations. iteration 1239: trace = 2.412629762605794 (1.4708e-09% change) large trace change predicted (6.40834e-09%) linmin: converged after 13 iterations. iteration 1240: trace = 2.412629762451185 (6.40831e-09% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.412629762323697 (5.28417e-09% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.41262976226478 (2.44206e-09% change) large trace change predicted (7.71381e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.412629762078673 (7.71385e-09% change) large trace change predicted (1.60411e-08%) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629761691659 (1.60411e-08% change) linmin: converged after 6 iterations. iteration 1245: trace = 2.412629761629774 (2.56505e-09% change) large trace change predicted (2.57066e-08%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761009558 (2.57071e-08% change) linmin: converged after 16 iterations. iteration 1247: trace = 2.412629760625591 (1.59149e-08% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.412629760544272 (3.37055e-09% change) linmin: converged after 5 iterations. iteration 1249: trace = 2.412629760413328 (5.42744e-09% change) linmin: converged after 3 iterations. iteration 1250: trace = 2.412629760264432 (6.1715e-09% change) linmin: converged after 6 iterations. iteration 1251: trace = 2.4126297602213 (1.78775e-09% change) large trace change predicted (5.26641e-09%) linmin: converged after 21 iterations. iteration 1252: trace = 2.412629760094243 (5.26637e-09% change) linmin: converged after 19 iterations. iteration 1253: trace = 2.412629760044959 (2.04274e-09% change) linmin: converged after 3 iterations. iteration 1254: trace = 2.412629759973019 (2.9818e-09% change) linmin: converged after 8 iterations. iteration 1255: trace = 2.412629759890832 (3.40652e-09% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.412629759817618 (3.03465e-09% change) linmin: converged after 2 iterations. iteration 1257: trace = 2.412629759793456 (1.00148e-09% change) large trace change predicted (1.76927e-08%) linmin: converged after 24 iterations. iteration 1258: trace = 2.412629759366595 (1.76927e-08% change) linmin: converged after 2 iterations. iteration 1259: trace = 2.412629758539749 (3.42716e-08% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1260: trace = 2.412629757814551 (3.00584e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629757475903 (1.40365e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.412629757440358 (1.4733e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629757391596 (2.02113e-09% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.412629757294078 (4.04196e-09% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.412629757279372 (6.09525e-10% change) large trace change predicted (3.28627e-09%) linmin: converged after 4 iterations. iteration 1266: trace = 2.412629757200087 (3.28627e-09% change) linmin: converged after 5 iterations. iteration 1267: trace = 2.412629757132211 (2.81338e-09% change) linmin: converged after 8 iterations. iteration 1268: trace = 2.412629757095654 (1.51522e-09% change) large trace change predicted (3.03193e-09%) linmin: converged after 23 iterations. iteration 1269: trace = 2.41262975702251 (3.03172e-09% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.412629756895682 (5.25685e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.412629756858187 (1.55409e-09% change) large trace change predicted (1.02554e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629756610763 (1.02554e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.41262975654644 (2.66612e-09% change) large trace change predicted (9.45677e-09%) linmin: converged after 15 iterations. iteration 1274: trace = 2.412629756318284 (9.4567e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.412629756161828 (6.48488e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.41262975592667 (9.74698e-09% change) linmin: converged after 17 iterations. iteration 1277: trace = 2.412629755840423 (3.57478e-09% change) linmin: converged after 21 iterations. iteration 1278: trace = 2.412629755705498 (5.59246e-09% change) linmin: converged after 5 iterations. iteration 1279: trace = 2.412629755648356 (2.36845e-09% change) linmin: converged after 2 iterations. iteration 1280: trace = 2.412629755578045 (2.91428e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.412629755509844 (2.82683e-09% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629755406726 (4.27409e-09% change) linmin: converged after 13 iterations. iteration 1283: trace = 2.412629755393111 (5.64354e-10% change) large trace change predicted (2.95764e-09%) linmin: converged after 4 iterations. iteration 1284: trace = 2.412629755321753 (2.95765e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629755294154 (1.14395e-09% change) linmin: converged after 25 iterations. iteration 1286: trace = 2.412629755282462 (4.84616e-10% change) large trace change predicted (2.30047e-09%) linmin: converged after 5 iterations. iteration 1287: trace = 2.412629755226958 (2.30058e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629755204038 (9.49996e-10% change) linmin: converged after 8 iterations. iteration 1289: trace = 2.41262975516616 (1.56998e-09% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.412629755112498 (2.22423e-09% change) linmin: converged after 19 iterations. iteration 1291: trace = 2.412629755075933 (1.51557e-09% change) linmin: converged after 10 iterations. iteration 1292: trace = 2.412629755033724 (1.7495e-09% change) large trace change predicted (3.91898e-09%) linmin: converged after 20 iterations. iteration 1293: trace = 2.412629754939174 (3.91895e-09% change) linmin: converged after 10 iterations. iteration 1294: trace = 2.412629754877637 (2.55064e-09% change) large trace change predicted (5.84573e-09%) linmin: converged after 8 iterations. iteration 1295: trace = 2.412629754736601 (5.84572e-09% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.412629754510858 (9.35674e-09% change) linmin: converged after 23 iterations. iteration 1297: trace = 2.412629754444356 (2.75641e-09% change) linmin: converged after 5 iterations. iteration 1298: trace = 2.41262975437153 (3.01852e-09% change) large trace change predicted (8.36449e-09%) linmin: converged after 14 iterations. iteration 1299: trace = 2.412629754169724 (8.36457e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.412629754144384 (1.0503e-09% change) large trace change predicted (3.95064e-09%) linmin: converged after 25 iterations. iteration 1301: trace = 2.412629754049071 (3.95059e-09% change) linmin: converged after 6 iterations. iteration 1302: trace = 2.412629753998836 (2.08216e-09% change) linmin: converged after 8 iterations. iteration 1303: trace = 2.41262975395666 (1.74815e-09% change) linmin: converged after 18 iterations. iteration 1304: trace = 2.412629753934212 (9.30411e-10% change) large trace change predicted (2.17887e-09%) linmin: converged after 27 iterations. iteration 1305: trace = 2.412629753881643 (2.17891e-09% change) linmin: converged after 20 iterations. iteration 1306: trace = 2.41262975385131 (1.25726e-09% change) linmin: converged after 33 iterations. iteration 1307: trace = 2.412629753796222 (2.28333e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.412629753756786 (1.63457e-09% change) linmin: converged after 17 iterations. iteration 1309: trace = 2.412629753743622 (5.45616e-10% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629753729929 (5.67538e-10% change) large trace change predicted (1.55783e-09%) linmin: converged after 4 iterations. iteration 1311: trace = 2.412629753692345 (1.55781e-09% change) linmin: converged after 9 iterations. iteration 1312: trace = 2.412629753684235 (3.36146e-10% change) large trace change predicted (1.9634e-09%) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629753636868 (1.96329e-09% change) linmin: converged after 16 iterations. iteration 1314: trace = 2.412629753584214 (2.18245e-09% change) linmin: converged after 9 iterations. iteration 1315: trace = 2.412629753562221 (9.11581e-10% change) large trace change predicted (2.65107e-09%) linmin: converged after 4 iterations. iteration 1316: trace = 2.412629753498263 (2.65095e-09% change) linmin: converged after 6 iterations. iteration 1317: trace = 2.412629753445835 (2.17306e-09% change) linmin: converged after 9 iterations. iteration 1318: trace = 2.412629753390819 (2.28035e-09% change) large trace change predicted (6.89292e-09%) linmin: converged after 12 iterations. iteration 1319: trace = 2.412629753224519 (6.89291e-09% change) linmin: converged after 24 iterations. iteration 1320: trace = 2.412629753099822 (5.16852e-09% change) linmin: converged after 15 iterations. iteration 1321: trace = 2.412629753058134 (1.72789e-09% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.412629752975014 (3.44519e-09% change) linmin: converged after 18 iterations. iteration 1323: trace = 2.41262975293754 (1.55326e-09% change) linmin: converged after 16 iterations. iteration 1324: trace = 2.41262975292436 (5.46279e-10% change) large trace change predicted (2.35618e-09%) linmin: converged after 23 iterations. iteration 1325: trace = 2.412629752867514 (2.35621e-09% change) linmin: converged after 8 iterations. iteration 1326: trace = 2.412629752848756 (7.77487e-10% change) linmin: converged after 7 iterations. iteration 1327: trace = 2.412629752826945 (9.04016e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629752800048 (1.11483e-09% change) linmin: converged after 6 iterations. iteration 1329: trace = 2.412629752795185 (2.01573e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629752790479 (1.95057e-10% change) large trace change predicted (9.55535e-10%) linmin: converged after 9 iterations. iteration 1331: trace = 2.412629752767428 (9.55445e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.412629752755273 (5.03814e-10% change) linmin: converged after 15 iterations. iteration 1333: trace = 2.412629752736632 (7.72609e-10% change) linmin: converged after 7 iterations. iteration 1334: trace = 2.412629752703226 (1.38466e-09% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.412629752678001 (1.04553e-09% change) linmin: converged after 7 iterations. iteration 1336: trace = 2.41262975265578 (9.21042e-10% change) large trace change predicted (3.37974e-09%) linmin: converged after 4 iterations. iteration 1337: trace = 2.41262975257424 (3.3797e-09% change) linmin: converged after 2 iterations. iteration 1338: trace = 2.412629752538839 (1.46732e-09% change) linmin: converged after 11 iterations. iteration 1339: trace = 2.412629752494285 (1.84672e-09% change) large trace change predicted (4.33282e-09%) linmin: converged after 9 iterations. iteration 1340: trace = 2.412629752389752 (4.33273e-09% change) linmin: converged after 12 iterations. iteration 1341: trace = 2.41262975227677 (4.68292e-09% change) linmin: converged after 10 iterations. iteration 1342: trace = 2.412629752216844 (2.48386e-09% change) linmin: converged after 21 iterations. iteration 1343: trace = 2.412629752136282 (3.33919e-09% change) linmin: converged after 9 iterations. iteration 1344: trace = 2.412629752115947 (8.42831e-10% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.412629752083479 (1.34574e-09% change) linmin: converged after 7 iterations. iteration 1346: trace = 2.412629752053459 (1.24428e-09% change) linmin: converged after 10 iterations. iteration 1347: trace = 2.412629752043635 (4.07196e-10% change) large trace change predicted (1.17762e-09%) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629752015224 (1.1776e-09% change) linmin: converged after 5 iterations. iteration 1349: trace = 2.41262975198604 (1.20966e-09% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.412629751981057 (2.06525e-10% change) large trace change predicted (7.71756e-10%) linmin: converged after 5 iterations. iteration 1351: trace = 2.412629751962437 (7.71781e-10% change) linmin: converged after 2 iterations. iteration 1352: trace = 2.412629751934784 (1.14618e-09% change) linmin: converged after 13 iterations. iteration 1353: trace = 2.412629751924951 (4.07565e-10% change) large trace change predicted (2.27047e-09%) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629751870173 (2.27045e-09% change) linmin: converged after 22 iterations. iteration 1355: trace = 2.41262975183336 (1.52585e-09% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629751817247 (6.67837e-10% change) linmin: converged after 7 iterations. iteration 1357: trace = 2.412629751788747 (1.18132e-09% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.412629751737714 (2.11522e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629751709765 (1.15844e-09% change) large trace change predicted (2.44778e-09%) linmin: converged after 5 iterations. iteration 1360: trace = 2.412629751650712 (2.44767e-09% change) large trace change predicted (6.15912e-09%) linmin: converged after 6 iterations. iteration 1361: trace = 2.412629751502116 (6.15908e-09% change) linmin: converged after 6 iterations. iteration 1362: trace = 2.412629751473994 (1.16563e-09% change) large trace change predicted (2.98533e-09%) linmin: converged after 6 iterations. iteration 1363: trace = 2.412629751401969 (2.98533e-09% change) linmin: converged after 23 iterations. iteration 1364: trace = 2.412629751273424 (5.32801e-09% change) linmin: converged after 5 iterations. iteration 1365: trace = 2.412629751242358 (1.28761e-09% change) large trace change predicted (3.23907e-09%) linmin: converged after 6 iterations. iteration 1366: trace = 2.412629751164213 (3.23904e-09% change) linmin: converged after 25 iterations. iteration 1367: trace = 2.412629751115151 (2.03352e-09% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.41262975109976 (6.37963e-10% change) linmin: converged after 13 iterations. iteration 1369: trace = 2.412629751074046 (1.06578e-09% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.412629751045275 (1.19254e-09% change) linmin: converged after 3 iterations. iteration 1371: trace = 2.412629751029682 (6.46301e-10% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.41262975101026 (8.05005e-10% change) linmin: converged after 17 iterations. iteration 1373: trace = 2.412629750975017 (1.46079e-09% change) linmin: converged after 13 iterations. iteration 1374: trace = 2.41262975096767 (3.04523e-10% change) large trace change predicted (6.34961e-10%) linmin: converged after 4 iterations. iteration 1375: trace = 2.41262975095235 (6.34981e-10% change) large trace change predicted (1.56294e-09%) linmin: converged after 4 iterations. iteration 1376: trace = 2.41262975091464 (1.56304e-09% change) linmin: converged after 13 iterations. iteration 1377: trace = 2.412629750907499 (2.95982e-10% change) large trace change predicted (2.51112e-09%) linmin: converged after 2 iterations. iteration 1378: trace = 2.412629750846915 (2.5111e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.412629750822372 (1.01727e-09% change) linmin: converged after 2 iterations. iteration 1380: trace = 2.412629750787525 (1.44437e-09% change) linmin: converged after 3 iterations. iteration 1381: trace = 2.412629750735961 (2.13724e-09% change) linmin: converged after 28 iterations. iteration 1382: trace = 2.412629750686041 (2.06911e-09% change) linmin: converged after 3 iterations. iteration 1383: trace = 2.412629750652544 (1.38839e-09% change) large trace change predicted (4.3807e-09%) linmin: converged after 25 iterations. iteration 1384: trace = 2.412629750546855 (4.38068e-09% change) linmin: converged after 7 iterations. iteration 1385: trace = 2.412629750387012 (6.62525e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.412629750366087 (8.67294e-10% change) large trace change predicted (4.27266e-09%) linmin: converged after 29 iterations. iteration 1387: trace = 2.412629750263004 (4.27265e-09% change) linmin: converged after 24 iterations. iteration 1388: trace = 2.412629750210093 (2.19308e-09% change) linmin: converged after 20 iterations. iteration 1389: trace = 2.412629750186037 (9.97081e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.412629750143495 (1.76332e-09% change) linmin: converged after 8 iterations. iteration 1391: trace = 2.412629750106079 (1.55081e-09% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.412629750095962 (4.19345e-10% change) large trace change predicted (1.1752e-09%) linmin: converged after 5 iterations. iteration 1393: trace = 2.412629750067611 (1.17513e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629750053986 (5.64704e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629750040806 (5.46297e-10% change) large trace change predicted (1.25483e-09%) linmin: converged after 6 iterations. iteration 1396: trace = 2.412629750010534 (1.25472e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.412629749969502 (1.70072e-09% change) linmin: converged after 10 iterations. iteration 1398: trace = 2.412629749905006 (2.67328e-09% change) large trace change predicted (3.49327e-08%) linmin: converged after 3 iterations. iteration 1399: trace = 2.412629749062203 (3.49329e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1400: trace = 2.412629748818978 (1.00813e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629748703175 (4.79984e-09% change) linmin: converged after 6 iterations. iteration 1402: trace = 2.412629748595444 (4.4653e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.412629748518818 (3.17603e-09% change) linmin: converged after 3 iterations. iteration 1404: trace = 2.412629748454176 (2.67934e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.412629748435982 (7.54129e-10% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.41262974840364 (1.3405e-09% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.412629748368111 (1.47266e-09% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.412629748346367 (9.01236e-10% change) linmin: converged after 2 iterations. iteration 1409: trace = 2.412629748310911 (1.46958e-09% change) linmin: converged after 15 iterations. iteration 1410: trace = 2.412629748288369 (9.34332e-10% change) linmin: converged after 17 iterations. iteration 1411: trace = 2.412629748277399 (4.54704e-10% change) linmin: converged after 7 iterations. iteration 1412: trace = 2.412629748257625 (8.1962e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629748254446 (1.31756e-10% change) large trace change predicted (2.789e-10%) linmin: converged after 13 iterations. iteration 1414: trace = 2.412629748247716 (2.78956e-10% change) large trace change predicted (1.31621e-09%) linmin: converged after 2 iterations. iteration 1415: trace = 2.412629748215961 (1.3162e-09% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629748204464 (4.76535e-10% change) large trace change predicted (1.73027e-09%) linmin: converged after 18 iterations. iteration 1417: trace = 2.412629748162717 (1.73032e-09% change) linmin: converged after 23 iterations. iteration 1418: trace = 2.412629748134357 (1.17552e-09% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.412629748083245 (2.11848e-09% change) linmin: converged after 14 iterations. iteration 1420: trace = 2.412629748043848 (1.63296e-09% change) linmin: converged after 20 iterations. iteration 1421: trace = 2.412629747987947 (2.31704e-09% change) linmin: converged after 12 iterations. iteration 1422: trace = 2.412629747971979 (6.61837e-10% change) large trace change predicted (1.37482e-09%) linmin: converged after 15 iterations. iteration 1423: trace = 2.412629747938809 (1.37486e-09% change) linmin: converged after 21 iterations. iteration 1424: trace = 2.412629747920434 (7.61584e-10% change) linmin: converged after 3 iterations. iteration 1425: trace = 2.412629747900895 (8.09883e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629747895985 (2.03506e-10% change) large trace change predicted (7.66327e-10%) linmin: converged after 8 iterations. iteration 1427: trace = 2.412629747877495 (7.66388e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629747874149 (1.38696e-10% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629747870973 (1.31627e-10% change) large trace change predicted (4.546e-10%) linmin: converged after 4 iterations. iteration 1430: trace = 2.412629747860004 (4.54668e-10% change) linmin: converged after 9 iterations. iteration 1431: trace = 2.412629747848362 (4.82517e-10% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.412629747843392 (2.06009e-10% change) large trace change predicted (7.64629e-10%) linmin: converged after 11 iterations. iteration 1433: trace = 2.412629747824942 (7.64713e-10% change) linmin: converged after 9 iterations. iteration 1434: trace = 2.412629747819464 (2.27067e-10% change) large trace change predicted (8.71153e-10%) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629747798447 (8.71123e-10% change) linmin: converged after 6 iterations. iteration 1436: trace = 2.412629747784376 (5.8324e-10% change) linmin: converged after 3 iterations. iteration 1437: trace = 2.412629747764643 (8.17909e-10% change) linmin: converged after 6 iterations. iteration 1438: trace = 2.412629747760028 (1.91247e-10% change) large trace change predicted (1.41585e-09%) linmin: converged after 5 iterations. iteration 1439: trace = 2.412629747725869 (1.41586e-09% change) linmin: converged after 7 iterations. iteration 1440: trace = 2.412629747707911 (7.44318e-10% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.412629747684258 (9.80404e-10% change) linmin: converged after 15 iterations. iteration 1442: trace = 2.412629747655675 (1.18474e-09% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.412629747617522 (1.58139e-09% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.412629747607043 (4.34328e-10% change) large trace change predicted (1.06005e-09%) linmin: converged after 15 iterations. iteration 1445: trace = 2.412629747581468 (1.06005e-09% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629747567704 (5.70484e-10% change) linmin: converged after 22 iterations. iteration 1447: trace = 2.412629747558015 (4.01601e-10% change) linmin: converged after 7 iterations. iteration 1448: trace = 2.412629747551829 (2.56389e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.412629747544262 (3.13634e-10% change) linmin: converged after 6 iterations. iteration 1450: trace = 2.412629747539715 (1.88468e-10% change) large trace change predicted (4.48538e-10%) linmin: converged after 2 iterations. iteration 1451: trace = 2.412629747528893 (4.48557e-10% change) linmin: converged after 4 iterations. iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 11.149043321609497 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507714551633548 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.48527977029592 (0.89865% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301122559681 (0.483148% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539232112235 (0.0712618% change) large trace change predicted (0.219366%) linmin: converged after 3 iterations. iteration 5: trace = 2.466060133847849 (0.221934% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464718420203901 (0.054422% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463636719395522 (0.043897% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594065362243 (0.0423307% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462287934541995 (0.012432% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461753185618692 (0.0217199% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461485402974851 (0.0108783% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461341152138847 (0.00586049% change) large trace change predicted (0.012983%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021024881487 (0.0130071% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940680168531 (0.00326474% change) large trace change predicted (0.00700935%) linmin: converged after 4 iterations. iteration 15: trace = 2.460768388846517 (0.00700128% change) linmin: converged after 4 iterations. iteration 16: trace = 2.46065647507257 (0.00454802% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572010614669 (0.00343266% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460447819716967 (0.00504736% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460370644233083 (0.00313669% change) large trace change predicted (0.00795705%) linmin: converged after 3 iterations. iteration 20: trace = 2.46017460068774 (0.00796837% change) linmin: converged after 3 iterations. iteration 21: trace = 2.45992055593473 (0.0103268% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459713842813738 (0.0084036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459366490491965 (0.0141227% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092658308015 (0.0111349% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458659817174203 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458376746196281 (0.0115139% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263627508388 (0.00460146% change) large trace change predicted (0.0113346%) linmin: converged after 4 iterations. iteration 28: trace = 2.457987269830834 (0.0112426% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457775312008254 (0.0086236% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457672500730186 (0.00418319% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457501693309859 (0.00695021% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457365668694102 (0.00553523% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457317190344751 (0.0019728% change) large trace change predicted (0.00496167%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195706844922 (0.00494387% change) linmin: converged after 4 iterations. iteration 35: trace = 2.45714422432063 (0.0020952% change) linmin: converged after 4 iterations. iteration 36: trace = 2.45708219454866 (0.0025245% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026720594834 (0.00225774% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456984567037049 (0.00171565% change) linmin: converged after 15 iterations. iteration 39: trace = 2.456939445048623 (0.0018365% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456869640059288 (0.00284118% change) linmin: converged after 3 iterations. iteration 41: trace = 2.456833157655992 (0.00148493% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456763705423465 (0.00282694% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456634692545203 (0.00525147% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456572871950935 (0.00251651% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461041145713 (0.00455241% change) large trace change predicted (0.00975498%) linmin: converged after 4 iterations. iteration 46: trace = 2.456218757351032 (0.00986361% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161867025414 (0.0023162% change) large trace change predicted (0.0100925%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911103666164 (0.0102101% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455767110949883 (0.00586328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455708319050391 (0.00239406% change) large trace change predicted (0.00907578%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484719350746 (0.00910572% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407549209439 (0.00314282% change) linmin: converged after 13 iterations. iteration 53: trace = 2.45534593290585 (0.00250944% change) large trace change predicted (0.0050887%) linmin: converged after 3 iterations. iteration 54: trace = 2.455220696591177 (0.00510069% change) linmin: converged after 4 iterations. iteration 55: trace = 2.455180284408074 (0.00164598% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132997929369 (0.00192601% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455083906425762 (0.00199957% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455066887770354 (0.000693203% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455040101706986 (0.00109106% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008609947706 (0.00128275% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454995317181518 (0.000541456% change) large trace change predicted (0.00171729%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953090393324 (0.00172005% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454877422579907 (0.0030823% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454855121962825 (0.000908425% change) large trace change predicted (0.00569416%) linmin: converged after 4 iterations. iteration 65: trace = 2.454715532943804 (0.0056864% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454625694251667 (0.00365991% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457607775767 (0.00202137% change) large trace change predicted (0.0062662%) linmin: converged after 4 iterations. iteration 68: trace = 2.454422750902177 (0.00624677% change) linmin: converged after 4 iterations. iteration 69: trace = 2.454354229883569 (0.00279178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327706739201 (0.00108066% change) linmin: converged after 5 iterations. iteration 71: trace = 2.454278091582933 (0.00202156% change) linmin: converged after 3 iterations. iteration 72: trace = 2.45424373064204 (0.00140005% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454222970770071 (0.00084588% change) linmin: converged after 4 iterations. iteration 74: trace = 2.454185533507981 (0.00152543% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454171305226925 (0.000579757% change) linmin: converged after 3 iterations. iteration 76: trace = 2.45415334717542 (0.000731739% change) linmin: converged after 3 iterations. iteration 77: trace = 2.45413605986308 (0.000704413% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128426043217 (0.00031106% change) linmin: converged after 3 iterations. iteration 79: trace = 2.454117302998195 (0.000453239% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454101532760824 (0.000642605% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096037606968 (0.000223917% change) large trace change predicted (0.000569323%) linmin: converged after 3 iterations. iteration 82: trace = 2.454082067399763 (0.000569262% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062987198802 (0.000777491% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454051739425085 (0.000458334% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031604529348 (0.000820479% change) linmin: converged after 17 iterations. iteration 86: trace = 2.454004746007284 (0.00109447% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991995852274 (0.000519567% change) large trace change predicted (0.00138546%) linmin: converged after 4 iterations. iteration 88: trace = 2.453958007958718 (0.00138501% change) linmin: converged after 7 iterations. iteration 89: trace = 2.453919475118923 (0.00157024% change) linmin: converged after 4 iterations. iteration 90: trace = 2.45389509654625 (0.000993459% change) linmin: converged after 5 iterations. iteration 91: trace = 2.453860912196914 (0.00139307% change) linmin: converged after 8 iterations. iteration 92: trace = 2.453828045147867 (0.00133941% change) linmin: converged after 3 iterations. iteration 93: trace = 2.45382085605784 (0.000292975% change) large trace change predicted (0.00127944%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789463063369 (0.00127936% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782532229236 (0.000282455% change) large trace change predicted (0.000822373%) linmin: converged after 4 iterations. iteration 96: trace = 2.453762367988812 (0.000821765% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746815140803 (0.000633839% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453734287686709 (0.000510545% change) linmin: converged after 13 iterations. iteration 99: trace = 2.453728236162154 (0.000246625% change) large trace change predicted (0.000526958%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715304161855 (0.000527036% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453709000793436 (0.000256891% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701670772158 (0.000298733% change) large trace change predicted (0.000652204%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685674496181 (0.000651926% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674834695103 (0.000441777% change) large trace change predicted (0.000946993%) linmin: converged after 4 iterations. iteration 105: trace = 2.453651609675684 (0.000946545% change) large trace change predicted (0.00211292%) linmin: converged after 3 iterations. iteration 106: trace = 2.45359960969257 (0.00211931% change) linmin: converged after 5 iterations. iteration 107: trace = 2.45358312717749 (0.000671771% change) large trace change predicted (0.00179328%) linmin: converged after 3 iterations. iteration 108: trace = 2.453538953603838 (0.00180039% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478212583598 (0.00247568% change) linmin: converged after 3 iterations. iteration 110: trace = 2.453465057397219 (0.000536187% change) large trace change predicted (0.00221868%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410536309189 (0.00222223% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453386131071423 (0.000994752% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376698178058 (0.000384485% change) large trace change predicted (0.00113233%) linmin: converged after 3 iterations. iteration 114: trace = 2.453348916706636 (0.00113238% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338668721301 (0.000417715% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332850971714 (0.00041409% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315900344541 (0.000513971% change) linmin: converged after 5 iterations. iteration 118: trace = 2.453302028512225 (0.000565434% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296318097463 (0.000232765% change) large trace change predicted (0.000597339%) linmin: converged after 3 iterations. iteration 120: trace = 2.453281660805391 (0.000597455% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275733121448 (0.000241623% change) linmin: converged after 3 iterations. iteration 122: trace = 2.453264048572746 (0.000476285% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247330884551 (0.000681449% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453237120368956 (0.000416205% change) large trace change predicted (0.00104381%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211463999542 (0.00104582% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453162178756833 (0.00200903% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453138441524889 (0.000967622% change) large trace change predicted (0.00310521%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061970998888 (0.0031173% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970240929354 (0.00373948% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952080637691 (0.000740342% change) linmin: converged after 4 iterations. iteration 131: trace = 2.452919428590261 (0.00133114% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289691913365 (0.000917664% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890157235454 (0.00027567% change) large trace change predicted (0.00125961%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859246188432 (0.0012602% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842821226226 (0.000669627% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452828921086942 (0.000566697% change) linmin: converged after 6 iterations. iteration 137: trace = 2.452814395156807 (0.000592213% change) linmin: converged after 11 iterations. iteration 138: trace = 2.452798068000915 (0.000665652% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783009252627 (0.000613944% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.452772927790512 (0.000411022% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765649094527 (0.000296754% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757495527033 (0.000332424% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452750554577612 (0.000282986% change) linmin: converged after 5 iterations. iteration 144: trace = 2.452740327764536 (0.000416954% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727668231187 (0.00051614% change) linmin: converged after 6 iterations. iteration 146: trace = 2.452721604178562 (0.000247237% change) large trace change predicted (0.000693753%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704589129357 (0.000693724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452684248854568 (0.000829303% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267614319453 (0.000330482% change) large trace change predicted (0.000964309%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652549290144 (0.00096197% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626803415319 (0.00104972% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452616705048951 (0.000411738% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596980902835 (0.000804211% change) linmin: converged after 9 iterations. iteration 154: trace = 2.452583108816331 (0.00056561% change) linmin: converged after 20 iterations. iteration 155: trace = 2.452578304129146 (0.000195903% change) linmin: converged after 4 iterations. iteration 156: trace = 2.45256876674269 (0.000388873% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452560262649758 (0.000346743% change) linmin: converged after 3 iterations. iteration 158: trace = 2.452558275638176 (8.10179e-05% change) large trace change predicted (0.000299932%) linmin: converged after 3 iterations. iteration 159: trace = 2.452550921985148 (0.000299836% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546610102247 (0.000175812% change) linmin: converged after 4 iterations. iteration 161: trace = 2.452544820292672 (7.29776e-05% change) large trace change predicted (0.000200659%) linmin: converged after 3 iterations. iteration 162: trace = 2.452539898709751 (0.000200673% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452536610230977 (0.000134085% change) linmin: converged after 3 iterations. iteration 164: trace = 2.452531722835503 (0.000199279% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526119860102 (0.000228457% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452518763737087 (0.000299941% change) linmin: converged after 7 iterations. iteration 167: trace = 2.452513062704793 (0.000232456% change) large trace change predicted (0.000772359%) linmin: converged after 3 iterations. iteration 168: trace = 2.452494092222757 (0.000773515% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452489305340419 (0.000195184% change) large trace change predicted (0.000667115%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472924104565 (0.000667945% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452456769929521 (0.000658691% change) linmin: converged after 3 iterations. iteration 172: trace = 2.45245074264355 (0.000245766% change) large trace change predicted (0.00062741%) linmin: converged after 3 iterations. iteration 173: trace = 2.452435341557268 (0.00062799% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422726674879 (0.000514383% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452419119529659 (0.000147085% change) large trace change predicted (0.000389908%) linmin: converged after 5 iterations. iteration 176: trace = 2.452409555498929 (0.000389984% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400310371281 (0.000376982% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397904127026 (9.8118e-05% change) large trace change predicted (0.000258068%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391574551021 (0.000258098% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387378243408 (0.000171111% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452386157536499 (4.97763e-05% change) large trace change predicted (0.000181182%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381714103697 (0.000181188% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452377832663401 (0.000158272% change) linmin: converged after 2 iterations. iteration 184: trace = 2.452376974923948 (3.49758e-05% change) large trace change predicted (0.000153338%) linmin: converged after 3 iterations. iteration 185: trace = 2.452373214647471 (0.000153332% change) linmin: converged after 12 iterations. iteration 186: trace = 2.452368906581191 (0.000175669% change) linmin: converged after 5 iterations. iteration 187: trace = 2.452367047636557 (7.5802e-05% change) large trace change predicted (0.000415294%) linmin: converged after 4 iterations. iteration 188: trace = 2.452356864268545 (0.000415247% change) linmin: converged after 5 iterations. iteration 189: trace = 2.452348944393626 (0.00032295% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452345788864918 (0.000128674% change) large trace change predicted (0.000553043%) linmin: converged after 6 iterations. iteration 191: trace = 2.45233223540891 (0.000552675% change) linmin: converged after 3 iterations. iteration 192: trace = 2.452324837424832 (0.000301672% change) linmin: converged after 3 iterations. iteration 193: trace = 2.452318319053605 (0.000265804% change) linmin: converged after 3 iterations. iteration 194: trace = 2.45231070137328 (0.000310632% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452305458110806 (0.000213809% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300587509159 (0.000198613% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452294091542742 (0.000264893% change) linmin: converged after 4 iterations. iteration 198: trace = 2.452292912070035 (4.80967e-05% change) large trace change predicted (0.000207507%) linmin: converged after 3 iterations. iteration 199: trace = 2.452287823960394 (0.000207484% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285260995919 (0.000104513% change) linmin: converged after 4 iterations. iteration 201: trace = 2.4522837884962 (6.0046e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.452281464401078 (9.47727e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.45227843727108 (0.000123441% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452277298708132 (4.64288e-05% change) large trace change predicted (0.000105064%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274721714739 (0.000105086% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269795239167 (0.000200894% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452267937130898 (7.5771e-05% change) large trace change predicted (0.000293161%) linmin: converged after 3 iterations. iteration 208: trace = 2.45226074358603 (0.000293343% change) linmin: converged after 3 iterations. iteration 209: trace = 2.452249802005526 (0.000446184% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452245457700151 (0.000177156% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452238289401174 (0.000292316% change) linmin: converged after 4 iterations. iteration 212: trace = 2.452234390465577 (0.000158995% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452232924507626 (5.97805e-05% change) large trace change predicted (0.000175069%) linmin: converged after 4 iterations. iteration 214: trace = 2.45222863148775 (0.000175066% change) linmin: converged after 5 iterations. iteration 215: trace = 2.452226721219942 (7.78993e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.45222534804256 (5.59972e-05% change) linmin: converged after 9 iterations. iteration 217: trace = 2.452222868519007 (0.000101113% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452220762859493 (8.58674e-05% change) linmin: converged after 7 iterations. iteration 219: trace = 2.452219636720598 (4.59232e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452217637205398 (8.1539e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452214951097599 (0.000109538% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452213930282483 (4.16283e-05% change) large trace change predicted (0.000173197%) linmin: converged after 3 iterations. iteration 223: trace = 2.452209680537733 (0.000173303% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452207756844769 (7.84474e-05% change) large trace change predicted (0.000170329%) linmin: converged after 4 iterations. iteration 225: trace = 2.452203577183352 (0.000170445% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452199205407226 (0.00017828% change) linmin: converged after 14 iterations. iteration 227: trace = 2.452195167792297 (0.000164653% change) linmin: converged after 3 iterations. iteration 228: trace = 2.45219226877402 (0.000118221% change) large trace change predicted (0.000333656%) linmin: converged after 5 iterations. iteration 229: trace = 2.452184081873663 (0.000333861% change) linmin: converged after 4 iterations. iteration 230: trace = 2.452181174446548 (0.000118565% change) linmin: converged after 3 iterations. iteration 231: trace = 2.45217666841967 (0.000183756% change) linmin: converged after 13 iterations. iteration 232: trace = 2.452169564390597 (0.000289703% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452168023595653 (6.2834e-05% change) large trace change predicted (0.000128892%) linmin: converged after 3 iterations. iteration 234: trace = 2.452164861203628 (0.000128963% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452162710524145 (8.77054e-05% change) linmin: converged after 13 iterations. iteration 236: trace = 2.452161604180763 (4.51171e-05% change) large trace change predicted (9.08194e-05%) linmin: converged after 3 iterations. iteration 237: trace = 2.452159376422024 (9.08488e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452156221407155 (0.000128663% change) linmin: converged after 4 iterations. iteration 239: trace = 2.452155384533807 (3.41281e-05% change) large trace change predicted (9.34824e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.452153091713957 (9.35023e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.452150426821385 (0.000108676% change) linmin: converged after 3 iterations. iteration 242: trace = 2.452149526342722 (3.6722e-05% change) large trace change predicted (0.000149021%) linmin: converged after 3 iterations. iteration 243: trace = 2.452145872560898 (0.000149003% change) linmin: converged after 5 iterations. iteration 244: trace = 2.45214298620249 (0.000117708% change) linmin: converged after 4 iterations. iteration 245: trace = 2.452141482734362 (6.13124e-05% change) large trace change predicted (0.00022647%) linmin: converged after 5 iterations. iteration 246: trace = 2.452135931910722 (0.000226367% change) linmin: converged after 4 iterations. iteration 247: trace = 2.452127131915843 (0.000358871% change) linmin: converged after 3 iterations. iteration 248: trace = 2.452124408591246 (0.00011106% change) large trace change predicted (0.000415328%) linmin: converged after 6 iterations. iteration 249: trace = 2.452114234002913 (0.00041493% change) linmin: converged after 3 iterations. iteration 250: trace = 2.452107914802179 (0.000257705% change) linmin: converged after 6 iterations. iteration 251: trace = 2.452104602178825 (0.000135093% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452098395005796 (0.000253137% change) linmin: converged after 3 iterations. iteration 253: trace = 2.45209443064365 (0.000161672% change) linmin: converged after 3 iterations. iteration 254: trace = 2.452092772278772 (6.76306e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.452090136890444 (0.000107475% change) linmin: converged after 3 iterations. iteration 256: trace = 2.452088641061405 (6.10022e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.452087588706631 (4.29167e-05% change) large trace change predicted (8.8259e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.452085424452013 (8.82618e-05% change) linmin: converged after 10 iterations. iteration 259: trace = 2.452084439140825 (4.01826e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.452083425783212 (4.13264e-05% change) large trace change predicted (0.000113263%) linmin: converged after 3 iterations. iteration 261: trace = 2.452080648183233 (0.000113275% change) linmin: converged after 3 iterations. iteration 262: trace = 2.4520794724905 (4.79468e-05% change) large trace change predicted (0.000152164%) linmin: converged after 3 iterations. iteration 263: trace = 2.452075740472779 (0.000152198% change) linmin: converged after 4 iterations. iteration 264: trace = 2.45207119873577 (0.00018522% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452068341076811 (0.000116541% change) linmin: converged after 4 iterations. iteration 266: trace = 2.452065201190418 (0.000128051% change) large trace change predicted (0.00034389%) linmin: converged after 3 iterations. iteration 267: trace = 2.452056759774224 (0.000344258% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452053194509233 (0.000145399% change) linmin: converged after 4 iterations. iteration 269: trace = 2.452047723607067 (0.000223115% change) linmin: converged after 5 iterations. iteration 270: trace = 2.452038853922894 (0.000361726% change) linmin: converged after 13 iterations. iteration 271: trace = 2.4520373990617 (5.93327e-05% change) large trace change predicted (0.000248269%) linmin: converged after 3 iterations. iteration 272: trace = 2.452031304744767 (0.000248541% change) linmin: converged after 4 iterations. iteration 273: trace = 2.452027971885439 (0.000135922% change) linmin: converged after 3 iterations. iteration 274: trace = 2.45202680788906 (4.74708e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452024540324916 (9.24772e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.45202209499959 (9.97268e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452021538766743 (2.26847e-05% change) large trace change predicted (0.000116655%) linmin: converged after 4 iterations. iteration 278: trace = 2.452018677919659 (0.000116673% change) linmin: converged after 3 iterations. iteration 279: trace = 2.452014190357183 (0.000183015% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.45201075481463 (0.000140111% change) linmin: converged after 2 iterations. iteration 281: trace = 2.452008901592415 (7.55797e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452007292555813 (6.56212e-05% change) linmin: converged after 5 iterations. iteration 283: trace = 2.452006558444449 (2.99392e-05% change) large trace change predicted (9.44662e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.452004242936367 (9.44332e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.452003286760036 (3.89957e-05% change) large trace change predicted (7.91395e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452001347150246 (7.91031e-05% change) large trace change predicted (0.000166942%) linmin: converged after 4 iterations. iteration 287: trace = 2.451997258366128 (0.000166753% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995532160505 (7.04e-05% change) large trace change predicted (0.000147482%) linmin: converged after 4 iterations. iteration 289: trace = 2.451991921852341 (0.00014724% change) linmin: converged after 3 iterations. iteration 290: trace = 2.451986673104741 (0.000214061% change) linmin: converged after 27 iterations. iteration 291: trace = 2.451984254947535 (9.86204e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.4519805314833 (0.000151855% change) linmin: converged after 4 iterations. iteration 293: trace = 2.45197502893073 (0.000224413% change) linmin: converged after 4 iterations. iteration 294: trace = 2.451974197928204 (3.38912e-05% change) large trace change predicted (0.000134969%) linmin: converged after 3 iterations. iteration 295: trace = 2.451970890075463 (0.000134906% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451969462637186 (5.8216e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451968793048388 (2.73082e-05% change) large trace change predicted (7.04748e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.451967065141929 (7.04702e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451965799783021 (5.16059e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.451965354926958 (1.81428e-05% change) large trace change predicted (4.14451e-05%) linmin: converged after 4 iterations. iteration 301: trace = 2.451964338537992 (4.1452e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.451963626062085 (2.90574e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.45196286090635 (3.12058e-05% change) large trace change predicted (7.04866e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451961132076766 (7.0508e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451960060694344 (4.36949e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.45195929368572 (3.12815e-05% change) large trace change predicted (0.000111025%) linmin: converged after 3 iterations. iteration 307: trace = 2.451956570051481 (0.00011108% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953818305342 (0.000112227% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451951653626621 (8.82839e-05% change) large trace change predicted (0.000184665%) linmin: converged after 4 iterations. iteration 310: trace = 2.451947121582508 (0.000184834% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945166011394 (7.97559e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451942435218912 (0.000111373% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939405208457 (0.000123576% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938634410761 (3.14363e-05% change) large trace change predicted (7.13993e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936883520887 (7.14084e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935333125655 (6.32315e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934772183667 (2.28775e-05% change) large trace change predicted (5.68182e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.45193337891416 (5.68233e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.451932197398721 (4.81871e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.451931697025995 (2.04073e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451931013561718 (2.78745e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451930073490786 (3.834e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.4519298008317 (1.11202e-05% change) large trace change predicted (4.21488e-05%) linmin: converged after 3 iterations. iteration 324: trace = 2.451928767419563 (4.21469e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.451927902052323 (3.52933e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451927460932055 (1.79908e-05% change) large trace change predicted (5.36764e-05%) linmin: converged after 4 iterations. iteration 327: trace = 2.451926145023389 (5.36684e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924454118065 (6.89624e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.45192343736788 (4.14674e-05% change) large trace change predicted (8.71433e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.45192130196901 (8.70908e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.451918670153966 (0.000107337% change) linmin: converged after 4 iterations. iteration 332: trace = 2.45191779130337 (3.58434e-05% change) large trace change predicted (9.23841e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915526678028 (9.23614e-05% change) linmin: converged after 3 iterations. iteration 334: trace = 2.451914426183707 (4.48831e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451913409272041 (4.14742e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.451912256784357 (4.70036e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451911186131378 (4.3666e-05% change) linmin: converged after 2 iterations. iteration 338: trace = 2.451910850466922 (1.36899e-05% change) large trace change predicted (3.93869e-05%) linmin: converged after 4 iterations. iteration 339: trace = 2.451909884741904 (3.93866e-05% change) linmin: converged after 3 iterations. iteration 340: trace = 2.45190963707967 (1.01008e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.451909148391919 (1.99309e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.45190827063069 (3.57991e-05% change) linmin: converged after 7 iterations. iteration 343: trace = 2.451908059504865 (8.61067e-06% change) large trace change predicted (2.6893e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907399998265 (2.68977e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906785418745 (2.50654e-05% change) linmin: converged after 2 iterations. iteration 346: trace = 2.451906437789964 (1.41779e-05% change) large trace change predicted (5.58343e-05%) linmin: converged after 3 iterations. iteration 347: trace = 2.451905068455477 (5.58478e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903121715061 (7.93971e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902337095938 (3.20004e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901626083527 (2.89984e-05% change) large trace change predicted (6.42866e-05%) linmin: converged after 3 iterations. iteration 351: trace = 2.451900049769866 (6.42895e-05% change) linmin: converged after 2 iterations. iteration 352: trace = 2.451899136573584 (3.72444e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.451898736850383 (1.63026e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.451897946694063 (3.22263e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.45189747184642 (1.93665e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451897220646099 (1.02451e-05% change) large trace change predicted (2.44861e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896620201119 (2.4489e-05% change) linmin: converged after 3 iterations. iteration 358: trace = 2.451896058080836 (2.29259e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.451895837264319 (9.00595e-06% change) large trace change predicted (2.84087e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.451895140561287 (2.84149e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.45189474102638 (1.62949e-05% change) linmin: converged after 2 iterations. iteration 362: trace = 2.451894419082622 (1.31304e-05% change) large trace change predicted (3.94816e-05%) linmin: converged after 5 iterations. iteration 363: trace = 2.451893450703638 (3.94951e-05% change) linmin: converged after 4 iterations. iteration 364: trace = 2.451892570126811 (3.59142e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.45189181747914 (3.06966e-05% change) large trace change predicted (6.43709e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890238485002 (6.4399e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889616372384 (2.53728e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.45188877755701 (3.4211e-05% change) large trace change predicted (8.5513e-05%) linmin: converged after 4 iterations. iteration 369: trace = 2.451886679515175 (8.55684e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885786404943 (3.64254e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451884655995135 (4.61037e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451883546120951 (4.52662e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.451883232411078 (1.27946e-05% change) large trace change predicted (3.61962e-05%) linmin: converged after 4 iterations. iteration 374: trace = 2.451882344780096 (3.6202e-05% change) linmin: converged after 2 iterations. iteration 375: trace = 2.451881779695219 (2.3047e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881401859591 (1.541e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881173998864 (9.2933e-06% change) large trace change predicted (3.17815e-05%) linmin: converged after 5 iterations. iteration 378: trace = 2.451880394664437 (3.17852e-05% change) linmin: converged after 2 iterations. iteration 379: trace = 2.45187989190943 (2.05049e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451879518512381 (1.5229e-05% change) linmin: converged after 3 iterations. iteration 381: trace = 2.45187880705943 (2.90166e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878318476758 (1.99269e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877773854073 (2.22125e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.451876824144952 (3.8734e-05% change) linmin: converged after 3 iterations. iteration 385: trace = 2.451876293493401 (2.16427e-05% change) linmin: converged after 8 iterations. iteration 386: trace = 2.451875369938492 (3.76673e-05% change) large trace change predicted (7.75821e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.451873468799276 (7.75382e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451872590224089 (3.58328e-05% change) large trace change predicted (9.50571e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.4518702615096 (9.4977e-05% change) linmin: converged after 5 iterations. iteration 390: trace = 2.451868461088069 (7.34306e-05% change) linmin: converged after 5 iterations. iteration 391: trace = 2.451867700627981 (3.10155e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866708220177 (4.04756e-05% change) linmin: converged after 3 iterations. iteration 393: trace = 2.451865652586429 (4.30543e-05% change) linmin: converged after 2 iterations. iteration 394: trace = 2.451865445386099 (8.45072e-06% change) large trace change predicted (2.50549e-05%) linmin: converged after 3 iterations. iteration 395: trace = 2.451864831127395 (2.50527e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864349760831 (1.96327e-05% change) linmin: converged after 26 iterations. iteration 397: trace = 2.451864235719919 (4.65119e-06% change) large trace change predicted (2.47964e-05%) linmin: converged after 4 iterations. iteration 398: trace = 2.451863627785021 (2.47948e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863327607461 (1.22428e-05% change) linmin: converged after 3 iterations. iteration 400: trace = 2.451862913876871 (1.68741e-05% change) linmin: converged after 4 iterations. iteration 401: trace = 2.451862423737383 (1.99905e-05% change) linmin: converged after 4 iterations. iteration 402: trace = 2.451862008156571 (1.69496e-05% change) linmin: converged after 3 iterations. iteration 403: trace = 2.451861297761305 (2.89737e-05% change) large trace change predicted (6.03586e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451859816778514 (6.04024e-05% change) linmin: converged after 5 iterations. iteration 405: trace = 2.451858559069839 (5.12961e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.451857891199748 (2.72393e-05% change) large trace change predicted (6.38229e-05%) linmin: converged after 3 iterations. iteration 407: trace = 2.45185632544231 (6.38601e-05% change) linmin: converged after 4 iterations. iteration 408: trace = 2.451854711796361 (6.58133e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.45185402817143 (2.7882e-05% change) large trace change predicted (6.46259e-05%) linmin: converged after 3 iterations. iteration 410: trace = 2.451852442859669 (6.46577e-05% change) linmin: converged after 4 iterations. iteration 411: trace = 2.451851775392176 (2.7223e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451851127465782 (2.6426e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451850087175804 (4.24288e-05% change) linmin: converged after 9 iterations. iteration 414: trace = 2.451849911033916 (7.18404e-06% change) large trace change predicted (2.51613e-05%) linmin: converged after 4 iterations. iteration 415: trace = 2.451849293949703 (2.51681e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.451848943707893 (1.42848e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.451848710098085 (9.5279e-06% change) large trace change predicted (2.10239e-05%) linmin: converged after 3 iterations. iteration 418: trace = 2.45184819456945 (2.10261e-05% change) large trace change predicted (0.000188518%) linmin: converged after 3 iterations. iteration 419: trace = 2.451843571620683 (0.00018855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451841487273947 (8.50114e-05% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451839976121697 (6.16334e-05% change) linmin: converged after 3 iterations. iteration 422: trace = 2.451839314114376 (2.70004e-05% change) linmin: converged after 4 iterations. iteration 423: trace = 2.451839054914111 (1.05717e-05% change) linmin: converged after 3 iterations. iteration 424: trace = 2.451838742425517 (1.27451e-05% change) linmin: converged after 7 iterations. iteration 425: trace = 2.451838400153158 (1.39598e-05% change) linmin: converged after 3 iterations. iteration 426: trace = 2.451838201057432 (8.12026e-06% change) large trace change predicted (2.04897e-05%) linmin: converged after 3 iterations. iteration 427: trace = 2.451837698796881 (2.04851e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.451837481919144 (8.84552e-06% change) large trace change predicted (3.05073e-05%) linmin: converged after 4 iterations. iteration 429: trace = 2.451836734163764 (3.04978e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451835936235739 (3.25441e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451835185942234 (3.06013e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451834525078679 (2.69538e-05% change) large trace change predicted (5.9575e-05%) linmin: converged after 3 iterations. iteration 433: trace = 2.451833065357541 (5.95359e-05% change) linmin: converged after 8 iterations. iteration 434: trace = 2.451832734050241 (1.35126e-05% change) linmin: converged after 3 iterations. iteration 435: trace = 2.451832149791729 (2.38295e-05% change) linmin: converged after 4 iterations. iteration 436: trace = 2.451831313054189 (3.4127e-05% change) linmin: converged after 3 iterations. iteration 437: trace = 2.451831144753733 (6.86428e-06% change) large trace change predicted (1.89495e-05%) linmin: converged after 4 iterations. iteration 438: trace = 2.451830680221672 (1.89463e-05% change) linmin: converged after 3 iterations. iteration 439: trace = 2.451830279374053 (1.63489e-05% change) linmin: converged after 4 iterations. iteration 440: trace = 2.451829954213735 (1.32619e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451829747917543 (8.41397e-06% change) linmin: converged after 8 iterations. iteration 442: trace = 2.45182942913199 (1.30019e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451829344579854 (3.44853e-06% change) large trace change predicted (1.20307e-05%) linmin: converged after 6 iterations. iteration 444: trace = 2.451829049585355 (1.20316e-05% change) linmin: converged after 4 iterations. iteration 445: trace = 2.45182882275353 (9.25154e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.451828710478946 (4.57922e-06% change) large trace change predicted (1.8046e-05%) linmin: converged after 4 iterations. iteration 447: trace = 2.451828267951997 (1.80489e-05% change) linmin: converged after 4 iterations. iteration 448: trace = 2.451827859086309 (1.6676e-05% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451827704537776 (6.3034e-06% change) large trace change predicted (2.59966e-05%) linmin: converged after 4 iterations. iteration 450: trace = 2.451827067038046 (2.6001e-05% change) linmin: converged after 4 iterations. iteration 451: trace = 2.451826123510454 (3.84826e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451825857654383 (1.08432e-05% change) large trace change predicted (4.34736e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.45182479109769 (4.35005e-05% change) linmin: converged after 4 iterations. iteration 454: trace = 2.45182429282768 (2.03224e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451824028134613 (1.07958e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451823712849073 (1.28592e-05% change) linmin: converged after 4 iterations. iteration 457: trace = 2.451823254502712 (1.86941e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451823062649151 (7.82493e-06% change) large trace change predicted (1.64623e-05%) linmin: converged after 3 iterations. iteration 459: trace = 2.451822658887967 (1.64678e-05% change) linmin: converged after 2 iterations. iteration 460: trace = 2.451822526439577 (5.40204e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.451822336459144 (7.74854e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451822084284924 (1.02852e-05% change) linmin: converged after 3 iterations. iteration 463: trace = 2.451822011646269 (2.96264e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.451821904237058 (4.38079e-06% change) linmin: converged after 2 iterations. iteration 465: trace = 2.451821699544684 (8.34858e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451821547178686 (6.2144e-06% change) linmin: converged after 6 iterations. iteration 467: trace = 2.451821376475728 (6.96229e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.451821040671764 (1.36961e-05% change) linmin: converged after 3 iterations. iteration 469: trace = 2.45182080693343 (9.53325e-06% change) linmin: converged after 4 iterations. iteration 470: trace = 2.4518205215002 (1.16417e-05% change) large trace change predicted (2.63546e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.45181987548071 (2.63486e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451819408860605 (1.90316e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451819126855167 (1.15019e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451818658754745 (1.9092e-05% change) linmin: converged after 5 iterations. iteration 475: trace = 2.451818394563479 (1.07753e-05% change) linmin: converged after 18 iterations. iteration 476: trace = 2.451818116179429 (1.13542e-05% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451817781654802 (1.36439e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451817681110296 (4.10081e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451817552578524 (5.24231e-06% change) linmin: converged after 19 iterations. iteration 480: trace = 2.451817332535152 (8.9747e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451817297043988 (1.44755e-06% change) large trace change predicted (8.02481e-06%) linmin: converged after 2 iterations. iteration 482: trace = 2.451817100288909 (8.02487e-06% change) linmin: converged after 7 iterations. iteration 483: trace = 2.451816974162871 (5.14419e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.451816925474987 (1.98579e-06% change) large trace change predicted (5.20292e-06%) linmin: converged after 2 iterations. iteration 485: trace = 2.45181679790735 (5.20298e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.451816582759446 (8.77504e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.451816497251044 (3.48755e-06% change) large trace change predicted (9.35672e-06%) linmin: converged after 18 iterations. iteration 488: trace = 2.451816267845393 (9.35656e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.451815875725539 (1.5993e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.451815757819901 (4.80891e-06% change) large trace change predicted (1.10512e-05%) linmin: converged after 2 iterations. iteration 491: trace = 2.451815486861406 (1.10513e-05% change) linmin: converged after 3 iterations. iteration 492: trace = 2.451815280756068 (8.40623e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.451815194923169 (3.50079e-06% change) large trace change predicted (7.35121e-06%) linmin: converged after 7 iterations. iteration 494: trace = 2.451815014697793 (7.35069e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451814894361656 (4.90804e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451814850871355 (1.7738e-06% change) large trace change predicted (4.50328e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.45181474045643 (4.5034e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.451814610526366 (5.29934e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.451814567841736 (1.74094e-06% change) large trace change predicted (6.83787e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.451814400186214 (6.83802e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.451814272915252 (5.19089e-06% change) linmin: converged after 2 iterations. iteration 502: trace = 2.45181419266202 (3.27322e-06% change) large trace change predicted (8.56711e-06%) linmin: converged after 24 iterations. iteration 503: trace = 2.45181398260356 (8.56747e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.451813704811319 (1.13301e-05% change) linmin: converged after 4 iterations. iteration 505: trace = 2.451813596654659 (4.41129e-06% change) large trace change predicted (1.8288e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451813148189388 (1.82912e-05% change) linmin: converged after 22 iterations. iteration 507: trace = 2.451812965690427 (7.44343e-06% change) linmin: converged after 2 iterations. iteration 508: trace = 2.451812761950807 (8.30975e-06% change) large trace change predicted (2.09791e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451812247462067 (2.0984e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451811966755929 (1.14489e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.451811851242338 (4.71136e-06% change) large trace change predicted (1.00995e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451811603602493 (1.01003e-05% change) linmin: converged after 5 iterations. iteration 513: trace = 2.451811507357846 (3.92545e-06% change) linmin: converged after 20 iterations. iteration 514: trace = 2.451811334433819 (7.05291e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.451811191640094 (5.82401e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.451811130732174 (2.4842e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451811047301646 (3.40281e-06% change) linmin: converged after 2 iterations. iteration 518: trace = 2.451810891815008 (6.34171e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.451810816631979 (3.06643e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451810695082755 (4.95753e-06% change) linmin: converged after 3 iterations. iteration 521: trace = 2.45181049319669 (8.23416e-06% change) linmin: converged after 3 iterations. iteration 522: trace = 2.451810268505231 (9.16431e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.45181019367532 (3.05203e-06% change) large trace change predicted (8.52331e-06%) linmin: converged after 3 iterations. iteration 524: trace = 2.451809984726808 (8.52221e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.451809780364004 (8.33518e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.451809671650246 (4.43402e-06% change) large trace change predicted (2.12798e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451809150137006 (2.12705e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.45180874197214 (1.66475e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451808417499351 (1.3234e-05% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451808030250102 (1.57944e-05% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451807807831868 (9.0716e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451807742759107 (2.65407e-06% change) large trace change predicted (9.27794e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.451807515300582 (9.27718e-06% change) linmin: converged after 6 iterations. iteration 534: trace = 2.451807415467064 (4.07183e-06% change) linmin: converged after 5 iterations. iteration 535: trace = 2.451807346960127 (2.79414e-06% change) large trace change predicted (5.71938e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451807206736129 (5.71921e-06% change) linmin: converged after 12 iterations. iteration 537: trace = 2.451807086805041 (4.89154e-06% change) linmin: converged after 8 iterations. iteration 538: trace = 2.451807031148672 (2.27001e-06% change) large trace change predicted (7.12219e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.451806856509571 (7.12287e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451806796843032 (2.43357e-06% change) large trace change predicted (6.7709e-06%) linmin: converged after 4 iterations. iteration 541: trace = 2.451806630809242 (6.7719e-06% change) linmin: converged after 5 iterations. iteration 542: trace = 2.451806452505993 (7.27232e-06% change) linmin: converged after 16 iterations. iteration 543: trace = 2.451806368758432 (3.41575e-06% change) large trace change predicted (1.23699e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451806065324214 (1.23759e-05% change) linmin: converged after 3 iterations. iteration 545: trace = 2.451805739861479 (1.32744e-05% change) linmin: converged after 5 iterations. iteration 546: trace = 2.451805601881059 (5.62771e-06% change) large trace change predicted (1.68905e-05%) linmin: converged after 3 iterations. iteration 547: trace = 2.451805187663824 (1.68944e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451804745230315 (1.80452e-05% change) linmin: converged after 3 iterations. iteration 549: trace = 2.451804599592704 (5.94002e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451804373046908 (9.23996e-06% change) linmin: converged after 3 iterations. iteration 551: trace = 2.451804158093567 (8.76715e-06% change) linmin: converged after 2 iterations. iteration 552: trace = 2.451804068334619 (3.66093e-06% change) linmin: converged after 3 iterations. iteration 553: trace = 2.451803927634026 (5.73866e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451803805504083 (4.98123e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451803760167925 (1.84909e-06% change) large trace change predicted (3.96563e-06%) linmin: converged after 4 iterations. iteration 556: trace = 2.451803662939658 (3.96558e-06% change) linmin: converged after 3 iterations. iteration 557: trace = 2.451803472511807 (7.76685e-06% change) linmin: converged after 3 iterations. iteration 558: trace = 2.451803406365509 (2.69786e-06% change) large trace change predicted (3.46964e-05%) linmin: converged after 3 iterations. iteration 559: trace = 2.451802555696506 (3.46957e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.451801982548152 (2.33766e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.451801906952554 (3.08327e-06% change) large trace change predicted (8.84622e-06%) linmin: converged after 8 iterations. iteration 562: trace = 2.451801690096094 (8.84478e-06% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451801613985753 (3.10426e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451801571639047 (1.72717e-06% change) large trace change predicted (5.19395e-06%) linmin: converged after 3 iterations. iteration 565: trace = 2.451801444315304 (5.19307e-06% change) linmin: converged after 23 iterations. iteration 566: trace = 2.451801359505677 (3.45907e-06% change) linmin: converged after 2 iterations. iteration 567: trace = 2.451801310782897 (1.98722e-06% change) large trace change predicted (8.99797e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.451801090196141 (8.99693e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451801002373334 (3.58197e-06% change) linmin: converged after 3 iterations. iteration 570: trace = 2.451800895528208 (4.35782e-06% change) large trace change predicted (9.24043e-06%) linmin: converged after 3 iterations. iteration 571: trace = 2.451800669005973 (9.23901e-06% change) linmin: converged after 3 iterations. iteration 572: trace = 2.451800475143845 (7.90693e-06% change) linmin: converged after 2 iterations. iteration 573: trace = 2.451800397611408 (3.16227e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451800250724628 (5.99098e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451800097856249 (6.23494e-06% change) linmin: converged after 4 iterations. iteration 576: trace = 2.451799981080339 (4.76286e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799778162104 (8.2763e-06% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451799650819622 (5.19384e-06% change) linmin: converged after 2 iterations. iteration 579: trace = 2.45179958082181 (2.85496e-06% change) large trace change predicted (7.39521e-06%) linmin: converged after 16 iterations. iteration 580: trace = 2.451799399541025 (7.39379e-06% change) linmin: converged after 2 iterations. iteration 581: trace = 2.451799337883764 (2.51478e-06% change) linmin: converged after 4 iterations. iteration 582: trace = 2.45179926618354 (2.92439e-06% change) linmin: converged after 7 iterations. iteration 583: trace = 2.451799194783086 (2.91217e-06% change) linmin: converged after 12 iterations. iteration 584: trace = 2.451799169243016 (1.04169e-06% change) linmin: converged after 8 iterations. iteration 585: trace = 2.451799126081373 (1.76041e-06% change) linmin: converged after 2 iterations. iteration 586: trace = 2.451799056584404 (2.83453e-06% change) linmin: converged after 5 iterations. iteration 587: trace = 2.451799037591654 (7.74645e-07% change) large trace change predicted (2.58954e-06%) linmin: converged after 3 iterations. iteration 588: trace = 2.451798974098954 (2.58964e-06% change) linmin: converged after 5 iterations. iteration 589: trace = 2.451798865056575 (4.44744e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.451798815752565 (2.01093e-06% change) large trace change predicted (6.75032e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.45179865020752 (6.75198e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451798392978084 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 593: trace = 2.451798341014076 (2.11942e-06% change) large trace change predicted (5.91559e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451798195958455 (5.9163e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.451798053437744 (5.81291e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451797948203541 (4.29212e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.451797812823868 (5.52165e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797667765789 (5.9164e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451797613208867 (2.22518e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451797573279094 (1.62859e-06% change) linmin: converged after 3 iterations. iteration 601: trace = 2.451797511405647 (2.5236e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.451797495827575 (6.35374e-07% change) linmin: converged after 22 iterations. iteration 603: trace = 2.451797468701521 (1.10637e-06% change) linmin: converged after 2 iterations. iteration 604: trace = 2.451797425297661 (1.77029e-06% change) linmin: converged after 16 iterations. iteration 605: trace = 2.451797413176967 (4.9436e-07% change) large trace change predicted (2.21362e-06%) linmin: converged after 22 iterations. iteration 606: trace = 2.451797358904964 (2.21356e-06% change) linmin: converged after 11 iterations. iteration 607: trace = 2.451797293903835 (2.65116e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.451797254649803 (1.60103e-06% change) large trace change predicted (3.593e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.451797166562065 (3.59278e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451797005492685 (6.56944e-06% change) linmin: converged after 6 iterations. iteration 611: trace = 2.451796920112159 (3.48237e-06% change) linmin: converged after 6 iterations. iteration 612: trace = 2.45179679732706 (5.00796e-06% change) linmin: converged after 6 iterations. iteration 613: trace = 2.451796693564692 (4.2321e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796649410477 (1.80089e-06% change) large trace change predicted (4.06062e-06%) linmin: converged after 3 iterations. iteration 615: trace = 2.451796549857634 (4.0604e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796494649746 (2.25173e-06% change) linmin: converged after 3 iterations. iteration 617: trace = 2.451796462267598 (1.32075e-06% change) linmin: converged after 2 iterations. iteration 618: trace = 2.451796416806242 (1.85421e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451796356724762 (2.45051e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451796344704529 (4.90262e-07% change) large trace change predicted (2.2744e-06%) linmin: converged after 26 iterations. iteration 621: trace = 2.451796288941718 (2.27437e-06% change) linmin: converged after 2 iterations. iteration 622: trace = 2.451796270977686 (7.32689e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451796249624427 (8.70923e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451796214952842 (1.41413e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451796170173427 (1.82639e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451796151665538 (7.54871e-07% change) large trace change predicted (1.78874e-06%) linmin: converged after 3 iterations. iteration 627: trace = 2.45179610780839 (1.78878e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.451796047092974 (2.47636e-06% change) linmin: converged after 26 iterations. iteration 629: trace = 2.451796029479969 (7.18372e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.451796012741334 (6.82709e-07% change) large trace change predicted (2.09654e-06%) linmin: converged after 2 iterations. iteration 631: trace = 2.451795961338387 (2.09654e-06% change) linmin: converged after 9 iterations. iteration 632: trace = 2.45179592602504 (1.44031e-06% change) linmin: converged after 3 iterations. iteration 633: trace = 2.451795905088337 (8.53933e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795863367345 (1.70165e-06% change) linmin: converged after 3 iterations. iteration 635: trace = 2.451795842434369 (8.53781e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451795823253336 (7.82326e-07% change) linmin: converged after 2 iterations. iteration 637: trace = 2.451795792757435 (1.24382e-06% change) linmin: converged after 7 iterations. iteration 638: trace = 2.45179576555358 (1.10955e-06% change) linmin: converged after 8 iterations. iteration 639: trace = 2.451795739773108 (1.05149e-06% change) linmin: converged after 3 iterations. iteration 640: trace = 2.4517956901301 (2.02476e-06% change) linmin: converged after 2 iterations. iteration 641: trace = 2.451795664286969 (1.05405e-06% change) linmin: converged after 15 iterations. iteration 642: trace = 2.45179563766033 (1.08601e-06% change) linmin: converged after 2 iterations. iteration 643: trace = 2.451795588485063 (2.00568e-06% change) linmin: converged after 3 iterations. iteration 644: trace = 2.451795539525068 (1.9969e-06% change) linmin: converged after 19 iterations. iteration 645: trace = 2.451795502640996 (1.50437e-06% change) large trace change predicted (4.31029e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451795396954941 (4.31056e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.451795364800598 (1.31146e-06% change) large trace change predicted (2.93782e-06%) linmin: converged after 2 iterations. iteration 648: trace = 2.451795292770135 (2.93787e-06% change) large trace change predicted (6.32079e-06%) linmin: converged after 3 iterations. iteration 649: trace = 2.451795137780789 (6.32146e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451795085908627 (2.11568e-06% change) linmin: converged after 11 iterations. iteration 651: trace = 2.451795039112831 (1.90863e-06% change) linmin: converged after 16 iterations. iteration 652: trace = 2.451794981825601 (2.33654e-06% change) linmin: converged after 3 iterations. iteration 653: trace = 2.451794964154467 (7.20743e-07% change) large trace change predicted (1.71611e-06%) linmin: converged after 4 iterations. iteration 654: trace = 2.451794922076946 (1.71619e-06% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794889434599 (1.33137e-06% change) linmin: converged after 13 iterations. iteration 656: trace = 2.451794879984825 (3.85423e-07% change) large trace change predicted (9.94414e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.451794855604035 (9.94406e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.451794823053012 (1.32764e-06% change) linmin: converged after 16 iterations. iteration 659: trace = 2.451794811662601 (4.64574e-07% change) large trace change predicted (1.70714e-06%) linmin: converged after 5 iterations. iteration 660: trace = 2.451794769807879 (1.70711e-06% change) linmin: converged after 3 iterations. iteration 661: trace = 2.451794708290626 (2.50907e-06% change) linmin: converged after 3 iterations. iteration 662: trace = 2.451794634213091 (3.02136e-06% change) linmin: converged after 19 iterations. iteration 663: trace = 2.451794612022829 (9.05062e-07% change) large trace change predicted (3.52775e-06%) linmin: converged after 4 iterations. iteration 664: trace = 2.451794525544635 (3.52714e-06% change) linmin: converged after 4 iterations. iteration 665: trace = 2.451794469815066 (2.27301e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.451794420057125 (2.02945e-06% change) large trace change predicted (5.20654e-06%) linmin: converged after 5 iterations. iteration 667: trace = 2.451794292444008 (5.20489e-06% change) linmin: converged after 3 iterations. iteration 668: trace = 2.451794165930693 (5.16003e-06% change) linmin: converged after 4 iterations. iteration 669: trace = 2.451794133465237 (1.32415e-06% change) large trace change predicted (3.19858e-06%) linmin: converged after 11 iterations. iteration 670: trace = 2.451794055050618 (3.19825e-06% change) linmin: converged after 5 iterations. iteration 671: trace = 2.451794029890598 (1.02619e-06% change) linmin: converged after 3 iterations. iteration 672: trace = 2.45179401156865 (7.47287e-07% change) large trace change predicted (1.51873e-06%) linmin: converged after 6 iterations. iteration 673: trace = 2.451793974332896 (1.51871e-06% change) linmin: converged after 3 iterations. iteration 674: trace = 2.451793962126843 (4.97842e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.451793946727369 (6.2809e-07% change) large trace change predicted (1.33892e-06%) linmin: converged after 2 iterations. iteration 676: trace = 2.451793913899442 (1.33893e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793874281844 (1.61586e-06% change) linmin: converged after 3 iterations. iteration 678: trace = 2.451793859883507 (5.87257e-07% change) large trace change predicted (2.37031e-06%) linmin: converged after 3 iterations. iteration 679: trace = 2.451793801762028 (2.37057e-06% change) linmin: converged after 3 iterations. iteration 680: trace = 2.45179375962895 (1.71846e-06% change) linmin: converged after 2 iterations. iteration 681: trace = 2.451793723775928 (1.46232e-06% change) large trace change predicted (3.58492e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793635857668 (3.58588e-06% change) linmin: converged after 3 iterations. iteration 683: trace = 2.451793595839454 (1.6322e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793522898229 (2.97501e-06% change) linmin: converged after 4 iterations. iteration 685: trace = 2.451793441862717 (3.30515e-06% change) linmin: converged after 3 iterations. iteration 686: trace = 2.451793417050211 (1.01201e-06% change) large trace change predicted (2.28174e-06%) linmin: converged after 2 iterations. iteration 687: trace = 2.451793361103791 (2.28186e-06% change) linmin: converged after 3 iterations. iteration 688: trace = 2.45179327485653 (3.51772e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451793244726272 (1.22891e-06% change) linmin: converged after 8 iterations. iteration 690: trace = 2.45179320944602 (1.43896e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451793151290725 (2.37195e-06% change) linmin: converged after 2 iterations. iteration 692: trace = 2.451793130443018 (8.50304e-07% change) linmin: converged after 15 iterations. iteration 693: trace = 2.451793098215616 (1.31444e-06% change) linmin: converged after 13 iterations. iteration 694: trace = 2.451793054669052 (1.77611e-06% change) linmin: converged after 19 iterations. iteration 695: trace = 2.451793041170863 (5.50544e-07% change) linmin: converged after 2 iterations. iteration 696: trace = 2.451793017141788 (9.80061e-07% change) large trace change predicted (2.72664e-06%) linmin: converged after 3 iterations. iteration 697: trace = 2.451792950287839 (2.72674e-06% change) linmin: converged after 4 iterations. iteration 698: trace = 2.45179291676277 (1.36737e-06% change) large trace change predicted (4.11915e-06%) linmin: converged after 2 iterations. iteration 699: trace = 2.451792815767903 (4.11923e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 700: trace = 2.451792735973971 (3.25451e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792713385848 (9.2129e-07% change) large trace change predicted (2.24644e-06%) linmin: converged after 27 iterations. iteration 702: trace = 2.451792658309004 (2.24639e-06% change) linmin: converged after 8 iterations. iteration 703: trace = 2.451792637528764 (8.47553e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.451792624061017 (5.49302e-07% change) large trace change predicted (1.7001e-06%) linmin: converged after 3 iterations. iteration 705: trace = 2.451792582379331 (1.70005e-06% change) linmin: converged after 16 iterations. iteration 706: trace = 2.45179255538638 (1.10095e-06% change) linmin: converged after 18 iterations. iteration 707: trace = 2.451792537408584 (7.33251e-07% change) large trace change predicted (2.25362e-06%) linmin: converged after 6 iterations. iteration 708: trace = 2.451792482156694 (2.25353e-06% change) linmin: converged after 3 iterations. iteration 709: trace = 2.451792465849439 (6.65116e-07% change) large trace change predicted (1.33888e-06%) linmin: converged after 3 iterations. iteration 710: trace = 2.451792433024327 (1.33882e-06% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451792391095912 (1.71011e-06% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451792367973385 (9.43087e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.451792340588103 (1.11695e-06% change) linmin: converged after 4 iterations. iteration 714: trace = 2.451792302327005 (1.56054e-06% change) linmin: converged after 23 iterations. iteration 715: trace = 2.451792278794445 (9.5981e-07% change) large trace change predicted (2.39835e-06%) linmin: converged after 4 iterations. iteration 716: trace = 2.451792219997243 (2.39813e-06% change) linmin: converged after 4 iterations. iteration 717: trace = 2.45179215196424 (2.77483e-06% change) linmin: converged after 2 iterations. iteration 718: trace = 2.451792133137846 (7.67863e-07% change) large trace change predicted (1.8277e-06%) linmin: converged after 19 iterations. iteration 719: trace = 2.451792088331478 (1.82749e-06% change) linmin: converged after 4 iterations. iteration 720: trace = 2.451792045582993 (1.74356e-06% change) linmin: converged after 22 iterations. iteration 721: trace = 2.451792036069681 (3.88015e-07% change) large trace change predicted (1.12578e-06%) linmin: converged after 16 iterations. iteration 722: trace = 2.451792008467948 (1.12578e-06% change) linmin: converged after 10 iterations. iteration 723: trace = 2.45179198955999 (7.71189e-07% change) linmin: converged after 7 iterations. iteration 724: trace = 2.451791985092234 (1.82224e-07% change) large trace change predicted (4.22936e-07%) linmin: converged after 13 iterations. iteration 725: trace = 2.451791974722604 (4.22941e-07% change) linmin: converged after 8 iterations. iteration 726: trace = 2.451791956378741 (7.48182e-07% change) linmin: converged after 10 iterations. iteration 727: trace = 2.451791950427283 (2.42739e-07% change) large trace change predicted (6.32523e-07%) linmin: converged after 3 iterations. iteration 728: trace = 2.451791934918383 (6.32554e-07% change) large trace change predicted (1.58896e-06%) linmin: converged after 15 iterations. iteration 729: trace = 2.451791895956499 (1.58912e-06% change) linmin: converged after 10 iterations. iteration 730: trace = 2.451791861578978 (1.40214e-06% change) linmin: converged after 6 iterations. iteration 731: trace = 2.451791832578483 (1.18283e-06% change) large trace change predicted (2.51013e-06%) linmin: converged after 4 iterations. iteration 732: trace = 2.451791771020753 (2.51072e-06% change) linmin: converged after 6 iterations. iteration 733: trace = 2.451791747921329 (9.42145e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.45179172199811 (1.05732e-06% change) linmin: converged after 2 iterations. iteration 735: trace = 2.451791681180189 (1.66482e-06% change) linmin: converged after 21 iterations. iteration 736: trace = 2.451791663920676 (7.03955e-07% change) large trace change predicted (1.42046e-06%) linmin: converged after 3 iterations. iteration 737: trace = 2.451791629094082 (1.42045e-06% change) linmin: converged after 3 iterations. iteration 738: trace = 2.451791597026106 (1.30794e-06% change) linmin: converged after 3 iterations. iteration 739: trace = 2.451791584493572 (5.11158e-07% change) linmin: converged after 3 iterations. iteration 740: trace = 2.451791573347998 (4.54589e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.451791557905974 (6.29826e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791553693612 (1.71808e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.451791546815618 (2.80529e-07% change) linmin: converged after 8 iterations. iteration 744: trace = 2.451791535594135 (4.57685e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791532954725 (1.07652e-07% change) large trace change predicted (8.23857e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.45179151275595 (8.23837e-07% change) linmin: converged after 2 iterations. iteration 747: trace = 2.451791500115765 (5.15549e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.451791484009999 (6.56898e-07% change) linmin: converged after 6 iterations. iteration 749: trace = 2.451791455247939 (1.1731e-06% change) linmin: converged after 3 iterations. iteration 750: trace = 2.451791407870619 (1.93236e-06% change) linmin: converged after 3 iterations. iteration 751: trace = 2.451791395788454 (4.92789e-07% change) large trace change predicted (1.05106e-06%) linmin: converged after 5 iterations. iteration 752: trace = 2.451791370018292 (1.05107e-06% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791337156644 (1.34031e-06% change) linmin: converged after 7 iterations. iteration 754: trace = 2.45179132960818 (3.07875e-07% change) large trace change predicted (8.59089e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.451791308545715 (8.59064e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451791294509581 (5.72485e-07% change) linmin: converged after 2 iterations. iteration 757: trace = 2.451791287850632 (2.71595e-07% change) large trace change predicted (5.73049e-07%) linmin: converged after 3 iterations. iteration 758: trace = 2.451791273800747 (5.73046e-07% change) linmin: converged after 5 iterations. iteration 759: trace = 2.451791254442803 (7.89543e-07% change) linmin: converged after 7 iterations. iteration 760: trace = 2.451791250679621 (1.53487e-07% change) large trace change predicted (5.76617e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.451791236542554 (5.76602e-07% change) linmin: converged after 10 iterations. iteration 762: trace = 2.451791228177568 (3.41179e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.451791222089034 (2.4833e-07% change) linmin: converged after 2 iterations. iteration 764: trace = 2.45179121837512 (1.51478e-07% change) large trace change predicted (4.70197e-07%) linmin: converged after 2 iterations. iteration 765: trace = 2.451791206846856 (4.70198e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.451791199724155 (2.9051e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.451791193275321 (2.63025e-07% change) large trace change predicted (6.02358e-07%) linmin: converged after 2 iterations. iteration 768: trace = 2.451791178506686 (6.02361e-07% change) linmin: converged after 16 iterations. iteration 769: trace = 2.451791170879737 (3.11077e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.451791163588499 (2.97384e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.451791149922613 (5.57384e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.45179114388743 (2.46154e-07% change) linmin: converged after 6 iterations. iteration 773: trace = 2.451791136832123 (2.87761e-07% change) linmin: converged after 2 iterations. iteration 774: trace = 2.451791126337473 (4.2804e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.451791122995828 (1.36294e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.45179111679879 (2.52756e-07% change) linmin: converged after 2 iterations. iteration 777: trace = 2.451791109191606 (3.1027e-07% change) linmin: converged after 9 iterations. iteration 778: trace = 2.45179110239284 (2.77298e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451791093004328 (3.82925e-07% change) linmin: converged after 3 iterations. iteration 780: trace = 2.451791077222339 (6.43692e-07% change) linmin: converged after 2 iterations. iteration 781: trace = 2.451791073093088 (1.68418e-07% change) large trace change predicted (5.38894e-07%) linmin: converged after 24 iterations. iteration 782: trace = 2.451791059880235 (5.38906e-07% change) linmin: converged after 2 iterations. iteration 783: trace = 2.451791048214907 (4.75788e-07% change) linmin: converged after 14 iterations. iteration 784: trace = 2.451791043662033 (1.85696e-07% change) large trace change predicted (7.44705e-07%) linmin: converged after 16 iterations. iteration 785: trace = 2.451791025402476 (7.44744e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.451791002705439 (9.25733e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790994296228 (3.42982e-07% change) large trace change predicted (9.31606e-07%) linmin: converged after 2 iterations. iteration 788: trace = 2.451790971454671 (9.31627e-07% change) linmin: converged after 2 iterations. iteration 789: trace = 2.451790936202922 (1.4378e-06% change) linmin: converged after 3 iterations. iteration 790: trace = 2.451790929346274 (2.79659e-07% change) large trace change predicted (8.69486e-07%) linmin: converged after 3 iterations. iteration 791: trace = 2.451790908027687 (8.69511e-07% change) linmin: converged after 2 iterations. iteration 792: trace = 2.451790893576357 (5.89419e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.451790890020725 (1.45022e-07% change) large trace change predicted (5.32387e-07%) linmin: converged after 2 iterations. iteration 794: trace = 2.451790876967421 (5.32399e-07% change) linmin: converged after 3 iterations. iteration 795: trace = 2.451790868820841 (3.32271e-07% change) linmin: converged after 20 iterations. iteration 796: trace = 2.451790866257376 (1.04555e-07% change) linmin: converged after 2 iterations. iteration 797: trace = 2.451790861780407 (1.826e-07% change) large trace change predicted (3.96954e-07%) linmin: converged after 2 iterations. iteration 798: trace = 2.451790852047909 (3.96955e-07% change) linmin: converged after 6 iterations. iteration 799: trace = 2.451790847076646 (2.02761e-07% change) large trace change predicted (4.08768e-07%) linmin: converged after 5 iterations. iteration 800: trace = 2.451790837054765 (4.08758e-07% change) linmin: converged after 3 iterations. iteration 801: trace = 2.451790817335906 (8.04264e-07% change) linmin: converged after 6 iterations. iteration 802: trace = 2.451790794602013 (9.27236e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.451790786000812 (3.50813e-07% change) large trace change predicted (1.02455e-06%) linmin: converged after 5 iterations. iteration 804: trace = 2.451790760882183 (1.0245e-06% change) linmin: converged after 16 iterations. iteration 805: trace = 2.451790740503937 (8.31158e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.451790730236656 (4.18767e-07% change) large trace change predicted (1.1669e-06%) linmin: converged after 3 iterations. iteration 807: trace = 2.451790701629887 (1.16677e-06% change) linmin: converged after 4 iterations. iteration 808: trace = 2.451790674914408 (1.08963e-06% change) linmin: converged after 11 iterations. iteration 809: trace = 2.451790667117731 (3.17999e-07% change) large trace change predicted (7.77162e-07%) linmin: converged after 14 iterations. iteration 810: trace = 2.451790648064388 (7.7712e-07% change) linmin: converged after 4 iterations. iteration 811: trace = 2.451790640953193 (2.90041e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.451790637185523 (1.5367e-07% change) large trace change predicted (3.43254e-07%) linmin: converged after 12 iterations. iteration 813: trace = 2.451790628769825 (3.43247e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790625950864 (1.14976e-07% change) linmin: converged after 8 iterations. iteration 815: trace = 2.451790622016659 (1.60462e-07% change) large trace change predicted (3.50387e-07%) linmin: converged after 2 iterations. iteration 816: trace = 2.451790613425877 (3.50388e-07% change) linmin: converged after 4 iterations. iteration 817: trace = 2.451790604263075 (3.73719e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.451790596543134 (3.1487e-07% change) large trace change predicted (7.49179e-07%) linmin: converged after 3 iterations. iteration 819: trace = 2.451790578173797 (7.49221e-07% change) linmin: converged after 3 iterations. iteration 820: trace = 2.451790565854311 (5.02469e-07% change) linmin: converged after 5 iterations. iteration 821: trace = 2.45179055377303 (4.92753e-07% change) large trace change predicted (1.24216e-06%) linmin: converged after 3 iterations. iteration 822: trace = 2.451790523313139 (1.24235e-06% change) linmin: converged after 4 iterations. iteration 823: trace = 2.451790506795848 (6.73683e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.451790490932665 (6.47004e-07% change) linmin: converged after 3 iterations. iteration 825: trace = 2.451790475293392 (6.37872e-07% change) linmin: converged after 10 iterations. iteration 826: trace = 2.451790466892733 (3.42634e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.451790458534979 (3.40884e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.451790442893108 (6.37977e-07% change) linmin: converged after 5 iterations. iteration 829: trace = 2.451790433408977 (3.86825e-07% change) linmin: converged after 16 iterations. iteration 830: trace = 2.451790426941059 (2.63804e-07% change) large trace change predicted (7.12545e-07%) linmin: converged after 5 iterations. iteration 831: trace = 2.451790409470244 (7.12574e-07% change) linmin: converged after 19 iterations. iteration 832: trace = 2.451790402203408 (2.96389e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.451790393834325 (3.41346e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790380438437 (5.46372e-07% change) linmin: converged after 10 iterations. iteration 835: trace = 2.451790373523198 (2.82049e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.451790370151761 (1.37509e-07% change) large trace change predicted (5.80216e-07%) linmin: converged after 25 iterations. iteration 837: trace = 2.451790355925887 (5.80224e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.451790340317039 (6.36631e-07% change) linmin: converged after 2 iterations. iteration 839: trace = 2.451790324464929 (6.46552e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.451790309779352 (5.98974e-07% change) linmin: converged after 18 iterations. iteration 841: trace = 2.45179029649365 (5.41878e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.45179028307721 (5.4721e-07% change) linmin: converged after 3 iterations. iteration 843: trace = 2.451790279670369 (1.38953e-07% change) linmin: converged after 3 iterations. iteration 844: trace = 2.451790273062005 (2.69532e-07% change) linmin: converged after 21 iterations. iteration 845: trace = 2.451790261480712 (4.72361e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790259224823 (9.20098e-08% change) large trace change predicted (4.1551e-07%) linmin: converged after 16 iterations. iteration 847: trace = 2.451790249037572 (4.15503e-07% change) linmin: converged after 10 iterations. iteration 848: trace = 2.451790237706153 (4.62169e-07% change) linmin: converged after 7 iterations. iteration 849: trace = 2.451790232156626 (2.26346e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790222441097 (3.96263e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.451790213537884 (3.63131e-07% change) linmin: converged after 16 iterations. iteration 852: trace = 2.451790208676213 (1.98291e-07% change) large trace change predicted (4.41386e-07%) linmin: converged after 6 iterations. iteration 853: trace = 2.451790197854555 (4.41378e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.451790191124031 (2.74515e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.451790184160896 (2.84002e-07% change) large trace change predicted (7.53085e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.451790165698048 (7.53035e-07% change) linmin: converged after 6 iterations. iteration 857: trace = 2.45179015009668 (6.36326e-07% change) linmin: converged after 3 iterations. iteration 858: trace = 2.451790143604585 (2.6479e-07% change) linmin: converged after 14 iterations. iteration 859: trace = 2.451790132254787 (4.62919e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451790121261698 (4.4837e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.451790118898645 (9.63807e-08% change) large trace change predicted (3.79461e-07%) linmin: converged after 3 iterations. iteration 862: trace = 2.45179010959524 (3.79454e-07% change) linmin: converged after 6 iterations. iteration 863: trace = 2.45179010705539 (1.03592e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451790104476392 (1.05188e-07% change) linmin: converged after 7 iterations. iteration 865: trace = 2.451790101403323 (1.2534e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451790097444481 (1.61467e-07% change) linmin: converged after 15 iterations. iteration 867: trace = 2.451790095628192 (7.40801e-08% change) large trace change predicted (1.95522e-07%) linmin: converged after 23 iterations. iteration 868: trace = 2.451790090834302 (1.95526e-07% change) large trace change predicted (4.25874e-07%) linmin: converged after 9 iterations. iteration 869: trace = 2.45179008039213 (4.259e-07% change) linmin: converged after 4 iterations. iteration 870: trace = 2.451790077448802 (1.20048e-07% change) large trace change predicted (6.0249e-07%) linmin: converged after 2 iterations. iteration 871: trace = 2.451790062675531 (6.0255e-07% change) linmin: converged after 5 iterations. iteration 872: trace = 2.451790051455813 (4.57613e-07% change) linmin: converged after 15 iterations. iteration 873: trace = 2.451790045147716 (2.57285e-07% change) linmin: converged after 4 iterations. iteration 874: trace = 2.451790035301876 (4.01578e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.451790024447664 (4.42706e-07% change) linmin: converged after 15 iterations. iteration 876: trace = 2.451790020630139 (1.55704e-07% change) large trace change predicted (4.65255e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.451790009222636 (4.65272e-07% change) linmin: converged after 4 iterations. iteration 878: trace = 2.451790002210733 (2.85991e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789999285162 (1.19324e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.45178999465364 (1.88904e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789991462778 (1.30144e-07% change) linmin: converged after 10 iterations. iteration 882: trace = 2.451789989911505 (6.3271e-08% change) linmin: converged after 2 iterations. iteration 883: trace = 2.451789987774147 (8.71754e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.45178998561956 (8.78781e-08% change) linmin: converged after 32 iterations. iteration 885: trace = 2.451789984060726 (6.35794e-08% change) large trace change predicted (2.26079e-07%) linmin: converged after 3 iterations. iteration 886: trace = 2.451789978517803 (2.26077e-07% change) linmin: converged after 3 iterations. iteration 887: trace = 2.451789975618574 (1.18249e-07% change) linmin: converged after 21 iterations. iteration 888: trace = 2.451789970752478 (1.98471e-07% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789963007556 (3.15888e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.4517899579975 (2.04343e-07% change) linmin: converged after 3 iterations. iteration 891: trace = 2.45178994846777 (3.88685e-07% change) linmin: converged after 9 iterations. iteration 892: trace = 2.451789940500019 (3.24977e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789931682476 (3.59637e-07% change) linmin: converged after 11 iterations. iteration 894: trace = 2.451789929697368 (8.09657e-08% change) large trace change predicted (2.14415e-07%) linmin: converged after 16 iterations. iteration 895: trace = 2.451789924440501 (2.14409e-07% change) linmin: converged after 3 iterations. iteration 896: trace = 2.451789920666248 (1.53939e-07% change) linmin: converged after 9 iterations. iteration 897: trace = 2.451789918914021 (7.14673e-08% change) linmin: converged after 8 iterations. iteration 898: trace = 2.451789915531875 (1.37946e-07% change) linmin: converged after 3 iterations. iteration 899: trace = 2.451789911150354 (1.78707e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789909905673 (5.07662e-08% change) large trace change predicted (1.76165e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.451789905586541 (1.76162e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.451789904563604 (4.17221e-08% change) linmin: converged after 3 iterations. iteration 903: trace = 2.451789902854239 (6.97191e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.451789900655728 (8.96697e-08% change) linmin: converged after 2 iterations. iteration 905: trace = 2.451789897972549 (1.09438e-07% change) linmin: converged after 4 iterations. iteration 906: trace = 2.451789896889578 (4.41706e-08% change) large trace change predicted (1.05592e-07%) linmin: converged after 2 iterations. iteration 907: trace = 2.45178989430069 (1.05592e-07% change) linmin: converged after 2 iterations. iteration 908: trace = 2.451789890957687 (1.36349e-07% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789889732013 (4.9991e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.451789888533851 (4.88689e-08% change) large trace change predicted (1.2737e-07%) linmin: converged after 2 iterations. iteration 911: trace = 2.451789885411004 (1.2737e-07% change) linmin: converged after 4 iterations. iteration 912: trace = 2.451789882973843 (9.94033e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.451789881904536 (4.36133e-08% change) large trace change predicted (1.05932e-07%) linmin: converged after 4 iterations. iteration 914: trace = 2.451789879307316 (1.05932e-07% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789877254513 (8.37267e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.451789875938015 (5.36954e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.451789874643029 (5.2818e-08% change) large trace change predicted (1.47752e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789871020394 (1.47755e-07% change) linmin: converged after 4 iterations. iteration 919: trace = 2.451789870072425 (3.86643e-08% change) large trace change predicted (1.29495e-07%) linmin: converged after 6 iterations. iteration 920: trace = 2.45178986689743 (1.29497e-07% change) linmin: converged after 2 iterations. iteration 921: trace = 2.451789863729079 (1.29226e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.451789862594803 (4.62632e-08% change) large trace change predicted (1.72944e-07%) linmin: converged after 6 iterations. iteration 923: trace = 2.45178985835452 (1.72946e-07% change) linmin: converged after 18 iterations. iteration 924: trace = 2.451789854009284 (1.77227e-07% change) linmin: converged after 3 iterations. iteration 925: trace = 2.451789852099355 (7.78994e-08% change) large trace change predicted (2.94273e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789844884257 (2.94279e-07% change) linmin: converged after 19 iterations. iteration 927: trace = 2.451789839801303 (2.07316e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789837325225 (1.00991e-07% change) large trace change predicted (3.74766e-07%) linmin: converged after 3 iterations. iteration 929: trace = 2.451789828136397 (3.7478e-07% change) linmin: converged after 4 iterations. iteration 930: trace = 2.451789824134031 (1.63243e-07% change) linmin: converged after 7 iterations. iteration 931: trace = 2.451789820661545 (1.41631e-07% change) linmin: converged after 3 iterations. iteration 932: trace = 2.451789816782019 (1.58232e-07% change) linmin: converged after 9 iterations. iteration 933: trace = 2.451789813578717 (1.30652e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789812508383 (4.36552e-08% change) large trace change predicted (8.96536e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.451789810310252 (8.96541e-08% change) linmin: converged after 5 iterations. iteration 936: trace = 2.451789808910722 (5.7082e-08% change) linmin: converged after 11 iterations. iteration 937: trace = 2.451789807462006 (5.90881e-08% change) linmin: converged after 3 iterations. iteration 938: trace = 2.451789805875364 (6.47136e-08% change) linmin: converged after 15 iterations. iteration 939: trace = 2.451789802780504 (1.26229e-07% change) linmin: converged after 3 iterations. iteration 940: trace = 2.451789799165365 (1.47449e-07% change) linmin: converged after 7 iterations. iteration 941: trace = 2.451789796291298 (1.17223e-07% change) large trace change predicted (2.9045e-07%) linmin: converged after 4 iterations. iteration 942: trace = 2.451789789170184 (2.90446e-07% change) linmin: converged after 6 iterations. iteration 943: trace = 2.45178978657745 (1.05749e-07% change) large trace change predicted (2.46424e-07%) linmin: converged after 4 iterations. iteration 944: trace = 2.451789780535648 (2.46424e-07% change) linmin: converged after 7 iterations. iteration 945: trace = 2.451789774993603 (2.26041e-07% change) linmin: converged after 9 iterations. iteration 946: trace = 2.451789770389197 (1.87798e-07% change) linmin: converged after 3 iterations. iteration 947: trace = 2.451789765370563 (2.04693e-07% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789757170754 (3.34442e-07% change) linmin: converged after 19 iterations. iteration 949: trace = 2.451789755008747 (8.81808e-08% change) linmin: converged after 5 iterations. iteration 950: trace = 2.451789750811095 (1.71208e-07% change) linmin: converged after 4 iterations. iteration 951: trace = 2.451789748463809 (9.57377e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789747695404 (3.13406e-08% change) large trace change predicted (8.25276e-08%) linmin: converged after 4 iterations. iteration 953: trace = 2.45178974567201 (8.25272e-08% change) linmin: converged after 5 iterations. iteration 954: trace = 2.451789744313788 (5.53972e-08% change) linmin: converged after 2 iterations. iteration 955: trace = 2.451789743483708 (3.38561e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789741842887 (6.69234e-08% change) large trace change predicted (1.64795e-07%) linmin: converged after 19 iterations. iteration 957: trace = 2.451789737802367 (1.64799e-07% change) linmin: converged after 18 iterations. iteration 958: trace = 2.4517897369849 (3.33416e-08% change) large trace change predicted (2.40626e-07%) linmin: converged after 3 iterations. iteration 959: trace = 2.451789731084944 (2.40639e-07% change) linmin: converged after 13 iterations. iteration 960: trace = 2.451789727801833 (1.33907e-07% change) linmin: converged after 10 iterations. iteration 961: trace = 2.451789724031748 (1.53769e-07% change) linmin: converged after 17 iterations. iteration 962: trace = 2.451789717437777 (2.68945e-07% change) linmin: converged after 3 iterations. iteration 963: trace = 2.451789710619834 (2.7808e-07% change) linmin: converged after 3 iterations. iteration 964: trace = 2.451789708627269 (8.12698e-08% change) linmin: converged after 2 iterations. iteration 965: trace = 2.451789704819428 (1.55309e-07% change) linmin: converged after 2 iterations. iteration 966: trace = 2.451789700866408 (1.6123e-07% change) linmin: converged after 2 iterations. iteration 967: trace = 2.451789699702646 (4.74658e-08% change) large trace change predicted (1.65908e-07%) linmin: converged after 9 iterations. iteration 968: trace = 2.451789695634835 (1.65912e-07% change) linmin: converged after 18 iterations. iteration 969: trace = 2.451789692516184 (1.27199e-07% change) linmin: converged after 12 iterations. iteration 970: trace = 2.45178969012336 (9.7595e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.451789687186673 (1.19777e-07% change) linmin: converged after 4 iterations. iteration 972: trace = 2.451789684013402 (1.29427e-07% change) linmin: converged after 4 iterations. iteration 973: trace = 2.451789683230611 (3.19273e-08% change) large trace change predicted (1.54432e-07%) linmin: converged after 4 iterations. iteration 974: trace = 2.451789679444196 (1.54435e-07% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896774956 (7.94765e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.451789676277236 (4.96928e-08% change) large trace change predicted (1.45095e-07%) linmin: converged after 7 iterations. iteration 977: trace = 2.45178967271978 (1.45096e-07% change) linmin: converged after 3 iterations. iteration 978: trace = 2.451789668089779 (1.88842e-07% change) linmin: converged after 3 iterations. iteration 979: trace = 2.451789661871158 (2.53636e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.451789655978992 (2.40321e-07% change) linmin: converged after 7 iterations. iteration 981: trace = 2.451789651840893 (1.68779e-07% change) linmin: converged after 7 iterations. iteration 982: trace = 2.451789648976571 (1.16826e-07% change) linmin: converged after 2 iterations. iteration 983: trace = 2.451789647470846 (6.14133e-08% change) linmin: converged after 3 iterations. iteration 984: trace = 2.45178964574123 (7.0545e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789643545518 (8.95555e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.451789642173499 (5.59599e-08% change) large trace change predicted (1.1649e-07%) linmin: converged after 4 iterations. iteration 987: trace = 2.451789639317437 (1.16489e-07% change) linmin: converged after 25 iterations. iteration 988: trace = 2.451789637814333 (6.13064e-08% change) linmin: converged after 19 iterations. iteration 989: trace = 2.451789635294094 (1.02792e-07% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789632940412 (9.59985e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789631620998 (5.38143e-08% change) linmin: converged after 9 iterations. iteration 992: trace = 2.451789629097917 (1.02908e-07% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789626085564 (1.22863e-07% change) linmin: converged after 6 iterations. iteration 994: trace = 2.451789624882579 (4.90656e-08% change) linmin: converged after 3 iterations. iteration 995: trace = 2.451789622540261 (9.5535e-08% change) large trace change predicted (1.9429e-07%) linmin: converged after 29 iterations. iteration 996: trace = 2.451789617776852 (1.94283e-07% change) linmin: converged after 4 iterations. iteration 997: trace = 2.451789615236879 (1.03597e-07% change) linmin: converged after 5 iterations. iteration 998: trace = 2.451789612509987 (1.1122e-07% change) linmin: converged after 21 iterations. iteration 999: trace = 2.451789609317619 (1.30206e-07% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.451789607475173 (7.5147e-08% change) linmin: converged after 3 iterations. iteration 1001: trace = 2.451789605338165 (8.71612e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.451789602775535 (1.04521e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789602225163 (2.24477e-08% change) linmin: converged after 14 iterations. iteration 1004: trace = 2.451789601429678 (3.24451e-08% change) linmin: converged after 33 iterations. iteration 1005: trace = 2.45178960062488 (3.28249e-08% change) linmin: converged after 17 iterations. iteration 1006: trace = 2.451789600019859 (2.46767e-08% change) linmin: converged after 7 iterations. iteration 1007: trace = 2.4517895991516 (3.54133e-08% change) linmin: converged after 2 iterations. iteration 1008: trace = 2.451789597882093 (5.17788e-08% change) linmin: converged after 10 iterations. iteration 1009: trace = 2.451789596104106 (7.25179e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789594545208 (6.35821e-08% change) large trace change predicted (1.67227e-07%) linmin: converged after 5 iterations. iteration 1011: trace = 2.451789590444923 (1.67236e-07% change) linmin: converged after 25 iterations. iteration 1012: trace = 2.45178958769409 (1.12197e-07% change) linmin: converged after 14 iterations. iteration 1013: trace = 2.45178958573254 (8.00049e-08% change) linmin: converged after 18 iterations. iteration 1014: trace = 2.451789583208535 (1.02945e-07% change) linmin: converged after 10 iterations. iteration 1015: trace = 2.451789580460516 (1.12082e-07% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.451789579475492 (4.01757e-08% change) large trace change predicted (1.2567e-07%) linmin: converged after 4 iterations. iteration 1017: trace = 2.451789576394273 (1.25672e-07% change) linmin: converged after 13 iterations. iteration 1018: trace = 2.451789574570138 (7.44001e-08% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.451789573720643 (3.4648e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789572508435 (4.94418e-08% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.451789571573996 (3.81125e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.451789571273923 (1.22389e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.451789570750298 (2.13568e-08% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.451789570126833 (2.5429e-08% change) linmin: converged after 6 iterations. iteration 1025: trace = 2.451789569776392 (1.42933e-08% change) large trace change predicted (5.94042e-08%) linmin: converged after 6 iterations. iteration 1026: trace = 2.451789568319939 (5.94037e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.451789567457952 (3.51575e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.451789566347172 (4.53048e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.451789564307751 (8.31809e-08% change) linmin: converged after 8 iterations. iteration 1030: trace = 2.451789561996814 (9.42551e-08% change) linmin: converged after 6 iterations. iteration 1031: trace = 2.451789560545204 (5.92061e-08% change) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789558445644 (8.56338e-08% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.451789556752543 (6.90557e-08% change) linmin: converged after 2 iterations. iteration 1034: trace = 2.451789555747037 (4.10111e-08% change) linmin: converged after 8 iterations. iteration 1035: trace = 2.4517895541325 (6.58514e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789552990859 (4.65636e-08% change) linmin: converged after 10 iterations. iteration 1037: trace = 2.451789552597349 (1.60499e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.451789551828049 (3.13771e-08% change) linmin: converged after 11 iterations. iteration 1039: trace = 2.451789550596152 (5.02448e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.451789550296945 (1.22036e-08% change) large trace change predicted (4.1411e-08%) linmin: converged after 3 iterations. iteration 1041: trace = 2.451789549281639 (4.14108e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789548760959 (2.12367e-08% change) linmin: converged after 3 iterations. iteration 1043: trace = 2.451789548535636 (9.19014e-09% change) large trace change predicted (2.14469e-08%) linmin: converged after 2 iterations. iteration 1044: trace = 2.451789548009803 (2.14469e-08% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.45178954741993 (2.40589e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789547097788 (1.31391e-08% change) large trace change predicted (3.00318e-08%) linmin: converged after 25 iterations. iteration 1047: trace = 2.451789546361467 (3.0032e-08% change) linmin: converged after 2 iterations. iteration 1048: trace = 2.45178954531799 (4.25598e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.45178954503696 (1.14622e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.451789544764952 (1.10943e-08% change) large trace change predicted (3.87873e-08%) linmin: converged after 2 iterations. iteration 1051: trace = 2.451789543813969 (3.87873e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.451789543334399 (1.956e-08% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.451789542889757 (1.81354e-08% change) linmin: converged after 3 iterations. iteration 1054: trace = 2.451789542213203 (2.75943e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789541731634 (1.96415e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789541525542 (8.4058e-09% change) large trace change predicted (2.13722e-08%) linmin: converged after 7 iterations. iteration 1057: trace = 2.451789541001534 (2.13725e-08% change) linmin: converged after 10 iterations. iteration 1058: trace = 2.451789540308194 (2.82789e-08% change) linmin: converged after 10 iterations. iteration 1059: trace = 2.451789539845627 (1.88665e-08% change) large trace change predicted (4.14182e-08%) linmin: converged after 6 iterations. iteration 1060: trace = 2.451789538830124 (4.14188e-08% change) linmin: converged after 29 iterations. iteration 1061: trace = 2.451789538384306 (1.81834e-08% change) linmin: converged after 17 iterations. iteration 1062: trace = 2.45178953783625 (2.23533e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.451789536758813 (4.39449e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.451789536364786 (1.6071e-08% change) large trace change predicted (5.01252e-08%) linmin: converged after 4 iterations. iteration 1065: trace = 2.451789535135801 (5.0126e-08% change) linmin: converged after 11 iterations. iteration 1066: trace = 2.451789533249406 (7.69395e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178953210343 (4.67404e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.451789531377887 (2.95924e-08% change) large trace change predicted (8.92514e-08%) linmin: converged after 10 iterations. iteration 1069: trace = 2.451789529189583 (8.92533e-08% change) linmin: converged after 2 iterations. iteration 1070: trace = 2.451789528090198 (4.48401e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789527504516 (2.38879e-08% change) large trace change predicted (6.50385e-08%) linmin: converged after 9 iterations. iteration 1072: trace = 2.451789525909891 (6.50392e-08% change) linmin: converged after 3 iterations. iteration 1073: trace = 2.451789525135385 (3.15894e-08% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.451789524717338 (1.70507e-08% change) linmin: converged after 9 iterations. iteration 1075: trace = 2.451789524118881 (2.4409e-08% change) linmin: converged after 9 iterations. iteration 1076: trace = 2.451789523747809 (1.51347e-08% change) linmin: converged after 28 iterations. iteration 1077: trace = 2.451789523403682 (1.40358e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.451789522973627 (1.75404e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789522135468 (3.41856e-08% change) linmin: converged after 6 iterations. iteration 1080: trace = 2.451789521404868 (2.97986e-08% change) linmin: converged after 10 iterations. iteration 1081: trace = 2.451789520472709 (3.80195e-08% change) large trace change predicted (8.04058e-08%) linmin: converged after 7 iterations. iteration 1082: trace = 2.451789518501348 (8.0405e-08% change) linmin: converged after 2 iterations. iteration 1083: trace = 2.451789517822708 (2.76794e-08% change) large trace change predicted (5.94225e-08%) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789516365803 (5.94221e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789514886395 (6.03399e-08% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.451789513840043 (4.26771e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.451789512361514 (6.03041e-08% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.451789510120203 (9.14153e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789509586878 (2.17525e-08% change) large trace change predicted (4.46714e-08%) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789508491644 (4.46708e-08% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.451789507833981 (2.68238e-08% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789507554888 (1.13832e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.451789507161801 (1.60327e-08% change) linmin: converged after 3 iterations. iteration 1094: trace = 2.451789506798649 (1.48117e-08% change) linmin: converged after 2 iterations. iteration 1095: trace = 2.451789506329276 (1.91441e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789506109167 (8.97748e-09% change) large trace change predicted (4.59958e-08%) linmin: converged after 8 iterations. iteration 1097: trace = 2.451789504981427 (4.59966e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.45178950474344 (9.70666e-09% change) large trace change predicted (6.06069e-08%) linmin: converged after 19 iterations. iteration 1099: trace = 2.45178950325744 (6.06088e-08% change) linmin: converged after 20 iterations. iteration 1100: trace = 2.451789502095743 (4.73816e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.451789501405261 (2.81623e-08% change) large trace change predicted (6.9544e-08%) linmin: converged after 22 iterations. iteration 1102: trace = 2.451789499700134 (6.95462e-08% change) linmin: converged after 20 iterations. iteration 1103: trace = 2.451789497841726 (7.5798e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.451789497378323 (1.89006e-08% change) large trace change predicted (3.90832e-08%) linmin: converged after 4 iterations. iteration 1105: trace = 2.451789496420082 (3.90833e-08% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.451789495353078 (4.35194e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789494381687 (3.96197e-08% change) linmin: converged after 26 iterations. iteration 1108: trace = 2.45178949397928 (1.64128e-08% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.451789493224568 (3.07821e-08% change) linmin: converged after 3 iterations. iteration 1110: trace = 2.451789492080667 (4.66557e-08% change) linmin: converged after 7 iterations. iteration 1111: trace = 2.451789491803318 (1.13121e-08% change) large trace change predicted (3.89193e-08%) linmin: converged after 4 iterations. iteration 1112: trace = 2.451789490849095 (3.89195e-08% change) linmin: converged after 6 iterations. iteration 1113: trace = 2.451789490467708 (1.55555e-08% change) linmin: converged after 22 iterations. iteration 1114: trace = 2.451789489721389 (3.04397e-08% change) linmin: converged after 36 iterations. iteration 1115: trace = 2.451789489126382 (2.42683e-08% change) linmin: converged after 3 iterations. iteration 1116: trace = 2.451789488459372 (2.7205e-08% change) linmin: converged after 32 iterations. iteration 1117: trace = 2.451789488058363 (1.63558e-08% change) large trace change predicted (5.87847e-08%) linmin: converged after 3 iterations. iteration 1118: trace = 2.451789486617093 (5.87844e-08% change) large trace change predicted (1.4183e-07%) linmin: converged after 13 iterations. iteration 1119: trace = 2.451789483139668 (1.41832e-07% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1120: trace = 2.451789480630685 (1.02333e-07% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.451789478983771 (6.71719e-08% change) linmin: converged after 36 iterations. iteration 1122: trace = 2.451789478350402 (2.58329e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.451789477962928 (1.58037e-08% change) linmin: converged after 29 iterations. iteration 1124: trace = 2.451789477373786 (2.4029e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789476805078 (2.31957e-08% change) linmin: converged after 17 iterations. iteration 1126: trace = 2.45178947662315 (7.42022e-09% change) large trace change predicted (3.2743e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789475820365 (3.27428e-08% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.45178947564654 (7.08972e-09% change) large trace change predicted (3.14492e-08%) linmin: converged after 6 iterations. iteration 1129: trace = 2.451789474875475 (3.14491e-08% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.451789474248778 (2.55608e-08% change) linmin: converged after 13 iterations. iteration 1131: trace = 2.451789474036201 (8.67028e-09% change) large trace change predicted (3.17825e-08%) linmin: converged after 6 iterations. iteration 1132: trace = 2.451789473256964 (3.17824e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.451789472520535 (3.00364e-08% change) linmin: converged after 2 iterations. iteration 1134: trace = 2.451789471871875 (2.64566e-08% change) linmin: converged after 29 iterations. iteration 1135: trace = 2.451789471526069 (1.41042e-08% change) large trace change predicted (3.80841e-08%) linmin: converged after 3 iterations. iteration 1136: trace = 2.45178947059233 (3.8084e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.451789469664519 (3.78422e-08% change) linmin: converged after 11 iterations. iteration 1138: trace = 2.451789469091507 (2.33712e-08% change) linmin: converged after 6 iterations. iteration 1139: trace = 2.451789468374256 (2.92542e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.451789467590034 (3.19857e-08% change) linmin: converged after 3 iterations. iteration 1141: trace = 2.451789467339994 (1.01982e-08% change) large trace change predicted (2.61253e-08%) linmin: converged after 17 iterations. iteration 1142: trace = 2.45178946669946 (2.61252e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.451789466498957 (8.17785e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789466325133 (7.08966e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.451789466134469 (7.77652e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.451789465902062 (9.47908e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.451789465794777 (4.3758e-09% change) large trace change predicted (1.37995e-08%) linmin: converged after 5 iterations. iteration 1148: trace = 2.451789465456438 (1.37997e-08% change) linmin: converged after 22 iterations. iteration 1149: trace = 2.451789465165677 (1.18591e-08% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.451789464751201 (1.6905e-08% change) large trace change predicted (4.12834e-08%) linmin: converged after 20 iterations. iteration 1151: trace = 2.451789463738994 (4.12844e-08% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789463523387 (8.79385e-09% change) large trace change predicted (4.27125e-08%) linmin: converged after 7 iterations. iteration 1153: trace = 2.451789462476134 (4.27138e-08% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789461864873 (2.49312e-08% change) linmin: converged after 33 iterations. iteration 1155: trace = 2.451789461204659 (2.69278e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.451789460935516 (1.09774e-08% change) large trace change predicted (3.16184e-08%) linmin: converged after 16 iterations. iteration 1157: trace = 2.451789460160291 (3.16188e-08% change) linmin: converged after 26 iterations. iteration 1158: trace = 2.451789459934806 (9.19675e-09% change) large trace change predicted (1.87064e-08%) linmin: converged after 4 iterations. iteration 1159: trace = 2.451789459476167 (1.87063e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.451789459151386 (1.32467e-08% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.451789458887798 (1.07508e-08% change) linmin: converged after 16 iterations. iteration 1162: trace = 2.451789458797393 (3.68731e-09% change) linmin: converged after 2 iterations. iteration 1163: trace = 2.451789458716712 (3.29071e-09% change) large trace change predicted (8.21454e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.451789458515308 (8.21456e-09% change) linmin: converged after 28 iterations. iteration 1165: trace = 2.451789458457315 (2.36532e-09% change) large trace change predicted (1.35978e-08%) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789458123929 (1.35977e-08% change) linmin: converged after 2 iterations. iteration 1167: trace = 2.45178945783701 (1.17024e-08% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.451789457609028 (9.2986e-09% change) large trace change predicted (1.97294e-08%) linmin: converged after 7 iterations. iteration 1169: trace = 2.451789457125304 (1.97294e-08% change) linmin: converged after 6 iterations. iteration 1170: trace = 2.451789456375531 (3.05806e-08% change) linmin: converged after 25 iterations. iteration 1171: trace = 2.451789456195479 (7.34371e-09% change) large trace change predicted (2.14775e-08%) linmin: converged after 4 iterations. iteration 1172: trace = 2.451789455668895 (2.14775e-08% change) linmin: converged after 14 iterations. iteration 1173: trace = 2.451789455137738 (2.16641e-08% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.451789454982709 (6.32313e-09% change) large trace change predicted (1.54635e-08%) linmin: converged after 3 iterations. iteration 1175: trace = 2.451789454603575 (1.54635e-08% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.451789454303246 (1.22494e-08% change) linmin: converged after 21 iterations. iteration 1177: trace = 2.451789454212239 (3.71187e-09% change) large trace change predicted (8.45974e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.451789454004825 (8.4597e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.451789453753912 (1.02339e-08% change) linmin: converged after 18 iterations. iteration 1180: trace = 2.451789453664577 (3.64367e-09% change) large trace change predicted (9.73272e-09%) linmin: converged after 23 iterations. iteration 1181: trace = 2.451789453425953 (9.73266e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.451789453270331 (6.34725e-09% change) linmin: converged after 3 iterations. iteration 1183: trace = 2.451789453209195 (2.49353e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789453100968 (4.41423e-09% change) linmin: converged after 3 iterations. iteration 1185: trace = 2.45178945293042 (6.95604e-09% change) linmin: converged after 15 iterations. iteration 1186: trace = 2.451789452865569 (2.64506e-09% change) large trace change predicted (6.84024e-09%) linmin: converged after 2 iterations. iteration 1187: trace = 2.451789452697859 (6.84029e-09% change) linmin: converged after 17 iterations. iteration 1188: trace = 2.451789452451036 (1.00671e-08% change) linmin: converged after 5 iterations. iteration 1189: trace = 2.451789452391796 (2.41622e-09% change) resetting CG direction... linmin: converged after 18 iterations. iteration 1190: trace = 2.451789452334151 (2.35112e-09% change) large trace change predicted (9.16378e-09%) linmin: converged after 3 iterations. iteration 1191: trace = 2.451789452109475 (9.16375e-09% change) linmin: converged after 15 iterations. iteration 1192: trace = 2.451789451950074 (6.50145e-09% change) linmin: converged after 31 iterations. iteration 1193: trace = 2.451789451879825 (2.8652e-09% change) large trace change predicted (6.53685e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.451789451719554 (6.53691e-09% change) linmin: converged after 10 iterations. iteration 1195: trace = 2.45178945160773 (4.56089e-09% change) linmin: converged after 18 iterations. iteration 1196: trace = 2.451789451553128 (2.22703e-09% change) large trace change predicted (5.65989e-09%) linmin: converged after 26 iterations. iteration 1197: trace = 2.45178945141436 (5.65985e-09% change) linmin: converged after 19 iterations. iteration 1198: trace = 2.451789451241763 (7.03964e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.451789451126908 (4.68457e-09% change) large trace change predicted (9.36931e-09%) linmin: converged after 8 iterations. iteration 1200: trace = 2.45178945089719 (9.3694e-09% change) linmin: converged after 26 iterations. iteration 1201: trace = 2.451789450723077 (7.10144e-09% change) linmin: converged after 5 iterations. iteration 1202: trace = 2.451789450640961 (3.34923e-09% change) large trace change predicted (1.11309e-08%) linmin: converged after 4 iterations. iteration 1203: trace = 2.451789450368054 (1.1131e-08% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.45178945005646 (1.27088e-08% change) linmin: converged after 22 iterations. iteration 1205: trace = 2.451789449939653 (4.76417e-09% change) large trace change predicted (1.8365e-08%) linmin: converged after 10 iterations. iteration 1206: trace = 2.451789449489383 (1.83649e-08% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.451789449160268 (1.34235e-08% change) linmin: converged after 26 iterations. iteration 1208: trace = 2.451789449004344 (6.35961e-09% change) large trace change predicted (2.29834e-08%) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789448440838 (2.29835e-08% change) linmin: converged after 12 iterations. iteration 1210: trace = 2.45178944813881 (1.23187e-08% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.451789447946779 (7.83229e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789447651878 (1.2028e-08% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.451789447408313 (9.93416e-09% change) linmin: converged after 18 iterations. iteration 1214: trace = 2.45178944736742 (1.66789e-09% change) large trace change predicted (5.24522e-09%) linmin: converged after 15 iterations. iteration 1215: trace = 2.451789447238819 (5.24519e-09% change) linmin: converged after 19 iterations. iteration 1216: trace = 2.451789447156592 (3.35376e-09% change) linmin: converged after 26 iterations. iteration 1217: trace = 2.45178944711895 (1.5353e-09% change) large trace change predicted (6.89067e-09%) linmin: converged after 24 iterations. iteration 1218: trace = 2.451789446950006 (6.89064e-09% change) linmin: converged after 7 iterations. iteration 1219: trace = 2.451789446732954 (8.85277e-09% change) linmin: converged after 2 iterations. iteration 1220: trace = 2.451789446535058 (8.07151e-09% change) linmin: converged after 24 iterations. iteration 1221: trace = 2.451789446293877 (9.83693e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.451789445815967 (1.94923e-08% change) linmin: converged after 6 iterations. iteration 1223: trace = 2.451789445384576 (1.7595e-08% change) linmin: converged after 24 iterations. iteration 1224: trace = 2.451789445221217 (6.66282e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789444930302 (1.18654e-08% change) large trace change predicted (2.38292e-08%) linmin: converged after 9 iterations. iteration 1226: trace = 2.451789444346066 (2.3829e-08% change) linmin: converged after 24 iterations. iteration 1227: trace = 2.451789444229092 (4.77096e-09% change) large trace change predicted (2.11461e-08%) linmin: converged after 11 iterations. iteration 1228: trace = 2.451789443710641 (2.11458e-08% change) linmin: converged after 27 iterations. iteration 1229: trace = 2.451789443500719 (8.562e-09% change) linmin: converged after 12 iterations. iteration 1230: trace = 2.451789443342569 (6.45041e-09% change) linmin: converged after 20 iterations. iteration 1231: trace = 2.45178944317527 (6.82353e-09% change) linmin: converged after 3 iterations. iteration 1232: trace = 2.451789443052179 (5.02047e-09% change) linmin: converged after 3 iterations. iteration 1233: trace = 2.451789443001578 (2.06383e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.451789442926398 (3.06634e-09% change) linmin: converged after 2 iterations. iteration 1235: trace = 2.451789442781727 (5.90063e-09% change) linmin: converged after 36 iterations. iteration 1236: trace = 2.451789442737156 (1.81786e-09% change) large trace change predicted (1.20492e-08%) linmin: converged after 13 iterations. iteration 1237: trace = 2.451789442441735 (1.20492e-08% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789442200093 (9.85575e-09% change) linmin: converged after 23 iterations. iteration 1239: trace = 2.451789441987182 (8.6839e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.451789441667105 (1.30548e-08% change) linmin: converged after 7 iterations. iteration 1241: trace = 2.451789441241778 (1.73476e-08% change) linmin: converged after 13 iterations. iteration 1242: trace = 2.451789441091672 (6.12231e-09% change) large trace change predicted (1.68267e-08%) linmin: converged after 4 iterations. iteration 1243: trace = 2.451789440679111 (1.68269e-08% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789440433159 (1.00315e-08% change) linmin: converged after 21 iterations. iteration 1245: trace = 2.451789440332957 (4.0869e-09% change) large trace change predicted (1.06262e-08%) linmin: converged after 7 iterations. iteration 1246: trace = 2.451789440072424 (1.06262e-08% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.451789439816958 (1.04196e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.451789439638582 (7.27534e-09% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.451789439544426 (3.84027e-09% change) large trace change predicted (1.204e-08%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789439249227 (1.20402e-08% change) linmin: converged after 15 iterations. iteration 1251: trace = 2.451789439129806 (4.87078e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.451789438969213 (6.55003e-09% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.451789438735243 (9.5428e-09% change) linmin: converged after 2 iterations. iteration 1254: trace = 2.451789438648958 (3.51929e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.4517894385467 (4.17074e-09% change) large trace change predicted (9.20671e-09%) linmin: converged after 26 iterations. iteration 1256: trace = 2.45178943832097 (9.20673e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.451789438226698 (3.84503e-09% change) large trace change predicted (1.40748e-08%) linmin: converged after 4 iterations. iteration 1258: trace = 2.451789437881618 (1.40746e-08% change) large trace change predicted (1.02602e-07%) linmin: converged after 10 iterations. iteration 1259: trace = 2.451789435366005 (1.02603e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789433878098 (6.06866e-08% change) linmin: converged after 7 iterations. iteration 1261: trace = 2.451789433256536 (2.53514e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.451789433047301 (8.53395e-09% change) linmin: converged after 6 iterations. iteration 1263: trace = 2.451789432970581 (3.12916e-09% change) linmin: converged after 21 iterations. iteration 1264: trace = 2.451789432843702 (5.17495e-09% change) linmin: converged after 24 iterations. iteration 1265: trace = 2.451789432739367 (4.25545e-09% change) linmin: converged after 22 iterations. iteration 1266: trace = 2.451789432623807 (4.71331e-09% change) linmin: converged after 21 iterations. iteration 1267: trace = 2.451789432576843 (1.91547e-09% change) large trace change predicted (5.83693e-09%) linmin: converged after 4 iterations. iteration 1268: trace = 2.451789432433737 (5.83683e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789432391423 (1.72583e-09% change) large trace change predicted (5.45718e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.451789432257627 (5.45706e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.451789432155805 (4.15297e-09% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.451789432106585 (2.00752e-09% change) large trace change predicted (5.58408e-09%) linmin: converged after 9 iterations. iteration 1273: trace = 2.451789431969674 (5.58412e-09% change) linmin: converged after 21 iterations. iteration 1274: trace = 2.451789431830889 (5.66054e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789431776769 (2.2074e-09% change) large trace change predicted (6.62686e-09%) linmin: converged after 4 iterations. iteration 1276: trace = 2.451789431614293 (6.62681e-09% change) linmin: converged after 6 iterations. iteration 1277: trace = 2.451789431420385 (7.90887e-09% change) linmin: converged after 24 iterations. iteration 1278: trace = 2.451789431314295 (4.32702e-09% change) linmin: converged after 21 iterations. iteration 1279: trace = 2.451789431150426 (6.68365e-09% change) linmin: converged after 17 iterations. iteration 1280: trace = 2.451789431008692 (5.78085e-09% change) linmin: converged after 21 iterations. iteration 1281: trace = 2.451789430897196 (4.54754e-09% change) linmin: converged after 19 iterations. iteration 1282: trace = 2.451789430809749 (3.56668e-09% change) linmin: converged after 23 iterations. iteration 1283: trace = 2.451789430674089 (5.53308e-09% change) linmin: converged after 7 iterations. iteration 1284: trace = 2.451789430653522 (8.38843e-10% change) large trace change predicted (2.42467e-09%) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789430594074 (2.42468e-09% change) linmin: converged after 22 iterations. iteration 1286: trace = 2.451789430545888 (1.96535e-09% change) linmin: converged after 4 iterations. iteration 1287: trace = 2.451789430482413 (2.58893e-09% change) linmin: converged after 13 iterations. iteration 1288: trace = 2.451789430463206 (7.83399e-10% change) large trace change predicted (2.52053e-09%) linmin: converged after 26 iterations. iteration 1289: trace = 2.451789430401406 (2.5206e-09% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789430305257 (3.92158e-09% change) linmin: converged after 21 iterations. iteration 1291: trace = 2.451789430266636 (1.5752e-09% change) large trace change predicted (4.75857e-09%) linmin: converged after 3 iterations. iteration 1292: trace = 2.451789430149964 (4.75865e-09% change) linmin: converged after 27 iterations. iteration 1293: trace = 2.451789430024553 (5.11509e-09% change) linmin: converged after 12 iterations. iteration 1294: trace = 2.451789429962301 (2.53904e-09% change) linmin: converged after 4 iterations. iteration 1295: trace = 2.451789429845037 (4.78281e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.45178942967521 (6.92665e-09% change) linmin: converged after 22 iterations. iteration 1297: trace = 2.451789429603708 (2.91632e-09% change) large trace change predicted (8.59973e-09%) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789429392857 (8.5999e-09% change) linmin: converged after 31 iterations. iteration 1299: trace = 2.451789429256205 (5.57356e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789429222892 (1.35872e-09% change) linmin: converged after 5 iterations. iteration 1301: trace = 2.451789429170611 (2.13234e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789429130043 (1.65465e-09% change) linmin: converged after 17 iterations. iteration 1303: trace = 2.451789429119601 (4.25888e-10% change) large trace change predicted (1.07072e-09%) linmin: converged after 2 iterations. iteration 1304: trace = 2.45178942909335 (1.07067e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.451789429051677 (1.69973e-09% change) linmin: converged after 10 iterations. iteration 1306: trace = 2.451789429038133 (5.52406e-10% change) large trace change predicted (2.85414e-09%) linmin: converged after 4 iterations. iteration 1307: trace = 2.451789428968158 (2.85404e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.451789428904058 (2.61439e-09% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.451789428839541 (2.63144e-09% change) linmin: converged after 7 iterations. iteration 1310: trace = 2.451789428783396 (2.28997e-09% change) large trace change predicted (6.34187e-09%) linmin: converged after 21 iterations. iteration 1311: trace = 2.451789428627906 (6.34187e-09% change) linmin: converged after 6 iterations. iteration 1312: trace = 2.451789428579326 (1.98142e-09% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.451789428516601 (2.55833e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.451789428410657 (4.32111e-09% change) linmin: converged after 5 iterations. iteration 1315: trace = 2.451789428382971 (1.12919e-09% change) large trace change predicted (3.50463e-09%) linmin: converged after 25 iterations. iteration 1316: trace = 2.451789428297045 (3.50462e-09% change) linmin: converged after 16 iterations. iteration 1317: trace = 2.451789428229989 (2.73497e-09% change) linmin: converged after 3 iterations. iteration 1318: trace = 2.451789428206863 (9.43263e-10% change) linmin: converged after 2 iterations. iteration 1319: trace = 2.451789428162945 (1.79124e-09% change) linmin: converged after 21 iterations. iteration 1320: trace = 2.451789428107597 (2.25748e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.451789428079873 (1.13075e-09% change) linmin: converged after 2 iterations. iteration 1322: trace = 2.451789428055299 (1.00229e-09% change) linmin: converged after 6 iterations. iteration 1323: trace = 2.45178942802734 (1.14033e-09% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.451789428007094 (8.25802e-10% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.451789427995403 (4.76821e-10% change) large trace change predicted (1.59393e-09%) linmin: converged after 9 iterations. iteration 1326: trace = 2.451789427956322 (1.59397e-09% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.451789427914213 (1.71748e-09% change) linmin: converged after 7 iterations. iteration 1328: trace = 2.451789427885572 (1.16819e-09% change) linmin: converged after 2 iterations. iteration 1329: trace = 2.451789427860202 (1.03473e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1330: trace = 2.451789427837171 (9.39369e-10% change) linmin: converged after 5 iterations. iteration 1331: trace = 2.451789427813297 (9.73747e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.451789427779709 (1.36991e-09% change) linmin: converged after 6 iterations. iteration 1333: trace = 2.451789427758982 (8.45382e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.451789427739425 (7.9769e-10% change) linmin: converged after 18 iterations. iteration 1335: trace = 2.451789427713917 (1.04038e-09% change) linmin: converged after 16 iterations. iteration 1336: trace = 2.451789427699441 (5.90425e-10% change) linmin: converged after 20 iterations. iteration 1337: trace = 2.45178942767709 (9.11602e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.45178942763282 (1.80562e-09% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.451789427621961 (4.42896e-10% change) large trace change predicted (1.8204e-09%) linmin: converged after 7 iterations. iteration 1340: trace = 2.451789427577328 (1.82041e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789427541467 (1.46267e-09% change) linmin: converged after 11 iterations. iteration 1342: trace = 2.451789427520964 (8.36253e-10% change) large trace change predicted (1.73539e-09%) linmin: converged after 30 iterations. iteration 1343: trace = 2.451789427478416 (1.73539e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.451789427413101 (2.66395e-09% change) linmin: converged after 16 iterations. iteration 1345: trace = 2.45178942739219 (8.52898e-10% change) large trace change predicted (3.48547e-09%) linmin: converged after 21 iterations. iteration 1346: trace = 2.451789427306734 (3.48544e-09% change) linmin: converged after 18 iterations. iteration 1347: trace = 2.451789427233634 (2.9815e-09% change) linmin: converged after 8 iterations. iteration 1348: trace = 2.451789427203547 (1.22716e-09% change) large trace change predicted (4.76998e-09%) linmin: converged after 8 iterations. iteration 1349: trace = 2.451789427086593 (4.77013e-09% change) linmin: converged after 3 iterations. iteration 1350: trace = 2.451789427029377 (2.33366e-09% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.451789426949519 (3.25711e-09% change) linmin: converged after 11 iterations. iteration 1352: trace = 2.451789426938215 (4.61063e-10% change) large trace change predicted (1.99861e-09%) linmin: converged after 20 iterations. iteration 1353: trace = 2.451789426889213 (1.99863e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.451789426874615 (5.95406e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.451789426861922 (5.17684e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.451789426839075 (9.3187e-10% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.451789426822449 (6.78109e-10% change) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789426800897 (8.79035e-10% change) large trace change predicted (1.82979e-09%) linmin: converged after 16 iterations. iteration 1359: trace = 2.451789426756036 (1.82972e-09% change) linmin: converged after 22 iterations. iteration 1360: trace = 2.451789426687717 (2.78648e-09% change) linmin: converged after 20 iterations. iteration 1361: trace = 2.451789426665331 (9.13033e-10% change) large trace change predicted (3.55266e-09%) linmin: converged after 4 iterations. iteration 1362: trace = 2.451789426578227 (3.55269e-09% change) linmin: converged after 16 iterations. iteration 1363: trace = 2.451789426483567 (3.86085e-09% change) linmin: converged after 7 iterations. iteration 1364: trace = 2.451789426448853 (1.41586e-09% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.451789426396778 (2.12395e-09% change) large trace change predicted (4.86206e-09%) linmin: converged after 4 iterations. iteration 1366: trace = 2.451789426277574 (4.86193e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.45178942617991 (3.98336e-09% change) linmin: converged after 13 iterations. iteration 1368: trace = 2.451789426157195 (9.26473e-10% change) large trace change predicted (2.34013e-09%) linmin: converged after 21 iterations. iteration 1369: trace = 2.451789426099818 (2.3402e-09% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.45178942606264 (1.51637e-09% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.451789426053544 (3.70988e-10% change) large trace change predicted (8.90213e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.451789426031716 (8.90283e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789426013754 (7.32629e-10% change) linmin: converged after 4 iterations. iteration 1374: trace = 2.451789426007426 (2.5809e-10% change) large trace change predicted (1.31908e-09%) linmin: converged after 4 iterations. iteration 1375: trace = 2.451789425975084 (1.31911e-09% change) linmin: converged after 22 iterations. iteration 1376: trace = 2.451789425925529 (2.02118e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789425903246 (9.08867e-10% change) large trace change predicted (2.20418e-09%) linmin: converged after 6 iterations. iteration 1378: trace = 2.451789425849205 (2.20415e-09% change) linmin: converged after 2 iterations. iteration 1379: trace = 2.451789425776035 (2.98435e-09% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.45178942575533 (8.44476e-10% change) large trace change predicted (4.19777e-09%) linmin: converged after 5 iterations. iteration 1381: trace = 2.451789425652413 (4.19762e-09% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.451789425595878 (2.30586e-09% change) linmin: converged after 11 iterations. iteration 1383: trace = 2.451789425563314 (1.3282e-09% change) linmin: converged after 8 iterations. iteration 1384: trace = 2.451789425505613 (2.35342e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789425453373 (2.13069e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.451789425436828 (6.74795e-10% change) large trace change predicted (2.05032e-09%) linmin: converged after 18 iterations. iteration 1387: trace = 2.451789425386556 (2.05045e-09% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.451789425349372 (1.51657e-09% change) linmin: converged after 15 iterations. iteration 1389: trace = 2.451789425332057 (7.06239e-10% change) large trace change predicted (2.23419e-09%) linmin: converged after 6 iterations. iteration 1390: trace = 2.451789425277283 (2.23404e-09% change) linmin: converged after 15 iterations. iteration 1391: trace = 2.451789425231565 (1.86466e-09% change) linmin: converged after 2 iterations. iteration 1392: trace = 2.451789425218463 (5.34384e-10% change) large trace change predicted (1.21945e-09%) linmin: converged after 9 iterations. iteration 1393: trace = 2.451789425188565 (1.21945e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.451789425157625 (1.26192e-09% change) linmin: converged after 13 iterations. iteration 1395: trace = 2.451789425138586 (7.76535e-10% change) large trace change predicted (1.64594e-09%) linmin: converged after 4 iterations. iteration 1396: trace = 2.451789425098232 (1.64592e-09% change) linmin: converged after 20 iterations. iteration 1397: trace = 2.451789425038035 (2.45523e-09% change) linmin: converged after 26 iterations. iteration 1398: trace = 2.45178942495501 (3.38631e-09% change) large trace change predicted (1.41341e-08%) linmin: converged after 28 iterations. iteration 1399: trace = 2.451789424608471 (1.41341e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.451789424330125 (1.13528e-08% change) linmin: converged after 2 iterations. iteration 1401: trace = 2.451789424273012 (2.32944e-09% change) linmin: converged after 18 iterations. iteration 1402: trace = 2.45178942422672 (1.88812e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.451789424185634 (1.67575e-09% change) linmin: converged after 18 iterations. iteration 1404: trace = 2.451789424171285 (5.85245e-10% change) linmin: converged after 13 iterations. iteration 1405: trace = 2.451789424147403 (9.74073e-10% change) linmin: converged after 8 iterations. iteration 1406: trace = 2.451789424122435 (1.01836e-09% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.451789424114636 (3.18098e-10% change) large trace change predicted (1.24764e-09%) linmin: converged after 4 iterations. iteration 1408: trace = 2.451789424084049 (1.24751e-09% change) linmin: converged after 6 iterations. iteration 1409: trace = 2.451789424059581 (9.98001e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789424047643 (4.86892e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.451789424031571 (6.55504e-10% change) linmin: converged after 19 iterations. iteration 1412: trace = 2.451789424001313 (1.23416e-09% change) linmin: converged after 10 iterations. iteration 1413: trace = 2.451789423991946 (3.82018e-10% change) large trace change predicted (1.3122e-09%) linmin: converged after 4 iterations. iteration 1414: trace = 2.451789423959771 (1.31231e-09% change) linmin: converged after 4 iterations. iteration 1415: trace = 2.451789423924466 (1.43999e-09% change) linmin: converged after 15 iterations. iteration 1416: trace = 2.45178942391048 (5.70428e-10% change) large trace change predicted (1.56491e-09%) linmin: converged after 5 iterations. iteration 1417: trace = 2.451789423872111 (1.56495e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.451789423828485 (1.77934e-09% change) linmin: converged after 20 iterations. iteration 1419: trace = 2.451789423814215 (5.82039e-10% change) linmin: converged after 21 iterations. iteration 1420: trace = 2.451789423792063 (9.03506e-10% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.451789423752354 (1.61956e-09% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.451789423742226 (4.131e-10% change) large trace change predicted (1.0001e-09%) linmin: converged after 19 iterations. iteration 1423: trace = 2.451789423717707 (1.00005e-09% change) linmin: converged after 8 iterations. iteration 1424: trace = 2.451789423706942 (4.39074e-10% change) linmin: converged after 17 iterations. iteration 1425: trace = 2.451789423700462 (2.64285e-10% change) linmin: converged after 18 iterations. iteration 1426: trace = 2.451789423689513 (4.46554e-10% change) linmin: converged after 13 iterations. iteration 1427: trace = 2.451789423673482 (6.53856e-10% change) linmin: converged after 6 iterations. iteration 1428: trace = 2.451789423669334 (1.6921e-10% change) large trace change predicted (4.72408e-10%) linmin: converged after 4 iterations. iteration 1429: trace = 2.451789423657752 (4.72383e-10% change) linmin: converged after 5 iterations. iteration 1430: trace = 2.451789423642428 (6.24984e-10% change) linmin: converged after 10 iterations. iteration 1431: trace = 2.451789423630924 (4.69232e-10% change) linmin: converged after 14 iterations. iteration 1432: trace = 2.451789423615611 (6.2455e-10% change) linmin: converged after 2 iterations. iteration 1433: trace = 2.451789423588781 (1.09432e-09% change) linmin: converged after 4 iterations. iteration 1434: trace = 2.451789423564947 (9.72099e-10% change) linmin: converged after 6 iterations. iteration 1435: trace = 2.451789423526965 (1.54914e-09% change) linmin: converged after 17 iterations. iteration 1436: trace = 2.451789423512263 (5.99644e-10% change) large trace change predicted (2.27356e-09%) linmin: converged after 5 iterations. iteration 1437: trace = 2.451789423456522 (2.27349e-09% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.451789423435572 (8.54492e-10% change) linmin: converged after 23 iterations. iteration 1439: trace = 2.451789423416287 (7.86551e-10% change) linmin: converged after 11 iterations. iteration 1440: trace = 2.451789423403261 (5.31305e-10% change) linmin: converged after 6 iterations. iteration 1441: trace = 2.451789423395268 (3.25977e-10% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.451789423391876 (1.38364e-10% change) linmin: converged after 6 iterations. iteration 1443: trace = 2.45178942338634 (2.25777e-10% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.45178942338033 (2.45139e-10% change) linmin: converged after 3 iterations. iteration 1445: trace = 2.451789423375478 (1.97901e-10% change) large trace change predicted (6.00098e-10%) linmin: converged after 14 iterations. iteration 1446: trace = 2.451789423360763 (6.0017e-10% change) linmin: converged after 3 iterations. iteration 1447: trace = 2.45178942335683 (1.60426e-10% change) large trace change predicted (4.48501e-10%) linmin: converged after 15 iterations. iteration 1448: trace = 2.451789423345835 (4.4842e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.45178942332878 (6.95643e-10% change) linmin: converged after 9 iterations. iteration 1450: trace = 2.451789423320378 (3.42677e-10% change) large trace change predicted (1.0177e-09%) linmin: converged after 4 iterations. iteration 1451: trace = 2.45178942329543 (1.01754e-09% change) linmin: converged after 3 iterations. iteration 1452: trace = 2.451789423276987 (7.52245e-10% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.451789423268175 (3.59414e-10% change) large trace change predicted (8.42111e-10%) linmin: converged after 9 iterations. iteration 1454: trace = 2.451789423247528 (8.42103e-10% change) linmin: converged after 16 iterations. iteration 1455: trace = 2.451789423223894 (9.6393e-10% change) linmin: converged after 12 iterations. iteration 1456: trace = 2.451789423208913 (6.11037e-10% change) linmin: converged after 8 iterations. iteration 1457: trace = 2.451789423202641 (2.55826e-10% change) linmin: converged after 10 iterations. iteration 1458: trace = 2.451789423192569 (4.108e-10% change) linmin: converged after 7 iterations. iteration 1459: trace = 2.451789423181072 (4.68924e-10% change) linmin: converged after 15 iterations. iteration 1460: trace = 2.451789423178502 (1.04801e-10% change) large trace change predicted (3.50148e-10%) linmin: converged after 6 iterations. iteration 1461: trace = 2.451789423169914 (3.50267e-10% change) linmin: converged after 16 iterations. iteration 1462: trace = 2.451789423164941 (2.02846e-10% change) linmin: converged after 17 iterations. iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 11.323221445083618 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836223782001 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710721454537 (0.719331% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945406997686 (0.6299% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433574138305 (0.140857% change) large trace change predicted (0.375525%) linmin: converged after 10 iterations. iteration 5: trace = 2.481386186433904 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821681916148 (0.103403% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784112846906 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421556558818 (0.0954721% change) linmin: converged after 4 iterations. iteration 9: trace = 2.47247156210758 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069106423442 (0.0567389% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689347126524 (0.0153694% change) large trace change predicted (0.0415687%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653327122731 (0.0419412% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044099555911 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577470692296 (0.018901% change) linmin: converged after 3 iterations. iteration 15: trace = 2.467728690942992 (0.0343893% change) linmin: converged after 3 iterations. iteration 16: trace = 2.46745300556574 (0.0111722% change) large trace change predicted (0.040824%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432221684716 (0.0413785% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143780684861 (0.0116953% change) linmin: converged after 3 iterations. iteration 19: trace = 2.465689795665475 (0.0184104% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064631640342 (0.0253577% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844089931834 (0.00894709% change) large trace change predicted (0.0298112%) linmin: converged after 5 iterations. iteration 22: trace = 2.464107085009973 (0.0299051% change) linmin: converged after 4 iterations. iteration 23: trace = 2.463924808079277 (0.00739755% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417662980171 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917884177778 (0.0202901% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692763668878 (0.00914082% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.4620093727337 (0.0277536% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750403472557 (0.0105192% change) large trace change predicted (0.0224547%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203412627468 (0.0222221% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687193110629 (0.0209765% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471923393098 (0.00874874% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.459844983792497 (0.0254837% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427602421306 (0.0169692% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157446319106 (0.0109851% change) large trace change predicted (0.0241643%) linmin: converged after 5 iterations. iteration 35: trace = 2.458586737331902 (0.0232102% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222225323346 (0.0148272% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860085379453 (0.0147329% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513773299919 (0.014091% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457345537405587 (0.00684601% change) linmin: converged after 6 iterations. iteration 40: trace = 2.45703034207314 (0.0128275% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456937176544063 (0.00379187% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770809803269 (0.00677154% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644867623719 (0.00512646% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574907473046 (0.00284783% change) large trace change predicted (0.00678889%) linmin: converged after 4 iterations. iteration 45: trace = 2.45640989898521 (0.00671724% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322333503604 (0.00356484% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238010855364 (0.00343294% change) linmin: converged after 5 iterations. iteration 48: trace = 2.456190495724837 (0.00193449% change) large trace change predicted (0.00555259%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054376501079 (0.00554204% change) linmin: converged after 10 iterations. iteration 50: trace = 2.456008476736466 (0.00186886% change) large trace change predicted (0.00438779%) linmin: converged after 3 iterations. iteration 51: trace = 2.455900532670498 (0.0043952% change) linmin: converged after 4 iterations. iteration 52: trace = 2.455832272134057 (0.00277949% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712405685762 (0.00488101% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665064720349 (0.00192781% change) large trace change predicted (0.00469267%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549299739854 (0.00471431% change) linmin: converged after 8 iterations. iteration 56: trace = 2.455472788491667 (0.0031159% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45535529713201 (0.00478499% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455240382596921 (0.00468027% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056695397887 (0.00748171% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878903542058 (0.00724213% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746685563653 (0.00538607% change) linmin: converged after 4 iterations. iteration 62: trace = 2.454558719119076 (0.00765756% change) linmin: converged after 5 iterations. iteration 63: trace = 2.454456214757973 (0.00417617% change) large trace change predicted (0.0093065%) linmin: converged after 4 iterations. iteration 64: trace = 2.454226050106184 (0.00937786% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124993638424 (0.00411774% change) linmin: converged after 3 iterations. iteration 66: trace = 2.453937947114079 (0.00762201% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808924524141 (0.00525792% change) linmin: converged after 5 iterations. iteration 68: trace = 2.453622752439474 (0.00758735% change) linmin: converged after 8 iterations. iteration 69: trace = 2.453502290651681 (0.00490967% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453443032160796 (0.00241529% change) large trace change predicted (0.00624621%) linmin: converged after 10 iterations. iteration 71: trace = 2.453289852552315 (0.00624365% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139627224052 (0.00612361% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047589137037 (0.00375192% change) large trace change predicted (0.00966943%) linmin: converged after 4 iterations. iteration 74: trace = 2.452811120127543 (0.00964027% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613550181715 (0.00805516% change) linmin: converged after 12 iterations. iteration 76: trace = 2.452556513243382 (0.00232558% change) large trace change predicted (0.00551969%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421751157438 (0.00549491% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338171908109 (0.00340809% change) linmin: converged after 3 iterations. iteration 79: trace = 2.452304528611742 (0.0013719% change) large trace change predicted (0.00452318%) linmin: converged after 7 iterations. iteration 80: trace = 2.452193711038556 (0.00451902% change) linmin: converged after 3 iterations. iteration 81: trace = 2.45208375148069 (0.00448423% change) linmin: converged after 5 iterations. iteration 82: trace = 2.452050074217855 (0.00137342% change) large trace change predicted (0.00426051%) linmin: converged after 3 iterations. iteration 83: trace = 2.451945262619128 (0.00427454% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451876310389238 (0.00281218% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838832456642 (0.00152855% change) large trace change predicted (0.00517283%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711427988326 (0.00519642% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670646216947 (0.00166341% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615519044859 (0.00224858% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565621590008 (0.00203531% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451543027522145 (0.000921622% change) large trace change predicted (0.00192522%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495728261631 (0.00192939% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437605040677 (0.00237096% change) linmin: converged after 4 iterations. iteration 93: trace = 2.451416673918753 (0.000853834% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379894691538 (0.00150034% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451331042382565 (0.00199287% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320221847723 (0.000441416% change) large trace change predicted (0.00157851%) linmin: converged after 4 iterations. iteration 97: trace = 2.451281413782899 (0.00158316% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451252091299369 (0.00119622% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242581911746 (0.000387941% change) large trace change predicted (0.00130295%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210624800765 (0.00130372% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185412647113 (0.00102856% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451169674858531 (0.00064205% change) large trace change predicted (0.00233933%) linmin: converged after 5 iterations. iteration 103: trace = 2.451112375676283 (0.00233765% change) linmin: converged after 5 iterations. iteration 104: trace = 2.451069764357206 (0.00173846% change) linmin: converged after 3 iterations. iteration 105: trace = 2.451014350329364 (0.00226084% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936365136954 (0.0031818% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891633901529 (0.00182508% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830588419405 (0.00249078% change) linmin: converged after 4 iterations. iteration 109: trace = 2.450789777787804 (0.00166519% change) linmin: converged after 4 iterations. iteration 110: trace = 2.450776845576188 (0.000527677% change) large trace change predicted (0.0011851%) linmin: converged after 3 iterations. iteration 111: trace = 2.450747795704801 (0.00118534% change) linmin: converged after 3 iterations. iteration 112: trace = 2.45070867046777 (0.00159647% change) linmin: converged after 4 iterations. iteration 113: trace = 2.450695835826789 (0.000523713% change) large trace change predicted (0.00227204%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640084149246 (0.00227496% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616935395414 (0.000944605% change) linmin: converged after 9 iterations. iteration 116: trace = 2.45059690168018 (0.0008175% change) linmin: converged after 4 iterations. iteration 117: trace = 2.450567708239303 (0.00119129% change) linmin: converged after 10 iterations. iteration 118: trace = 2.450560050181016 (0.000312502% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544723924295 (0.00062542% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450518156850831 (0.00108414% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508153452435 (0.000408216% change) large trace change predicted (0.00138829%) linmin: converged after 7 iterations. iteration 122: trace = 2.450474160996835 (0.00138717% change) linmin: converged after 5 iterations. iteration 123: trace = 2.450413549363673 (0.0024735% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399865463202 (0.000558434% change) large trace change predicted (0.00263932%) linmin: converged after 5 iterations. iteration 125: trace = 2.450335324898945 (0.00263391% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316241452061 (0.000778813% change) large trace change predicted (0.00253213%) linmin: converged after 4 iterations. iteration 127: trace = 2.45025425553424 (0.00252974% change) linmin: converged after 5 iterations. iteration 128: trace = 2.450208223330985 (0.00187869% change) linmin: converged after 6 iterations. iteration 129: trace = 2.450190012010325 (0.000743259% change) large trace change predicted (0.00218248%) linmin: converged after 6 iterations. iteration 130: trace = 2.450136625348235 (0.0021789% change) linmin: converged after 3 iterations. iteration 131: trace = 2.45007660677115 (0.00244963% change) linmin: converged after 5 iterations. iteration 132: trace = 2.450058966325326 (0.000719998% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024373740196 (0.00141192% change) linmin: converged after 7 iterations. iteration 134: trace = 2.449978667631108 (0.00186555% change) linmin: converged after 5 iterations. iteration 135: trace = 2.449968895169002 (0.00039888% change) large trace change predicted (0.00120772%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939300285809 (0.00120798% change) linmin: converged after 5 iterations. iteration 137: trace = 2.449919722834263 (0.000799103% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912947473968 (0.000276555% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900616488089 (0.000503325% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894928085868 (0.000232189% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892297164892 (0.000107389% change) large trace change predicted (0.000347819%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883775175338 (0.000347852% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876756247481 (0.000286501% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449872120281262 (0.000189233% change) large trace change predicted (0.000699813%) linmin: converged after 3 iterations. iteration 145: trace = 2.449854947385739 (0.000700974% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848346406646 (0.000269444% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839794164459 (0.000349093% change) linmin: converged after 3 iterations. iteration 148: trace = 2.44982675320189 (0.00053232% change) linmin: converged after 3 iterations. iteration 149: trace = 2.44982009809765 (0.000271656% change) linmin: converged after 5 iterations. iteration 150: trace = 2.449813599191857 (0.000265281% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804672061759 (0.000364401% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797710245926 (0.000284179% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789793231324 (0.000323171% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775125541931 (0.000598734% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449771197568826 (0.00016034% change) large trace change predicted (0.00043704%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760491406805 (0.000437028% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754538208532 (0.000243012% change) linmin: converged after 4 iterations. iteration 158: trace = 2.44975190290616 (0.000107574% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747997430265 (0.000159423% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743927761397 (0.000166126% change) linmin: converged after 8 iterations. iteration 161: trace = 2.449742718999893 (4.93424e-05% change) large trace change predicted (0.000191012%) linmin: converged after 3 iterations. iteration 162: trace = 2.449738039373347 (0.000191025% change) linmin: converged after 3 iterations. iteration 163: trace = 2.44973159509182 (0.00026306% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729576492104 (8.24009e-05% change) large trace change predicted (0.000358109%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720797798945 (0.000358354% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449714042868065 (0.000275743% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711750524444 (9.3576e-05% change) large trace change predicted (0.000277937%) linmin: converged after 3 iterations. iteration 168: trace = 2.44970493912474 (0.000278049% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697452299737 (0.000305622% change) linmin: converged after 4 iterations. iteration 170: trace = 2.449695298508223 (8.79208e-05% change) large trace change predicted (0.000350526%) linmin: converged after 5 iterations. iteration 171: trace = 2.44968670212081 (0.000350917% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677776996352 (0.000364338% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674469734727 (0.000135008% change) large trace change predicted (0.000279896%) linmin: converged after 4 iterations. iteration 174: trace = 2.44966760675598 (0.000280159% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449659910863249 (0.000314161% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657742566564 (8.85142e-05% change) large trace change predicted (0.000235374%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651976958328 (0.000235364% change) linmin: converged after 5 iterations. iteration 178: trace = 2.449647863086536 (0.000167937% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645899921092 (8.01408e-05% change) large trace change predicted (0.000191846%) linmin: converged after 3 iterations. iteration 180: trace = 2.449641202496829 (0.00019176% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636735161266 (0.000182367% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634470661315 (9.24423e-05% change) large trace change predicted (0.000270107%) linmin: converged after 5 iterations. iteration 183: trace = 2.449627871274931 (0.000269403% change) linmin: converged after 4 iterations. iteration 184: trace = 2.449623554131188 (0.000176237% change) linmin: converged after 4 iterations. iteration 185: trace = 2.449620056907789 (0.000142766% change) large trace change predicted (0.000335748%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611849363315 (0.000335054% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608040109787 (0.000155504% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605467155713 (0.000105035% change) large trace change predicted (0.000303699%) linmin: converged after 4 iterations. iteration 189: trace = 2.449598032848582 (0.00030349% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593219874764 (0.00019648% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588354301449 (0.000198628% change) large trace change predicted (0.000570807%) linmin: converged after 4 iterations. iteration 192: trace = 2.449574368305194 (0.000570955% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571037661758 (0.000135968% change) large trace change predicted (0.000443751%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560154441408 (0.000444292% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553072147829 (0.000289126% change) linmin: converged after 4 iterations. iteration 196: trace = 2.449550235492469 (0.000115803% change) linmin: converged after 5 iterations. iteration 197: trace = 2.4495459453966 (0.000175138% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540040244491 (0.000241072% change) linmin: converged after 4 iterations. iteration 199: trace = 2.449538438544594 (6.53878e-05% change) large trace change predicted (0.000254687%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532193103362 (0.000254964% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527758252526 (0.000181049% change) linmin: converged after 4 iterations. iteration 202: trace = 2.449524350155484 (0.000139133% change) large trace change predicted (0.000355804%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515628717529 (0.000356047% change) linmin: converged after 3 iterations. iteration 204: trace = 2.44950434102122 (0.000460814% change) linmin: converged after 5 iterations. iteration 205: trace = 2.449499987722562 (0.000177722% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492604326722 (0.000301425% change) linmin: converged after 4 iterations. iteration 207: trace = 2.44948359743051 (0.000367705% change) linmin: converged after 4 iterations. iteration 208: trace = 2.449477982953384 (0.000229211% change) large trace change predicted (0.000702352%) linmin: converged after 12 iterations. iteration 209: trace = 2.449460783306508 (0.000702178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449456833401014 (0.000161256% change) linmin: converged after 3 iterations. iteration 211: trace = 2.44945356137018 (0.000133582% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449447706901437 (0.000239012% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449445022868559 (0.000109577% change) linmin: converged after 4 iterations. iteration 214: trace = 2.449441809454352 (0.00013119% change) linmin: converged after 3 iterations. iteration 215: trace = 2.449436494333873 (0.000216993% change) linmin: converged after 4 iterations. iteration 216: trace = 2.449435634144355 (3.51179e-05% change) large trace change predicted (0.000115454%) linmin: converged after 7 iterations. iteration 217: trace = 2.449432806490806 (0.000115441% change) linmin: converged after 5 iterations. iteration 218: trace = 2.449430943565843 (7.60554e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430283245927 (2.69581e-05% change) large trace change predicted (7.00848e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.4494285668072 (7.0075e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426521749749 (8.34912e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.449425564425491 (3.90836e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.449424332606356 (5.02901e-05% change) large trace change predicted (0.000110628%) linmin: converged after 4 iterations. iteration 224: trace = 2.449421624089753 (0.000110578% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449420972287295 (2.66105e-05% change) large trace change predicted (0.000117549%) linmin: converged after 3 iterations. iteration 226: trace = 2.44941809362175 (0.000117524% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449415830015894 (9.24141e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449414718488296 (4.53793e-05% change) large trace change predicted (0.000115058%) linmin: converged after 4 iterations. iteration 229: trace = 2.44941189853066 (0.000115128% change) linmin: converged after 3 iterations. iteration 230: trace = 2.44940933423477 (0.00010469% change) linmin: converged after 3 iterations. iteration 231: trace = 2.449408340684099 (4.05629e-05% change) large trace change predicted (8.16384e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.449406340469369 (8.16612e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405028464091 (5.35642e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404092537489 (3.82104e-05% change) large trace change predicted (8.28283e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.44940206187908 (8.29042e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449399970633329 (8.53778e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.449399438628353 (2.17198e-05% change) large trace change predicted (4.51547e-05%) linmin: converged after 5 iterations. iteration 238: trace = 2.449398332309524 (4.5167e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397249574377 (4.42041e-05% change) linmin: converged after 17 iterations. iteration 240: trace = 2.449396918889177 (1.35007e-05% change) large trace change predicted (4.03617e-05%) linmin: converged after 4 iterations. iteration 241: trace = 2.449395930071235 (4.03699e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.449395427205492 (2.05302e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.449394631572639 (3.24828e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.449393535117366 (4.47643e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449392892400704 (2.62398e-05% change) large trace change predicted (5.28152e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391598931955 (5.28077e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.449389530665272 (8.44401e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.449389083026784 (1.82755e-05% change) large trace change predicted (4.96657e-05%) linmin: converged after 3 iterations. iteration 249: trace = 2.449387866663815 (4.96599e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 2.449386564837664 (5.31491e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.449385904981976 (2.69396e-05% change) large trace change predicted (6.63516e-05%) linmin: converged after 4 iterations. iteration 252: trace = 2.449384280072972 (6.63395e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449382919473211 (5.55487e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.44938248846367 (1.75967e-05% change) large trace change predicted (3.57597e-05%) linmin: converged after 3 iterations. iteration 255: trace = 2.449381612567119 (3.57599e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380478365786 (4.63056e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.44938005351113 (1.73454e-05% change) large trace change predicted (4.27343e-05%) linmin: converged after 8 iterations. iteration 258: trace = 2.449379006781027 (4.27345e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378058758882 (3.87046e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.44937765001109 (1.66878e-05% change) linmin: converged after 7 iterations. iteration 261: trace = 2.449376845670606 (3.28386e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.449375720676586 (4.59298e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.449375362732151 (1.46137e-05% change) large trace change predicted (6.46068e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373780814214 (6.45846e-05% change) linmin: converged after 6 iterations. iteration 265: trace = 2.449372755734355 (4.18507e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371792432491 (3.93285e-05% change) large trace change predicted (8.58709e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.449369690449359 (8.58173e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449368874852692 (3.32982e-05% change) linmin: converged after 9 iterations. iteration 269: trace = 2.449367793256231 (4.41582e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366630582098 (4.74683e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366243658539 (1.57969e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.44936563589116 (2.48133e-05% change) large trace change predicted (5.39394e-05%) linmin: converged after 4 iterations. iteration 273: trace = 2.449364314802962 (5.39359e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.449363950319062 (1.48808e-05% change) large trace change predicted (4.77899e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.44936277967462 (4.77938e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.449361829792793 (3.87808e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.449361467655149 (1.4785e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.449360860224534 (2.47996e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.449360329464341 (2.16693e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.449360193325828 (5.55813e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.44935994618302 (1.00901e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.449359517939592 (1.74839e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.449359305809744 (8.66063e-06% change) large trace change predicted (2.59609e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.449358669905291 (2.59621e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.449357632577434 (4.2351e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.449357341680221 (1.18765e-05% change) large trace change predicted (3.95153e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.449356373621772 (3.9523e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449355959338408 (1.6914e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.44935569552776 (1.07706e-05% change) large trace change predicted (3.00168e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449354960250441 (3.00192e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.449354411930939 (2.23863e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353722148272 (2.81618e-05% change) linmin: converged after 4 iterations. iteration 293: trace = 2.449352721232571 (4.08645e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.449351915117644 (3.29114e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351557043779 (1.46191e-05% change) large trace change predicted (3.86143e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350611060736 (3.86218e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.449350207537366 (1.64747e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.449349864380816 (1.40101e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349481121152 (1.56474e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.449349187572277 (1.19848e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348824996862 (1.48029e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.449348207170472 (2.52241e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347842976861 (1.4869e-05% change) linmin: converged after 10 iterations. iteration 304: trace = 2.449347307150961 (2.18763e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.449346702238563 (2.46969e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.449346058070105 (2.62996e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.449345847039887 (8.61578e-06% change) large trace change predicted (3.02896e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.449345104999269 (3.02955e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.449344654488271 (1.83931e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.449344396125454 (1.05482e-05% change) large trace change predicted (2.61846e-05%) linmin: converged after 4 iterations. iteration 311: trace = 2.449343754628772 (2.61905e-05% change) linmin: converged after 5 iterations. iteration 312: trace = 2.449343060104885 (2.83555e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342746894462 (1.27875e-05% change) large trace change predicted (3.15839e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449341973236189 (3.15864e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.449341668470169 (1.24428e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341323890793 (1.40682e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.449340724041253 (2.44902e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340627848021 (3.92731e-06% change) large trace change predicted (1.54826e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.449340248658823 (1.54813e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339906894235 (1.39533e-05% change) linmin: converged after 12 iterations. iteration 321: trace = 2.44933971144219 (7.97978e-06% change) large trace change predicted (1.99027e-05%) linmin: converged after 5 iterations. iteration 322: trace = 2.449339224131502 (1.98956e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.449338376540003 (3.46049e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.449338127844788 (1.01536e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.44933764652807 (1.96509e-05% change) linmin: converged after 5 iterations. iteration 326: trace = 2.449336972861738 (2.7504e-05% change) linmin: converged after 3 iterations. iteration 327: trace = 2.449336737184612 (9.62208e-06% change) large trace change predicted (2.5633e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.449336109518837 (2.5626e-05% change) linmin: converged after 6 iterations. iteration 329: trace = 2.449334963984735 (4.67692e-05% change) linmin: converged after 5 iterations. iteration 330: trace = 2.44933466764013 (1.2099e-05% change) large trace change predicted (4.6207e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.44933353585055 (4.62081e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332528715524 (4.11187e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.44933215481141 (1.52656e-05% change) large trace change predicted (3.17647e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.44933137674793 (3.17664e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.449330585861198 (3.22899e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330374173485 (8.64268e-06% change) linmin: converged after 5 iterations. iteration 337: trace = 2.449330012869878 (1.47511e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.449329486830409 (2.14769e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.449329323158688 (6.68231e-06% change) large trace change predicted (1.97878e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328838430115 (1.97903e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328336325411 (2.04997e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328094843118 (9.85912e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932761440938 (1.96149e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.449326676215543 (3.83041e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.44932626318696 (1.68629e-05% change) large trace change predicted (3.78492e-05%) linmin: converged after 5 iterations. iteration 346: trace = 2.44932533598196 (3.78555e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324546731702 (3.22232e-05% change) linmin: converged after 4 iterations. iteration 348: trace = 2.449324227406307 (1.30373e-05% change) large trace change predicted (6.02654e-05%) linmin: converged after 5 iterations. iteration 349: trace = 2.449322750975162 (6.02791e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.449321892900501 (3.50331e-05% change) linmin: converged after 7 iterations. iteration 351: trace = 2.449321683898963 (8.53304e-06% change) large trace change predicted (2.65235e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.44932103422288 (2.65247e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.449320437074354 (2.43802e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320221649538 (8.79529e-06% change) large trace change predicted (3.12902e-05%) linmin: converged after 6 iterations. iteration 355: trace = 2.449319455292288 (3.12886e-05% change) linmin: converged after 2 iterations. iteration 356: trace = 2.4493191233144 (1.35539e-05% change) linmin: converged after 2 iterations. iteration 357: trace = 2.449318967676911 (6.35432e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318672615042 (1.20467e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.449318385140851 (1.17369e-05% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318301710792 (3.40626e-06% change) large trace change predicted (1.14743e-05%) linmin: converged after 3 iterations. iteration 361: trace = 2.449318020705964 (1.14728e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.449317813628271 (8.4545e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.449317706580891 (4.3705e-06% change) large trace change predicted (1.71581e-05%) linmin: converged after 4 iterations. iteration 364: trace = 2.449317286438743 (1.71534e-05% change) linmin: converged after 5 iterations. iteration 365: trace = 2.449317121722504 (6.72499e-06% change) large trace change predicted (1.88753e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.44931665952607 (1.88704e-05% change) linmin: converged after 5 iterations. iteration 367: trace = 2.449316284035032 (1.53304e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.44931598779728 (1.20947e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315617308174 (1.51262e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.449315100622467 (2.10951e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314966477075 (5.47685e-06% change) large trace change predicted (1.54796e-05%) linmin: converged after 4 iterations. iteration 372: trace = 2.449314587271526 (1.54821e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.449314209642466 (1.54177e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449314060042585 (6.10783e-06% change) linmin: converged after 5 iterations. iteration 375: trace = 2.44931376699174 (1.19646e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.449313392413096 (1.52932e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313196464976 (8.00012e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931311062353 (3.50472e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.449312940551659 (6.94366e-06% change) linmin: converged after 3 iterations. iteration 380: trace = 2.449312827552721 (4.6135e-06% change) linmin: converged after 6 iterations. iteration 381: trace = 2.449312747911022 (3.25159e-06% change) large trace change predicted (7.49008e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.44931256444564 (7.49048e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.44931247121995 (3.8062e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.44931233049468 (5.7455e-06% change) large trace change predicted (1.2039e-05%) linmin: converged after 4 iterations. iteration 385: trace = 2.449312035633255 (1.20385e-05% change) linmin: converged after 4 iterations. iteration 386: trace = 2.449311885456354 (6.13139e-06% change) large trace change predicted (1.24054e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.449311581661915 (1.24033e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311389087495 (7.86239e-06% change) linmin: converged after 2 iterations. iteration 389: trace = 2.449311268698603 (4.91521e-06% change) linmin: converged after 6 iterations. iteration 390: trace = 2.449311073926549 (7.95212e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.44931073475165 (1.38478e-05% change) linmin: converged after 6 iterations. iteration 392: trace = 2.449310656267942 (3.20432e-06% change) large trace change predicted (9.56188e-06%) linmin: converged after 3 iterations. iteration 393: trace = 2.44931042209365 (9.56082e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310228419627 (7.90729e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.449310150478858 (3.18215e-06% change) large trace change predicted (8.64275e-06%) linmin: converged after 11 iterations. iteration 396: trace = 2.449309938782913 (8.64308e-06% change) linmin: converged after 4 iterations. iteration 397: trace = 2.44930975921922 (7.3312e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.449309705724143 (2.18409e-06% change) large trace change predicted (8.31773e-06%) linmin: converged after 4 iterations. iteration 399: trace = 2.449309502012794 (8.31709e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309392642907 (4.46534e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.44930934131938 (2.09543e-06% change) large trace change predicted (8.87334e-06%) linmin: converged after 3 iterations. iteration 402: trace = 2.449309123997631 (8.87278e-06% change) linmin: converged after 8 iterations. iteration 403: trace = 2.449308922222955 (8.23802e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.449308823311691 (4.03833e-06% change) large trace change predicted (8.17136e-06%) linmin: converged after 8 iterations. iteration 405: trace = 2.449308623174232 (8.17118e-06% change) linmin: converged after 5 iterations. iteration 406: trace = 2.449308380629756 (9.90257e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.44930832157959 (2.41089e-06% change) large trace change predicted (9.74911e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449308082812707 (9.74834e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449307928331722 (6.30713e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449307863381324 (2.65179e-06% change) linmin: converged after 11 iterations. iteration 411: trace = 2.449307750719834 (4.59973e-06% change) linmin: converged after 9 iterations. iteration 412: trace = 2.44930759617264 (6.30983e-06% change) linmin: converged after 8 iterations. iteration 413: trace = 2.449307507967606 (3.60122e-06% change) large trace change predicted (7.30561e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.449307329057715 (7.30451e-06% change) linmin: converged after 18 iterations. iteration 415: trace = 2.449307207178362 (4.97607e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307129373056 (3.17663e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.449307006639951 (5.01093e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.449306966864445 (1.62395e-06% change) linmin: converged after 6 iterations. iteration 419: trace = 2.449306914000276 (2.15833e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.449306875380481 (1.57676e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.449306850612654 (1.01122e-06% change) large trace change predicted (3.39569e-06%) linmin: converged after 5 iterations. iteration 422: trace = 2.449306767437286 (3.39587e-06% change) linmin: converged after 5 iterations. iteration 423: trace = 2.449306675578913 (3.75038e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.449306620981348 (2.2291e-06% change) large trace change predicted (8.29323e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.449306417828372 (8.29431e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306328329006 (3.65407e-06% change) linmin: converged after 3 iterations. iteration 427: trace = 2.449306220976023 (4.383e-06% change) linmin: converged after 4 iterations. iteration 428: trace = 2.449306118848337 (4.16966e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.449306055279931 (2.59536e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.449305938052055 (4.78617e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305785141147 (6.24303e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305689851015 (3.8905e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.44930558817213 (4.15134e-06% change) large trace change predicted (8.77595e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.449305373204743 (8.77667e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305304858868 (2.79042e-06% change) large trace change predicted (6.12304e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305154891053 (6.12287e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449305036000753 (4.85404e-06% change) linmin: converged after 2 iterations. iteration 438: trace = 2.44930496041736 (3.08591e-06% change) linmin: converged after 10 iterations. iteration 439: trace = 2.449304917601723 (1.74807e-06% change) large trace change predicted (5.15328e-06%) linmin: converged after 4 iterations. iteration 440: trace = 2.449304791369659 (5.15379e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.449304741458016 (2.03779e-06% change) linmin: converged after 7 iterations. iteration 442: trace = 2.449304654473372 (3.5514e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304509184595 (5.93184e-06% change) linmin: converged after 5 iterations. iteration 444: trace = 2.449304456294106 (2.15941e-06% change) large trace change predicted (4.95564e-06%) linmin: converged after 4 iterations. iteration 445: trace = 2.449304334903203 (4.95614e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304173873083 (6.57452e-06% change) linmin: converged after 11 iterations. iteration 447: trace = 2.449304134298035 (1.61577e-06% change) large trace change predicted (5.56691e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.449303997940504 (5.56719e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303877039199 (4.93615e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303809660057 (2.75095e-06% change) linmin: converged after 15 iterations. iteration 451: trace = 2.449303703251061 (4.34446e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.449303521720978 (7.4115e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.449303479410832 (1.72744e-06% change) large trace change predicted (6.30616e-06%) linmin: converged after 4 iterations. iteration 454: trace = 2.44930332494781 (6.30641e-06% change) linmin: converged after 2 iterations. iteration 455: trace = 2.449303196299648 (5.25244e-06% change) linmin: converged after 5 iterations. iteration 456: trace = 2.44930315680863 (1.61234e-06% change) large trace change predicted (4.36591e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.449303049879013 (4.36572e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302998882024 (2.0821e-06% change) linmin: converged after 5 iterations. iteration 459: trace = 2.449302971831586 (1.10441e-06% change) large trace change predicted (2.85974e-06%) linmin: converged after 7 iterations. iteration 460: trace = 2.449302901795706 (2.85942e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302804517566 (3.97167e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.449302758683433 (1.87131e-06% change) large trace change predicted (7.37638e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.449302578077613 (7.37376e-06% change) linmin: converged after 6 iterations. iteration 464: trace = 2.449302439055304 (5.676e-06% change) linmin: converged after 4 iterations. iteration 465: trace = 2.449302385527099 (2.18545e-06% change) large trace change predicted (6.13002e-06%) linmin: converged after 10 iterations. iteration 466: trace = 2.449302235400487 (6.12936e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449302087328288 (6.04549e-06% change) linmin: converged after 11 iterations. iteration 468: trace = 2.449302021521985 (2.68674e-06% change) large trace change predicted (8.49346e-06%) linmin: converged after 3 iterations. iteration 469: trace = 2.44930181348616 (8.49368e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.449301644772229 (6.88825e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301544563133 (4.09133e-06% change) linmin: converged after 3 iterations. iteration 472: trace = 2.449301367402688 (7.2331e-06% change) linmin: converged after 8 iterations. iteration 473: trace = 2.449301158918312 (8.51199e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.449301103788178 (2.25085e-06% change) large trace change predicted (4.70311e-06%) linmin: converged after 4 iterations. iteration 475: trace = 2.449300988580139 (4.70371e-06% change) linmin: converged after 6 iterations. iteration 476: trace = 2.449300896772737 (3.74831e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.449300866357832 (1.24178e-06% change) large trace change predicted (3.92601e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.44930077018778 (3.92643e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.449300683770554 (3.52824e-06% change) linmin: converged after 4 iterations. iteration 480: trace = 2.449300656479704 (1.11423e-06% change) large trace change predicted (3.23321e-06%) linmin: converged after 2 iterations. iteration 481: trace = 2.449300577278313 (3.23363e-06% change) linmin: converged after 6 iterations. iteration 482: trace = 2.449300466061751 (4.54075e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.449300428023244 (1.55304e-06% change) large trace change predicted (7.25073e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.449300250425539 (7.25096e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.449300131892638 (4.83946e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.449300072898354 (2.40862e-06% change) large trace change predicted (8.52883e-06%) linmin: converged after 6 iterations. iteration 487: trace = 2.449299863989046 (8.52935e-06% change) linmin: converged after 3 iterations. iteration 488: trace = 2.449299665082108 (8.12097e-06% change) large trace change predicted (1.9404e-05%) linmin: converged after 3 iterations. iteration 489: trace = 2.44929918983289 (1.94035e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449298962043534 (9.30019e-06% change) linmin: converged after 9 iterations. iteration 491: trace = 2.449298755844723 (8.41869e-06% change) linmin: converged after 5 iterations. iteration 492: trace = 2.449298620798816 (5.51366e-06% change) linmin: converged after 4 iterations. iteration 493: trace = 2.449298572090829 (1.98865e-06% change) large trace change predicted (6.48881e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.449298413153169 (6.48911e-06% change) linmin: converged after 4 iterations. iteration 495: trace = 2.449298359767387 (2.17964e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.449298280489823 (3.23675e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.449298194838207 (3.49699e-06% change) linmin: converged after 12 iterations. iteration 498: trace = 2.449298140239789 (2.22915e-06% change) linmin: converged after 2 iterations. iteration 499: trace = 2.449298097612467 (1.74039e-06% change) linmin: converged after 8 iterations. iteration 500: trace = 2.449298035490159 (2.53633e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.449297992034129 (1.77422e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449297971223781 (8.49645e-07% change) large trace change predicted (1.87991e-06%) linmin: converged after 5 iterations. iteration 503: trace = 2.449297925181443 (1.87982e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.449297878139211 (1.92064e-06% change) linmin: converged after 5 iterations. iteration 505: trace = 2.449297845111048 (1.34847e-06% change) large trace change predicted (4.69833e-06%) linmin: converged after 6 iterations. iteration 506: trace = 2.449297730059884 (4.69731e-06% change) linmin: converged after 4 iterations. iteration 507: trace = 2.449297699988394 (1.22776e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.449297642199617 (2.3594e-06% change) large trace change predicted (4.81107e-06%) linmin: converged after 3 iterations. iteration 509: trace = 2.44929752438478 (4.81015e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.44929747911903 (1.84811e-06% change) large trace change predicted (3.70331e-06%) linmin: converged after 3 iterations. iteration 511: trace = 2.449297388423847 (3.70291e-06% change) linmin: converged after 3 iterations. iteration 512: trace = 2.449297301422007 (3.55211e-06% change) linmin: converged after 15 iterations. iteration 513: trace = 2.44929726710429 (1.40112e-06% change) linmin: converged after 4 iterations. iteration 514: trace = 2.449297202493594 (2.63793e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297118123978 (3.44465e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297098977328 (7.8172e-07% change) large trace change predicted (2.38664e-06%) linmin: converged after 9 iterations. iteration 517: trace = 2.449297040514986 (2.3869e-06% change) linmin: converged after 4 iterations. iteration 518: trace = 2.449296982513297 (2.3681e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449296940061365 (1.73323e-06% change) linmin: converged after 12 iterations. iteration 520: trace = 2.449296930723386 (3.81251e-07% change) large trace change predicted (1.41312e-06%) linmin: converged after 8 iterations. iteration 521: trace = 2.449296896110427 (1.41318e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.449296876492185 (8.00974e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.449296860085393 (6.69857e-07% change) large trace change predicted (1.71313e-06%) linmin: converged after 4 iterations. iteration 524: trace = 2.449296818124541 (1.71318e-06% change) linmin: converged after 7 iterations. iteration 525: trace = 2.449296788553737 (1.20732e-06% change) linmin: converged after 10 iterations. iteration 526: trace = 2.449296751865314 (1.49792e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.449296681629323 (2.8676e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.449296661715937 (8.13025e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.44929662364585 (1.55433e-06% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296567946919 (2.27408e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.449296554510048 (5.48601e-07% change) large trace change predicted (2.41023e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.449296495480694 (2.41005e-06% change) linmin: converged after 4 iterations. iteration 533: trace = 2.449296442332612 (2.16993e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.449296422451371 (8.11712e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296389842277 (1.33137e-06% change) linmin: converged after 5 iterations. iteration 536: trace = 2.449296332679542 (2.33384e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296319700671 (5.29902e-07% change) large trace change predicted (1.61254e-06%) linmin: converged after 4 iterations. iteration 538: trace = 2.449296280205539 (1.61251e-06% change) linmin: converged after 10 iterations. iteration 539: trace = 2.449296248674388 (1.28736e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.4492962396169 (3.698e-07% change) large trace change predicted (1.30988e-06%) linmin: converged after 5 iterations. iteration 541: trace = 2.449296207534937 (1.30984e-06% change) linmin: converged after 11 iterations. iteration 542: trace = 2.449296174568539 (1.34595e-06% change) linmin: converged after 5 iterations. iteration 543: trace = 2.449296165985985 (3.50409e-07% change) large trace change predicted (1.77249e-06%) linmin: converged after 4 iterations. iteration 544: trace = 2.449296122573905 (1.77243e-06% change) linmin: converged after 4 iterations. iteration 545: trace = 2.449296091985974 (1.24885e-06% change) linmin: converged after 10 iterations. iteration 546: trace = 2.449296075552141 (6.70961e-07% change) large trace change predicted (1.84229e-06%) linmin: converged after 7 iterations. iteration 547: trace = 2.449296030429687 (1.84226e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.449295973818217 (2.31134e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.449295963073737 (4.38676e-07% change) large trace change predicted (1.57194e-06%) linmin: converged after 8 iterations. iteration 550: trace = 2.449295924573315 (1.5719e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.449295901411956 (9.45633e-07% change) linmin: converged after 7 iterations. iteration 552: trace = 2.449295887073358 (5.85417e-07% change) large trace change predicted (1.17467e-06%) linmin: converged after 4 iterations. iteration 553: trace = 2.449295858302852 (1.17464e-06% change) linmin: converged after 5 iterations. iteration 554: trace = 2.449295825594148 (1.33543e-06% change) linmin: converged after 6 iterations. iteration 555: trace = 2.449295811533763 (5.74058e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449295783511515 (1.14409e-06% change) linmin: converged after 8 iterations. iteration 557: trace = 2.449295754158801 (1.19841e-06% change) linmin: converged after 16 iterations. iteration 558: trace = 2.449295746000531 (3.33086e-07% change) large trace change predicted (6.75053e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.449295729466491 (6.75053e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.449295723699159 (2.35469e-07% change) linmin: converged after 8 iterations. iteration 561: trace = 2.449295719145353 (1.85923e-07% change) large trace change predicted (7.18669e-07%) linmin: converged after 10 iterations. iteration 562: trace = 2.449295701542916 (7.18673e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.449295677695274 (9.73653e-07% change) linmin: converged after 5 iterations. iteration 564: trace = 2.449295666842978 (4.43078e-07% change) large trace change predicted (1.70343e-06%) linmin: converged after 18 iterations. iteration 565: trace = 2.4492956251186 (1.70353e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295608568285 (6.75717e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.449295588398641 (8.23488e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.449295567387004 (8.57865e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.449295556837434 (4.30719e-07% change) large trace change predicted (9.50373e-07%) linmin: converged after 6 iterations. iteration 570: trace = 2.449295533559557 (9.50391e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295498742708 (1.4215e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.449295471337947 (1.11888e-06% change) linmin: converged after 14 iterations. iteration 573: trace = 2.449295454315248 (6.95004e-07% change) large trace change predicted (1.66534e-06%) linmin: converged after 4 iterations. iteration 574: trace = 2.449295413523881 (1.66543e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.449295394090539 (7.93426e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.449295370806793 (9.5063e-07% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295350994837 (8.08884e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.449295333125299 (7.29579e-07% change) linmin: converged after 13 iterations. iteration 579: trace = 2.449295322520059 (4.32991e-07% change) large trace change predicted (1.06468e-06%) linmin: converged after 2 iterations. iteration 580: trace = 2.449295296442627 (1.06469e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.449295283122905 (5.43819e-07% change) linmin: converged after 2 iterations. iteration 582: trace = 2.449295263991757 (7.81088e-07% change) linmin: converged after 10 iterations. iteration 583: trace = 2.449295240008144 (9.79205e-07% change) linmin: converged after 16 iterations. iteration 584: trace = 2.449295227655927 (5.04317e-07% change) large trace change predicted (1.4574e-06%) linmin: converged after 4 iterations. iteration 585: trace = 2.449295191960348 (1.45738e-06% change) linmin: converged after 3 iterations. iteration 586: trace = 2.449295158881031 (1.35056e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295148138336 (4.38604e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.44929512938227 (7.65774e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.449295100364133 (1.18475e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295077814086 (9.20675e-07% change) linmin: converged after 5 iterations. iteration 591: trace = 2.449295063016357 (6.04163e-07% change) large trace change predicted (1.70647e-06%) linmin: converged after 4 iterations. iteration 592: trace = 2.449295021218325 (1.70653e-06% change) linmin: converged after 5 iterations. iteration 593: trace = 2.449294996460564 (1.01081e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.44929498378478 (5.17528e-07% change) large trace change predicted (1.04482e-06%) linmin: converged after 4 iterations. iteration 595: trace = 2.449294958194812 (1.04479e-06% change) linmin: converged after 7 iterations. iteration 596: trace = 2.449294942464789 (6.42227e-07% change) linmin: converged after 7 iterations. iteration 597: trace = 2.449294932495997 (4.07007e-07% change) linmin: converged after 5 iterations. iteration 598: trace = 2.449294920019993 (5.09371e-07% change) linmin: converged after 10 iterations. iteration 599: trace = 2.449294908978184 (4.50816e-07% change) linmin: converged after 6 iterations. iteration 600: trace = 2.44929489979332 (3.75e-07% change) large trace change predicted (1.29985e-06%) linmin: converged after 12 iterations. iteration 601: trace = 2.449294867959889 (1.2997e-06% change) linmin: converged after 4 iterations. iteration 602: trace = 2.449294840706553 (1.1127e-06% change) linmin: converged after 4 iterations. iteration 603: trace = 2.449294823564626 (6.99872e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449294793758948 (1.21691e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.449294764735275 (1.18498e-06% change) linmin: converged after 4 iterations. iteration 606: trace = 2.449294752754349 (4.89158e-07% change) large trace change predicted (1.57869e-06%) linmin: converged after 20 iterations. iteration 607: trace = 2.449294714089068 (1.57863e-06% change) linmin: converged after 5 iterations. iteration 608: trace = 2.449294678734368 (1.44346e-06% change) linmin: converged after 5 iterations. iteration 609: trace = 2.449294660647144 (7.38467e-07% change) large trace change predicted (1.52257e-06%) linmin: converged after 4 iterations. iteration 610: trace = 2.449294623353037 (1.52265e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.449294595482258 (1.13791e-06% change) linmin: converged after 7 iterations. iteration 612: trace = 2.449294572783566 (9.26744e-07% change) linmin: converged after 6 iterations. iteration 613: trace = 2.449294538089499 (1.41649e-06% change) linmin: converged after 19 iterations. iteration 614: trace = 2.449294527705394 (4.23963e-07% change) large trace change predicted (9.49395e-07%) linmin: converged after 2 iterations. iteration 615: trace = 2.449294504451907 (9.49395e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294485497237 (7.73883e-07% change) linmin: converged after 7 iterations. iteration 617: trace = 2.449294476527676 (3.6621e-07% change) linmin: converged after 5 iterations. iteration 618: trace = 2.44929446043988 (6.56834e-07% change) linmin: converged after 6 iterations. iteration 619: trace = 2.449294436000751 (9.97803e-07% change) linmin: converged after 19 iterations. iteration 620: trace = 2.449294427867938 (3.32047e-07% change) linmin: converged after 4 iterations. iteration 621: trace = 2.449294414804712 (5.33346e-07% change) large trace change predicted (1.14812e-06%) linmin: converged after 10 iterations. iteration 622: trace = 2.449294386682773 (1.14816e-06% change) linmin: converged after 3 iterations. iteration 623: trace = 2.449294368487843 (7.42864e-07% change) linmin: converged after 7 iterations. iteration 624: trace = 2.449294347157103 (8.70893e-07% change) linmin: converged after 4 iterations. iteration 625: trace = 2.449294316655181 (1.24534e-06% change) linmin: converged after 5 iterations. iteration 626: trace = 2.449294298191574 (7.53834e-07% change) linmin: converged after 5 iterations. iteration 627: trace = 2.449294268452204 (1.2142e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.449294212478974 (2.28528e-06% change) linmin: converged after 4 iterations. iteration 629: trace = 2.449294147611416 (2.64842e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.449294105642093 (1.71353e-06% change) linmin: converged after 2 iterations. iteration 631: trace = 2.449294056000651 (2.02677e-06% change) linmin: converged after 21 iterations. iteration 632: trace = 2.449294036115356 (8.11879e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.449294020774135 (6.26353e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 5 iterations. iteration 634: trace = 2.449293989823266 (1.26366e-06% change) linmin: converged after 5 iterations. iteration 635: trace = 2.449293976441921 (5.46335e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449293959433588 (6.94418e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.449293942145088 (7.05856e-07% change) linmin: converged after 9 iterations. iteration 638: trace = 2.449293935059972 (2.89272e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449293922056752 (5.30897e-07% change) linmin: converged after 5 iterations. iteration 640: trace = 2.449293909693623 (5.04763e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.449293905490843 (1.71592e-07% change) large trace change predicted (4.64502e-07%) linmin: converged after 10 iterations. iteration 642: trace = 2.44929389411432 (4.64482e-07% change) linmin: converged after 4 iterations. iteration 643: trace = 2.449293885505506 (3.51481e-07% change) linmin: converged after 4 iterations. iteration 644: trace = 2.449293872214862 (5.42632e-07% change) linmin: converged after 5 iterations. iteration 645: trace = 2.449293867163527 (2.06236e-07% change) large trace change predicted (1.04214e-06%) linmin: converged after 5 iterations. iteration 646: trace = 2.449293841640749 (1.04205e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449293834134831 (3.06452e-07% change) large trace change predicted (6.66378e-07%) linmin: converged after 7 iterations. iteration 648: trace = 2.449293817813669 (6.66362e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.449293797219437 (8.40823e-07% change) linmin: converged after 16 iterations. iteration 650: trace = 2.449293788665385 (3.49246e-07% change) large trace change predicted (7.82241e-07%) linmin: converged after 3 iterations. iteration 651: trace = 2.449293769506357 (7.82227e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.449293751428543 (7.38083e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.449293741139413 (4.20086e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.449293730736813 (4.24718e-07% change) linmin: converged after 11 iterations. iteration 655: trace = 2.449293711268567 (7.94851e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.449293707029274 (1.73082e-07% change) large trace change predicted (5.57407e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.449293693375604 (5.57453e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.449293681237842 (4.95562e-07% change) linmin: converged after 9 iterations. iteration 659: trace = 2.449293673098385 (3.32319e-07% change) linmin: converged after 14 iterations. iteration 660: trace = 2.449293670953859 (8.75569e-08% change) large trace change predicted (2.81185e-07%) linmin: converged after 16 iterations. iteration 661: trace = 2.449293664066693 (2.8119e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.449293657307526 (2.75964e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293655285726 (8.25463e-08% change) large trace change predicted (3.99534e-07%) linmin: converged after 3 iterations. iteration 664: trace = 2.449293645499768 (3.99542e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293635575063 (4.05207e-07% change) linmin: converged after 18 iterations. iteration 666: trace = 2.44929363169782 (1.583e-07% change) large trace change predicted (6.12079e-07%) linmin: converged after 15 iterations. iteration 667: trace = 2.449293616706415 (6.12071e-07% change) linmin: converged after 7 iterations. iteration 668: trace = 2.449293607473717 (3.76953e-07% change) linmin: converged after 5 iterations. iteration 669: trace = 2.449293601686425 (2.36284e-07% change) linmin: converged after 3 iterations. iteration 670: trace = 2.449293592741131 (3.65219e-07% change) linmin: converged after 10 iterations. iteration 671: trace = 2.449293586156217 (2.6885e-07% change) linmin: converged after 6 iterations. iteration 672: trace = 2.449293577520223 (3.52591e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.449293563832737 (5.58834e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.449293555680868 (3.32825e-07% change) linmin: converged after 5 iterations. iteration 675: trace = 2.44929355059821 (2.07515e-07% change) linmin: converged after 15 iterations. iteration 676: trace = 2.449293540668462 (4.05413e-07% change) linmin: converged after 7 iterations. iteration 677: trace = 2.449293532501581 (3.33438e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.449293529614579 (1.17871e-07% change) large trace change predicted (2.77486e-07%) linmin: converged after 13 iterations. iteration 679: trace = 2.449293522818142 (2.77486e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.44929351758496 (2.13661e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293514767307 (1.15039e-07% change) large trace change predicted (2.89179e-07%) linmin: converged after 3 iterations. iteration 682: trace = 2.449293507684474 (2.89179e-07% change) linmin: converged after 19 iterations. iteration 683: trace = 2.449293499046686 (3.52664e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293496326315 (1.11068e-07% change) large trace change predicted (3.85903e-07%) linmin: converged after 14 iterations. iteration 685: trace = 2.449293486874536 (3.85898e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.449293479702585 (2.92817e-07% change) linmin: converged after 6 iterations. iteration 687: trace = 2.449293476612279 (1.26171e-07% change) large trace change predicted (4.75683e-07%) linmin: converged after 9 iterations. iteration 688: trace = 2.44929346496158 (4.75676e-07% change) linmin: converged after 19 iterations. iteration 689: trace = 2.449293455826329 (3.72975e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293453603701 (9.07457e-08% change) large trace change predicted (2.01899e-07%) linmin: converged after 3 iterations. iteration 691: trace = 2.44929344865865 (2.01897e-07% change) linmin: converged after 5 iterations. iteration 692: trace = 2.449293441017769 (3.11963e-07% change) linmin: converged after 14 iterations. iteration 693: trace = 2.449293439312106 (6.9639e-08% change) large trace change predicted (3.88014e-07%) linmin: converged after 13 iterations. iteration 694: trace = 2.449293429808462 (3.88016e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.449293423730869 (2.48137e-07% change) linmin: converged after 7 iterations. iteration 696: trace = 2.449293420629979 (1.26603e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.449293415912063 (1.92624e-07% change) linmin: converged after 4 iterations. iteration 698: trace = 2.449293412433326 (1.4203e-07% change) linmin: converged after 6 iterations. iteration 699: trace = 2.449293411750081 (2.78956e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 700: trace = 2.449293411140338 (2.48946e-08% change) large trace change predicted (8.87114e-08%) linmin: converged after 5 iterations. iteration 701: trace = 2.449293408967532 (8.87115e-08% change) linmin: converged after 7 iterations. iteration 702: trace = 2.449293405174838 (1.54849e-07% change) linmin: converged after 8 iterations. iteration 703: trace = 2.449293402660708 (1.02647e-07% change) large trace change predicted (2.29789e-07%) linmin: converged after 7 iterations. iteration 704: trace = 2.449293397032493 (2.29789e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293389321189 (3.14838e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293387170937 (8.77907e-08% change) large trace change predicted (2.75883e-07%) linmin: converged after 13 iterations. iteration 707: trace = 2.449293380413677 (2.75886e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.449293376740355 (1.49975e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.449293374438893 (9.39643e-08% change) large trace change predicted (2.3725e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293368627877 (2.37253e-07% change) linmin: converged after 5 iterations. iteration 711: trace = 2.449293361874114 (2.75743e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293358047964 (1.56214e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.449293350432366 (3.1093e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.449293343172245 (2.96417e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293341495746 (6.84483e-08% change) large trace change predicted (3.32879e-07%) linmin: converged after 5 iterations. iteration 716: trace = 2.449293333342458 (3.32883e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293327903435 (2.22065e-07% change) linmin: converged after 5 iterations. iteration 718: trace = 2.449293326472478 (5.84233e-08% change) large trace change predicted (1.81779e-07%) linmin: converged after 8 iterations. iteration 719: trace = 2.449293322020201 (1.81778e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.449293317101661 (2.00815e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.449293315498709 (6.54455e-08% change) large trace change predicted (2.28961e-07%) linmin: converged after 4 iterations. iteration 722: trace = 2.449293309890793 (2.28961e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293304846273 (2.05958e-07% change) linmin: converged after 6 iterations. iteration 724: trace = 2.449293302406054 (9.96295e-08% change) large trace change predicted (3.20586e-07%) linmin: converged after 4 iterations. iteration 725: trace = 2.449293294553936 (3.20587e-07% change) linmin: converged after 16 iterations. iteration 726: trace = 2.449293286065541 (3.46565e-07% change) linmin: converged after 7 iterations. iteration 727: trace = 2.449293284358994 (6.96751e-08% change) large trace change predicted (2.39705e-07%) linmin: converged after 6 iterations. iteration 728: trace = 2.449293278487862 (2.39707e-07% change) linmin: converged after 2 iterations. iteration 729: trace = 2.449293271830818 (2.71794e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293269646035 (8.92005e-08% change) large trace change predicted (1.99113e-07%) linmin: converged after 9 iterations. iteration 731: trace = 2.44929326476915 (1.99114e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.449293256929876 (3.20063e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.449293255017268 (7.80881e-08% change) large trace change predicted (3.02027e-07%) linmin: converged after 4 iterations. iteration 734: trace = 2.449293247619684 (3.02029e-07% change) linmin: converged after 7 iterations. iteration 735: trace = 2.449293242918402 (1.91944e-07% change) linmin: converged after 4 iterations. iteration 736: trace = 2.449293239792965 (1.27606e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.449293237127113 (1.08842e-07% change) linmin: converged after 13 iterations. iteration 738: trace = 2.449293233197696 (1.60431e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293232153095 (4.26491e-08% change) large trace change predicted (1.24118e-07%) linmin: converged after 11 iterations. iteration 740: trace = 2.449293229113121 (1.24116e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.449293223275536 (2.38338e-07% change) linmin: converged after 5 iterations. iteration 742: trace = 2.449293215989949 (2.97457e-07% change) linmin: converged after 5 iterations. iteration 743: trace = 2.449293212828947 (1.29058e-07% change) large trace change predicted (3.29746e-07%) linmin: converged after 5 iterations. iteration 744: trace = 2.449293204752885 (3.2973e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293198921186 (2.38097e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.449293195926412 (1.22271e-07% change) large trace change predicted (3.28784e-07%) linmin: converged after 4 iterations. iteration 747: trace = 2.449293187873554 (3.28783e-07% change) linmin: converged after 10 iterations. iteration 748: trace = 2.44929318048013 (3.01859e-07% change) linmin: converged after 7 iterations. iteration 749: trace = 2.449293176783148 (1.50941e-07% change) large trace change predicted (3.41874e-07%) linmin: converged after 5 iterations. iteration 750: trace = 2.449293168409311 (3.41888e-07% change) linmin: converged after 6 iterations. iteration 751: trace = 2.449293161358077 (2.87889e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293158795709 (1.04617e-07% change) large trace change predicted (3.3662e-07%) linmin: converged after 5 iterations. iteration 753: trace = 2.449293150550567 (3.36634e-07% change) linmin: converged after 15 iterations. iteration 754: trace = 2.449293146104317 (1.81532e-07% change) linmin: converged after 17 iterations. iteration 755: trace = 2.449293142578431 (1.43955e-07% change) linmin: converged after 7 iterations. iteration 756: trace = 2.449293137636132 (2.01785e-07% change) linmin: converged after 3 iterations. iteration 757: trace = 2.449293134960425 (1.09244e-07% change) linmin: converged after 5 iterations. iteration 758: trace = 2.449293133890114 (4.36988e-08% change) large trace change predicted (2.12186e-07%) linmin: converged after 8 iterations. iteration 759: trace = 2.449293128692931 (2.12191e-07% change) linmin: converged after 2 iterations. iteration 760: trace = 2.44929312483052 (1.57695e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.449293122817416 (8.21912e-08% change) large trace change predicted (2.14328e-07%) linmin: converged after 18 iterations. iteration 762: trace = 2.449293117567795 (2.14332e-07% change) linmin: converged after 5 iterations. iteration 763: trace = 2.449293109478727 (3.30261e-07% change) linmin: converged after 16 iterations. iteration 764: trace = 2.449293107303254 (8.88204e-08% change) large trace change predicted (2.89887e-07%) linmin: converged after 7 iterations. iteration 765: trace = 2.449293100203215 (2.89881e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.449293092678574 (3.07217e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293089356407 (1.35638e-07% change) large trace change predicted (4.10872e-07%) linmin: converged after 4 iterations. iteration 768: trace = 2.449293079292906 (4.10874e-07% change) large trace change predicted (1.88903e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293033020493 (1.88922e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 770: trace = 2.449293017859338 (6.19001e-07% change) linmin: converged after 4 iterations. iteration 771: trace = 2.449292997335465 (8.37951e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.449292990055918 (2.9721e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.449292986875904 (1.29834e-07% change) linmin: converged after 6 iterations. iteration 774: trace = 2.44929298194117 (2.01476e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.449292977513544 (1.80772e-07% change) linmin: converged after 4 iterations. iteration 776: trace = 2.449292975985296 (6.23955e-08% change) large trace change predicted (1.40361e-07%) linmin: converged after 5 iterations. iteration 777: trace = 2.449292972547426 (1.40362e-07% change) linmin: converged after 6 iterations. iteration 778: trace = 2.449292970281747 (9.25034e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292968669508 (6.58247e-08% change) linmin: converged after 4 iterations. iteration 780: trace = 2.449292965488973 (1.29855e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.449292963452461 (8.31469e-08% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449292962030898 (5.80397e-08% change) linmin: converged after 5 iterations. iteration 783: trace = 2.449292960401037 (6.65441e-08% change) linmin: converged after 12 iterations. iteration 784: trace = 2.44929295936435 (4.2326e-08% change) linmin: converged after 3 iterations. iteration 785: trace = 2.449292957887395 (6.03013e-08% change) large trace change predicted (1.64174e-07%) linmin: converged after 7 iterations. iteration 786: trace = 2.449292953866421 (1.64169e-07% change) linmin: converged after 6 iterations. iteration 787: trace = 2.449292952324942 (6.29357e-08% change) linmin: converged after 22 iterations. iteration 788: trace = 2.449292949756055 (1.04883e-07% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292946340921 (1.39433e-07% change) linmin: converged after 12 iterations. iteration 790: trace = 2.449292943466925 (1.1734e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449292941449611 (8.23631e-08% change) large trace change predicted (1.76286e-07%) linmin: converged after 4 iterations. iteration 792: trace = 2.449292937131886 (1.76285e-07% change) linmin: converged after 6 iterations. iteration 793: trace = 2.44929293471257 (9.87761e-08% change) linmin: converged after 4 iterations. iteration 794: trace = 2.449292933570916 (4.66116e-08% change) large trace change predicted (1.0952e-07%) linmin: converged after 16 iterations. iteration 795: trace = 2.449292930888411 (1.09522e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.449292928472271 (9.86465e-08% change) linmin: converged after 9 iterations. iteration 797: trace = 2.44929292752214 (3.87921e-08% change) large trace change predicted (1.29005e-07%) linmin: converged after 5 iterations. iteration 798: trace = 2.449292924362227 (1.29013e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292922608704 (7.1593e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449292921987183 (2.53755e-08% change) linmin: converged after 4 iterations. iteration 801: trace = 2.449292920856802 (4.61513e-08% change) linmin: converged after 12 iterations. iteration 802: trace = 2.449292919242745 (6.58989e-08% change) linmin: converged after 4 iterations. iteration 803: trace = 2.449292918906371 (1.37335e-08% change) large trace change predicted (5.3093e-08%) linmin: converged after 13 iterations. iteration 804: trace = 2.449292917605954 (5.30936e-08% change) linmin: converged after 9 iterations. iteration 805: trace = 2.449292915746954 (7.58995e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292915173552 (2.34109e-08% change) large trace change predicted (1.23819e-07%) linmin: converged after 4 iterations. iteration 807: trace = 2.449292912140874 (1.23819e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292909165388 (1.21483e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.449292908355971 (3.3047e-08% change) linmin: converged after 8 iterations. iteration 810: trace = 2.449292907006068 (5.5114e-08% change) linmin: converged after 4 iterations. iteration 811: trace = 2.449292904765311 (9.14859e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449292904283508 (1.96711e-08% change) large trace change predicted (7.5548e-08%) linmin: converged after 6 iterations. iteration 813: trace = 2.449292902433123 (7.55477e-08% change) linmin: converged after 6 iterations. iteration 814: trace = 2.449292900882532 (6.33077e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449292900154227 (2.97353e-08% change) large trace change predicted (8.10514e-08%) linmin: converged after 11 iterations. iteration 816: trace = 2.44929289816905 (8.1051e-08% change) linmin: converged after 4 iterations. iteration 817: trace = 2.449292896565611 (6.54654e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292896116787 (1.83246e-08% change) large trace change predicted (6.52536e-08%) linmin: converged after 4 iterations. iteration 819: trace = 2.449292894518531 (6.52538e-08% change) linmin: converged after 4 iterations. iteration 820: trace = 2.449292893654204 (3.52888e-08% change) linmin: converged after 6 iterations. iteration 821: trace = 2.449292893082696 (2.33336e-08% change) linmin: converged after 6 iterations. iteration 822: trace = 2.449292892102284 (4.00284e-08% change) linmin: converged after 6 iterations. iteration 823: trace = 2.44929289059465 (6.15539e-08% change) linmin: converged after 5 iterations. iteration 824: trace = 2.449292890180633 (1.69035e-08% change) large trace change predicted (6.98948e-08%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929288846872 (6.98942e-08% change) linmin: converged after 4 iterations. iteration 826: trace = 2.449292887120091 (5.5062e-08% change) linmin: converged after 6 iterations. iteration 827: trace = 2.449292885710225 (5.75621e-08% change) linmin: converged after 2 iterations. iteration 828: trace = 2.449292884715976 (4.05933e-08% change) large trace change predicted (8.82631e-08%) linmin: converged after 6 iterations. iteration 829: trace = 2.449292882554172 (8.82624e-08% change) linmin: converged after 7 iterations. iteration 830: trace = 2.449292882047176 (2.06997e-08% change) linmin: converged after 16 iterations. iteration 831: trace = 2.44929288114976 (3.66398e-08% change) linmin: converged after 16 iterations. iteration 832: trace = 2.449292879853422 (5.2927e-08% change) linmin: converged after 7 iterations. iteration 833: trace = 2.449292879303432 (2.24551e-08% change) large trace change predicted (4.5898e-08%) linmin: converged after 4 iterations. iteration 834: trace = 2.449292878179263 (4.58977e-08% change) linmin: converged after 8 iterations. iteration 835: trace = 2.449292876556131 (6.62694e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292875733296 (3.35948e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.449292875150569 (2.37917e-08% change) linmin: converged after 4 iterations. iteration 838: trace = 2.449292874393678 (3.09024e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.449292874080253 (1.27965e-08% change) resetting CG direction... linmin: converged after 21 iterations. iteration 840: trace = 2.449292873967415 (4.60697e-09% change) large trace change predicted (1.69055e-08%) linmin: converged after 17 iterations. iteration 841: trace = 2.44929287355335 (1.69055e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.44929287306852 (1.97947e-08% change) linmin: converged after 7 iterations. iteration 843: trace = 2.449292872508723 (2.28555e-08% change) large trace change predicted (4.9977e-08%) linmin: converged after 9 iterations. iteration 844: trace = 2.449292871284631 (4.99774e-08% change) linmin: converged after 21 iterations. iteration 845: trace = 2.449292870579088 (2.8806e-08% change) linmin: converged after 13 iterations. iteration 846: trace = 2.449292869672021 (3.70338e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292868796988 (3.57259e-08% change) linmin: converged after 6 iterations. iteration 848: trace = 2.449292868026058 (3.14756e-08% change) linmin: converged after 5 iterations. iteration 849: trace = 2.449292867457215 (2.32248e-08% change) large trace change predicted (4.70101e-08%) linmin: converged after 10 iterations. iteration 850: trace = 2.449292866305782 (4.70108e-08% change) linmin: converged after 8 iterations. iteration 851: trace = 2.449292865714547 (2.4139e-08% change) large trace change predicted (6.01496e-08%) linmin: converged after 12 iterations. iteration 852: trace = 2.449292864241292 (6.01502e-08% change) linmin: converged after 4 iterations. iteration 853: trace = 2.449292863098565 (4.66554e-08% change) linmin: converged after 4 iterations. iteration 854: trace = 2.449292862614544 (1.97616e-08% change) large trace change predicted (3.99072e-08%) linmin: converged after 4 iterations. iteration 855: trace = 2.449292861637095 (3.99074e-08% change) linmin: converged after 10 iterations. iteration 856: trace = 2.449292860121806 (6.18664e-08% change) linmin: converged after 16 iterations. iteration 857: trace = 2.449292859769265 (1.43936e-08% change) large trace change predicted (3.14806e-08%) linmin: converged after 4 iterations. iteration 858: trace = 2.449292858998214 (3.14805e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.449292858159179 (3.42562e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292857763835 (1.61411e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.449292857082745 (2.78076e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929285597718 (4.51381e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292855555715 (1.72077e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.449292854812911 (3.03273e-08% change) large trace change predicted (6.69542e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.449292853173 (6.69545e-08% change) linmin: converged after 6 iterations. iteration 866: trace = 2.449292851727355 (5.9023e-08% change) linmin: converged after 22 iterations. iteration 867: trace = 2.449292851389133 (1.3809e-08% change) large trace change predicted (4.38061e-08%) linmin: converged after 9 iterations. iteration 868: trace = 2.449292850316193 (4.38061e-08% change) linmin: converged after 3 iterations. iteration 869: trace = 2.449292849136188 (4.81774e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.449292848822578 (1.28041e-08% change) large trace change predicted (4.5316e-08%) linmin: converged after 6 iterations. iteration 871: trace = 2.449292847712644 (4.53165e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292846443147 (5.18312e-08% change) linmin: converged after 6 iterations. iteration 873: trace = 2.449292845748386 (2.83658e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292845007645 (3.0243e-08% change) linmin: converged after 8 iterations. iteration 875: trace = 2.449292843850388 (4.72486e-08% change) linmin: converged after 4 iterations. iteration 876: trace = 2.449292843117773 (2.99113e-08% change) linmin: converged after 3 iterations. iteration 877: trace = 2.449292842599656 (2.11537e-08% change) linmin: converged after 4 iterations. iteration 878: trace = 2.449292841835009 (3.12191e-08% change) linmin: converged after 24 iterations. iteration 879: trace = 2.449292841435062 (1.63291e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292841175833 (1.05839e-08% change) large trace change predicted (4.84804e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.449292839988434 (4.84793e-08% change) linmin: converged after 6 iterations. iteration 882: trace = 2.449292839130921 (3.50106e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.449292838172862 (3.91157e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.4492928368989 (5.20135e-08% change) linmin: converged after 6 iterations. iteration 885: trace = 2.449292835283679 (6.59464e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292834895996 (1.58284e-08% change) large trace change predicted (6.78066e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.449292833235237 (6.78056e-08% change) linmin: converged after 7 iterations. iteration 888: trace = 2.449292832369222 (3.53578e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.449292831384404 (4.02083e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.449292830191172 (4.87174e-08% change) linmin: converged after 4 iterations. iteration 891: trace = 2.449292829316749 (3.5701e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.449292828219289 (4.48072e-08% change) linmin: converged after 2 iterations. iteration 893: trace = 2.449292826985967 (5.03542e-08% change) linmin: converged after 15 iterations. iteration 894: trace = 2.449292826584196 (1.64036e-08% change) large trace change predicted (4.22061e-08%) linmin: converged after 4 iterations. iteration 895: trace = 2.449292825550431 (4.22066e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.449292824858348 (2.82565e-08% change) linmin: converged after 4 iterations. iteration 897: trace = 2.449292824362147 (2.0259e-08% change) linmin: converged after 9 iterations. iteration 898: trace = 2.449292824113142 (1.01664e-08% change) large trace change predicted (3.98197e-08%) linmin: converged after 5 iterations. iteration 899: trace = 2.449292823137826 (3.98203e-08% change) linmin: converged after 4 iterations. iteration 900: trace = 2.449292822549128 (2.40354e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.449292822024046 (2.14381e-08% change) linmin: converged after 2 iterations. iteration 902: trace = 2.449292821063121 (3.92327e-08% change) linmin: converged after 5 iterations. iteration 903: trace = 2.44929281949104 (6.41851e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292819103697 (1.58145e-08% change) large trace change predicted (6.34558e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.449292817549491 (6.34553e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.449292816251781 (5.29831e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.449292815514756 (3.00913e-08% change) large trace change predicted (9.99597e-08%) linmin: converged after 6 iterations. iteration 908: trace = 2.449292813066457 (9.99594e-08% change) large trace change predicted (2.32544e-07%) linmin: converged after 2 iterations. iteration 909: trace = 2.44929280737074 (2.32545e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292804767744 (1.06275e-07% change) linmin: converged after 2 iterations. iteration 911: trace = 2.449292802463312 (9.40856e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292800963751 (6.12242e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.4492928003545 (2.48746e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.449292799184187 (4.77817e-08% change) linmin: converged after 12 iterations. iteration 915: trace = 2.449292798406269 (3.17609e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292798101766 (1.24323e-08% change) large trace change predicted (2.81206e-08%) linmin: converged after 5 iterations. iteration 917: trace = 2.449292797412998 (2.81211e-08% change) linmin: converged after 5 iterations. iteration 918: trace = 2.449292796953241 (1.8771e-08% change) linmin: converged after 24 iterations. iteration 919: trace = 2.449292796599247 (1.44529e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.449292796051903 (2.2347e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292795842403 (8.55347e-09% change) linmin: converged after 3 iterations. iteration 922: trace = 2.449292795507014 (1.36933e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292795126459 (1.55373e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292794644464 (1.96789e-08% change) linmin: converged after 17 iterations. iteration 925: trace = 2.449292794445311 (8.13106e-09% change) large trace change predicted (2.50347e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292793832144 (2.50344e-08% change) linmin: converged after 23 iterations. iteration 927: trace = 2.44929279346304 (1.50698e-08% change) linmin: converged after 5 iterations. iteration 928: trace = 2.449292793159334 (1.23997e-08% change) large trace change predicted (3.61892e-08%) linmin: converged after 7 iterations. iteration 929: trace = 2.449292792272968 (3.61886e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.449292791951839 (1.31111e-08% change) linmin: converged after 5 iterations. iteration 931: trace = 2.449292791582293 (1.50879e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292790908833 (2.74961e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292790287225 (2.53791e-08% change) linmin: converged after 16 iterations. iteration 934: trace = 2.449292790149227 (5.6342e-09% change) large trace change predicted (2.59762e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.449292789512982 (2.59767e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.449292788960277 (2.25659e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292788817194 (5.84182e-09% change) large trace change predicted (1.65993e-08%) linmin: converged after 4 iterations. iteration 938: trace = 2.449292788410628 (1.65993e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292788061161 (1.42681e-08% change) linmin: converged after 5 iterations. iteration 940: trace = 2.449292787904088 (6.41298e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292787727407 (7.21355e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.449292787440076 (1.17312e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292787216697 (9.12013e-09% change) linmin: converged after 14 iterations. iteration 944: trace = 2.449292787086417 (5.31911e-09% change) large trace change predicted (2.13184e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292786564272 (2.13182e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292786386931 (7.24049e-09% change) large trace change predicted (2.13741e-08%) linmin: converged after 6 iterations. iteration 947: trace = 2.449292785863411 (2.13743e-08% change) linmin: converged after 2 iterations. iteration 948: trace = 2.449292785444216 (1.71149e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292785222719 (9.04329e-09% change) linmin: converged after 6 iterations. iteration 950: trace = 2.449292784831595 (1.59689e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.449292784342337 (1.99755e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.449292784199534 (5.8304e-09% change) linmin: converged after 17 iterations. iteration 953: trace = 2.449292783988332 (8.62297e-09% change) linmin: converged after 5 iterations. iteration 954: trace = 2.449292783654258 (1.36396e-08% change) linmin: converged after 4 iterations. iteration 955: trace = 2.449292783500174 (6.29095e-09% change) linmin: converged after 2 iterations. iteration 956: trace = 2.449292783208447 (1.19106e-08% change) linmin: converged after 6 iterations. iteration 957: trace = 2.449292782947198 (1.06663e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292782853326 (3.8326e-09% change) large trace change predicted (8.90601e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.449292782635202 (8.9056e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.449292782448499 (7.62273e-09% change) linmin: converged after 15 iterations. iteration 961: trace = 2.449292782248253 (8.17567e-09% change) linmin: converged after 16 iterations. iteration 962: trace = 2.449292782146571 (4.15146e-09% change) large trace change predicted (1.25185e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292781839952 (1.25187e-08% change) linmin: converged after 12 iterations. iteration 964: trace = 2.4492927815918 (1.01315e-08% change) linmin: converged after 6 iterations. iteration 965: trace = 2.449292781489148 (4.19109e-09% change) large trace change predicted (1.03353e-08%) linmin: converged after 13 iterations. iteration 966: trace = 2.449292781236014 (1.0335e-08% change) linmin: converged after 17 iterations. iteration 967: trace = 2.449292780804872 (1.76027e-08% change) linmin: converged after 27 iterations. iteration 968: trace = 2.449292780674483 (5.32354e-09% change) large trace change predicted (1.3142e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.449292780352598 (1.31419e-08% change) linmin: converged after 22 iterations. iteration 970: trace = 2.449292780049838 (1.23611e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292779979538 (2.87022e-09% change) large trace change predicted (1.13314e-08%) linmin: converged after 4 iterations. iteration 972: trace = 2.449292779702009 (1.1331e-08% change) linmin: converged after 19 iterations. iteration 973: trace = 2.449292779538785 (6.6641e-09% change) linmin: converged after 5 iterations. iteration 974: trace = 2.449292779394868 (5.87587e-09% change) linmin: converged after 21 iterations. iteration 975: trace = 2.449292779154436 (9.81639e-09% change) linmin: converged after 4 iterations. iteration 976: trace = 2.449292778961834 (7.86359e-09% change) linmin: converged after 8 iterations. iteration 977: trace = 2.449292778861067 (4.11411e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292778715018 (5.96292e-09% change) linmin: converged after 3 iterations. iteration 979: trace = 2.449292778660124 (2.24121e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292778642429 (7.22461e-10% change) large trace change predicted (1.8637e-09%) linmin: converged after 10 iterations. iteration 981: trace = 2.449292778596778 (1.86383e-09% change) large trace change predicted (4.79827e-09%) linmin: converged after 16 iterations. iteration 982: trace = 2.449292778479253 (4.79833e-09% change) linmin: converged after 5 iterations. iteration 983: trace = 2.449292778403906 (3.07625e-09% change) large trace change predicted (7.38274e-09%) linmin: converged after 7 iterations. iteration 984: trace = 2.449292778223077 (7.38293e-09% change) linmin: converged after 3 iterations. iteration 985: trace = 2.449292778008108 (8.77676e-09% change) linmin: converged after 4 iterations. iteration 986: trace = 2.449292777899364 (4.43982e-09% change) linmin: converged after 4 iterations. iteration 987: trace = 2.44929277773461 (6.72661e-09% change) linmin: converged after 4 iterations. iteration 988: trace = 2.44929277748362 (1.02474e-08% change) linmin: converged after 16 iterations. iteration 989: trace = 2.449292777430113 (2.18461e-09% change) large trace change predicted (9.29698e-09%) linmin: converged after 10 iterations. iteration 990: trace = 2.449292777202406 (9.29684e-09% change) linmin: converged after 4 iterations. iteration 991: trace = 2.44929277696782 (9.57773e-09% change) linmin: converged after 18 iterations. iteration 992: trace = 2.449292776861291 (4.34938e-09% change) large trace change predicted (1.12244e-08%) linmin: converged after 2 iterations. iteration 993: trace = 2.449292776586386 (1.12238e-08% change) linmin: converged after 6 iterations. iteration 994: trace = 2.449292776349524 (9.67063e-09% change) linmin: converged after 5 iterations. iteration 995: trace = 2.449292776278055 (2.91793e-09% change) large trace change predicted (9.96082e-09%) linmin: converged after 4 iterations. iteration 996: trace = 2.449292776034087 (9.96075e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292775870198 (6.69129e-09% change) linmin: converged after 3 iterations. iteration 998: trace = 2.449292775812048 (2.37417e-09% change) large trace change predicted (7.34534e-09%) linmin: converged after 7 iterations. iteration 999: trace = 2.449292775632143 (7.34516e-09% change) linmin: converged after 7 iterations. iteration 1000: trace = 2.449292775487076 (5.92281e-09% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.449292775440195 (1.91405e-09% change) large trace change predicted (5.54556e-09%) linmin: converged after 5 iterations. iteration 1002: trace = 2.449292775304374 (5.54534e-09% change) linmin: converged after 7 iterations. iteration 1003: trace = 2.449292775126637 (7.25665e-09% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292775074531 (2.1274e-09% change) large trace change predicted (1.21033e-08%) linmin: converged after 6 iterations. iteration 1005: trace = 2.449292774778077 (1.21037e-08% change) linmin: converged after 8 iterations. iteration 1006: trace = 2.449292774512282 (1.08519e-08% change) linmin: converged after 18 iterations. iteration 1007: trace = 2.449292774367768 (5.90022e-09% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.449292774282644 (3.47545e-09% change) large trace change predicted (9.99848e-09%) linmin: converged after 4 iterations. iteration 1009: trace = 2.449292774037751 (9.9985e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292773823038 (8.76633e-09% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.449292773693298 (5.29707e-09% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.449292773530047 (6.6652e-09% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.449292773211893 (1.29896e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.4492927730975 (4.67047e-09% change) linmin: converged after 4 iterations. iteration 1015: trace = 2.44929277290337 (7.92598e-09% change) linmin: converged after 7 iterations. iteration 1016: trace = 2.449292772717558 (7.58633e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292772670309 (1.92908e-09% change) large trace change predicted (4.34693e-09%) linmin: converged after 4 iterations. iteration 1018: trace = 2.449292772563841 (4.34689e-09% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.449292772441809 (4.98232e-09% change) linmin: converged after 10 iterations. iteration 1020: trace = 2.449292772349872 (3.75362e-09% change) linmin: converged after 14 iterations. iteration 1021: trace = 2.449292772194014 (6.36339e-09% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292771984177 (8.56727e-09% change) linmin: converged after 7 iterations. iteration 1023: trace = 2.449292771864493 (4.88645e-09% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.449292771642871 (9.04842e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.44929277126778 (1.53143e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.449292771183107 (3.45706e-09% change) large trace change predicted (9.18166e-09%) linmin: converged after 4 iterations. iteration 1027: trace = 2.449292770958227 (9.18139e-09% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292770749206 (8.53392e-09% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292770651521 (3.98833e-09% change) large trace change predicted (9.64777e-09%) linmin: converged after 4 iterations. iteration 1030: trace = 2.449292770415231 (9.64726e-09% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.449292770083744 (1.3534e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.4492927700224 (2.50457e-09% change) large trace change predicted (8.77186e-09%) linmin: converged after 15 iterations. iteration 1033: trace = 2.449292769807539 (8.77235e-09% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292769616413 (7.80334e-09% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292769562297 (2.20943e-09% change) large trace change predicted (6.11638e-09%) linmin: converged after 13 iterations. iteration 1036: trace = 2.44929276941248 (6.11675e-09% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292769286351 (5.1496e-09% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.449292769224287 (2.53398e-09% change) linmin: converged after 19 iterations. iteration 1039: trace = 2.44929276910249 (4.97272e-09% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.449292768979161 (5.0353e-09% change) large trace change predicted (1.02177e-08%) linmin: converged after 7 iterations. iteration 1041: trace = 2.449292768728897 (1.02178e-08% change) linmin: converged after 25 iterations. iteration 1042: trace = 2.449292768668198 (2.47823e-09% change) large trace change predicted (1.08394e-08%) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292768402714 (1.08392e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292768186227 (8.83877e-09% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292768080908 (4.29995e-09% change) large trace change predicted (1.20036e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292767786905 (1.20036e-08% change) linmin: converged after 16 iterations. iteration 1047: trace = 2.449292767317353 (1.91709e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.4492927669618 (1.45166e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.449292766428851 (2.17593e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.449292765968325 (1.88024e-08% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.44929276571488 (1.03477e-08% change) linmin: converged after 6 iterations. iteration 1052: trace = 2.449292765371522 (1.40186e-08% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.449292765277895 (3.82265e-09% change) large trace change predicted (7.97857e-09%) linmin: converged after 6 iterations. iteration 1054: trace = 2.44929276508247 (7.97883e-09% change) linmin: converged after 9 iterations. iteration 1055: trace = 2.449292764915714 (6.80833e-09% change) linmin: converged after 10 iterations. iteration 1056: trace = 2.449292764819785 (3.91658e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292764727159 (3.78174e-09% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.449292764583072 (5.88282e-09% change) linmin: converged after 3 iterations. iteration 1059: trace = 2.449292764546222 (1.50452e-09% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.449292764473461 (2.97067e-09% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.449292764372156 (4.13608e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.44929276434261 (1.20631e-09% change) large trace change predicted (3.00343e-09%) linmin: converged after 23 iterations. iteration 1063: trace = 2.449292764269038 (3.00383e-09% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292764168866 (4.08983e-09% change) linmin: converged after 6 iterations. iteration 1065: trace = 2.449292764134953 (1.38458e-09% change) large trace change predicted (5.27524e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292764005743 (5.27542e-09% change) linmin: converged after 6 iterations. iteration 1067: trace = 2.449292763884682 (4.94269e-09% change) linmin: converged after 14 iterations. iteration 1068: trace = 2.449292763841545 (1.7612e-09% change) large trace change predicted (6.20926e-09%) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292763689454 (6.2096e-09% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.449292763603154 (3.52344e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.449292763560514 (1.74092e-09% change) large trace change predicted (4.86847e-09%) linmin: converged after 5 iterations. iteration 1072: trace = 2.449292763441272 (4.86842e-09% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.44929276332374 (4.79862e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.449292763290435 (1.35978e-09% change) large trace change predicted (4.88064e-09%) linmin: converged after 5 iterations. iteration 1075: trace = 2.449292763170891 (4.88075e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292763072989 (3.99716e-09% change) linmin: converged after 4 iterations. iteration 1077: trace = 2.449292762995178 (3.17688e-09% change) linmin: converged after 9 iterations. iteration 1078: trace = 2.449292762971944 (9.48595e-10% change) large trace change predicted (3.05053e-09%) linmin: converged after 4 iterations. iteration 1079: trace = 2.44929276289723 (3.05043e-09% change) linmin: converged after 13 iterations. iteration 1080: trace = 2.449292762855669 (1.69686e-09% change) linmin: converged after 12 iterations. iteration 1081: trace = 2.449292762837263 (7.51471e-10% change) large trace change predicted (2.23762e-09%) linmin: converged after 12 iterations. iteration 1082: trace = 2.44929276278246 (2.23753e-09% change) linmin: converged after 14 iterations. iteration 1083: trace = 2.449292762713095 (2.83202e-09% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.449292762687419 (1.04832e-09% change) large trace change predicted (5.03792e-09%) linmin: converged after 7 iterations. iteration 1085: trace = 2.449292762564024 (5.03799e-09% change) linmin: converged after 18 iterations. iteration 1086: trace = 2.449292762456729 (4.38065e-09% change) linmin: converged after 18 iterations. iteration 1087: trace = 2.449292762417846 (1.58749e-09% change) large trace change predicted (3.1791e-09%) linmin: converged after 3 iterations. iteration 1088: trace = 2.449292762339978 (3.17922e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292762236167 (4.23841e-09% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.449292762214396 (8.88852e-10% change) large trace change predicted (3.58121e-09%) linmin: converged after 4 iterations. iteration 1091: trace = 2.44929276212669 (3.5809e-09% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292762069378 (2.33992e-09% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.449292762012817 (2.30928e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.449292761982268 (1.24725e-09% change) large trace change predicted (3.10232e-09%) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292761906284 (3.10231e-09% change) linmin: converged after 15 iterations. iteration 1096: trace = 2.449292761891368 (6.08995e-10% change) large trace change predicted (1.63706e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292761851263 (1.63739e-09% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.449292761807737 (1.77711e-09% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.449292761793073 (5.98678e-10% change) large trace change predicted (1.42501e-09%) linmin: converged after 13 iterations. iteration 1100: trace = 2.449292761758168 (1.4251e-09% change) linmin: converged after 15 iterations. iteration 1101: trace = 2.449292761707303 (2.07673e-09% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.44929276169212 (6.1991e-10% change) large trace change predicted (1.7834e-09%) linmin: converged after 22 iterations. iteration 1103: trace = 2.449292761648443 (1.78323e-09% change) linmin: converged after 5 iterations. iteration 1104: trace = 2.449292761585703 (2.56158e-09% change) linmin: converged after 21 iterations. iteration 1105: trace = 2.449292761543351 (1.72913e-09% change) linmin: converged after 2 iterations. iteration 1106: trace = 2.449292761507111 (1.47962e-09% change) large trace change predicted (3.44618e-09%) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292761422707 (3.44604e-09% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.449292761353378 (2.83059e-09% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.449292761327601 (1.05241e-09% change) linmin: converged after 12 iterations. iteration 1110: trace = 2.44929276128173 (1.87282e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292761220391 (2.50435e-09% change) linmin: converged after 6 iterations. iteration 1112: trace = 2.449292761208689 (4.77779e-10% change) large trace change predicted (2.07531e-09%) linmin: converged after 4 iterations. iteration 1113: trace = 2.449292761157852 (2.0756e-09% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.449292761110674 (1.92616e-09% change) linmin: converged after 9 iterations. iteration 1115: trace = 2.44929276108564 (1.02212e-09% change) linmin: converged after 2 iterations. iteration 1116: trace = 2.449292761053592 (1.30847e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.449292761030066 (9.60489e-10% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.449292761024818 (2.14276e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.44929276101568 (3.73088e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.449292761007742 (3.24079e-10% change) linmin: converged after 10 iterations. iteration 1121: trace = 2.44929276100358 (1.69945e-10% change) large trace change predicted (7.80825e-10%) linmin: converged after 3 iterations. iteration 1122: trace = 2.449292760984458 (7.80717e-10% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.44929276096336 (8.61383e-10% change) linmin: converged after 8 iterations. iteration 1124: trace = 2.449292760939866 (9.5922e-10% change) linmin: converged after 18 iterations. iteration 1125: trace = 2.449292760897241 (1.74028e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.449292760848863 (1.97519e-09% change) linmin: converged after 5 iterations. iteration 1127: trace = 2.449292760837915 (4.4701e-10% change) large trace change predicted (2.25817e-09%) linmin: converged after 2 iterations. iteration 1128: trace = 2.44929276078261 (2.258e-09% change) linmin: converged after 8 iterations. iteration 1129: trace = 2.449292760754957 (1.12898e-09% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.449292760730642 (9.92763e-10% change) large trace change predicted (2.03515e-09%) linmin: converged after 7 iterations. iteration 1131: trace = 2.449292760680793 (2.03524e-09% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.449292760631572 (2.00959e-09% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.449292760604489 (1.10574e-09% change) large trace change predicted (2.32198e-09%) linmin: converged after 4 iterations. iteration 1134: trace = 2.44929276054762 (2.32188e-09% change) linmin: converged after 21 iterations. iteration 1135: trace = 2.4492927605003 (1.93198e-09% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.449292760486126 (5.78697e-10% change) large trace change predicted (1.34256e-09%) linmin: converged after 7 iterations. iteration 1137: trace = 2.449292760453242 (1.34259e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292760418562 (1.41593e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.449292760409395 (3.74267e-10% change) large trace change predicted (1.20718e-09%) linmin: converged after 7 iterations. iteration 1140: trace = 2.449292760379826 (1.20722e-09% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.449292760356247 (9.62719e-10% change) linmin: converged after 16 iterations. iteration 1142: trace = 2.449292760344707 (4.71124e-10% change) large trace change predicted (1.27546e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.449292760313462 (1.2757e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.449292760266365 (1.92286e-09% change) linmin: converged after 9 iterations. iteration 1145: trace = 2.449292760255133 (4.58577e-10% change) large trace change predicted (1.91525e-09%) linmin: converged after 6 iterations. iteration 1146: trace = 2.449292760208221 (1.91534e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292760169658 (1.57445e-09% change) linmin: converged after 19 iterations. iteration 1148: trace = 2.449292760156511 (5.3676e-10% change) large trace change predicted (1.9284e-09%) linmin: converged after 19 iterations. iteration 1149: trace = 2.449292760109271 (1.92874e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292760072884 (1.48561e-09% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.449292760044754 (1.14851e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760010435 (1.40117e-09% change) large trace change predicted (3.03388e-09%) linmin: converged after 2 iterations. iteration 1153: trace = 2.44929275993613 (3.03373e-09% change) linmin: converged after 8 iterations. iteration 1154: trace = 2.449292759906359 (1.21549e-09% change) linmin: converged after 15 iterations. iteration 1155: trace = 2.449292759858777 (1.94266e-09% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292759822857 (1.46657e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.449292759797514 (1.03468e-09% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.449292759789126 (3.42501e-10% change) large trace change predicted (1.0153e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292759764242 (1.01595e-09% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.449292759728197 (1.47165e-09% change) linmin: converged after 7 iterations. iteration 1161: trace = 2.449292759715638 (5.12754e-10% change) large trace change predicted (1.54497e-09%) linmin: converged after 8 iterations. iteration 1162: trace = 2.4492927596778 (1.54488e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.449292759626884 (2.07877e-09% change) linmin: converged after 6 iterations. iteration 1164: trace = 2.449292759608432 (7.53393e-10% change) large trace change predicted (2.37225e-09%) linmin: converged after 10 iterations. iteration 1165: trace = 2.449292759550325 (2.37239e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.449292759509685 (1.65925e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292759482831 (1.09638e-09% change) linmin: converged after 12 iterations. iteration 1168: trace = 2.449292759453837 (1.18378e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.449292759399416 (2.22188e-09% change) linmin: converged after 10 iterations. iteration 1170: trace = 2.449292759378642 (8.48183e-10% change) large trace change predicted (2.1927e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292759324932 (2.19287e-09% change) linmin: converged after 15 iterations. iteration 1172: trace = 2.449292759281017 (1.79297e-09% change) linmin: converged after 7 iterations. iteration 1173: trace = 2.449292759251759 (1.19453e-09% change) linmin: converged after 13 iterations. iteration 1174: trace = 2.449292759226954 (1.01278e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759191787 (1.43578e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292759176609 (6.19674e-10% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.449292759167176 (3.85146e-10% change) large trace change predicted (1.32493e-09%) linmin: converged after 14 iterations. iteration 1178: trace = 2.449292759134728 (1.3248e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.449292759103133 (1.28993e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.44929275909218 (4.47227e-10% change) large trace change predicted (1.78244e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292759048531 (1.78209e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.449292759012669 (1.4642e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292758991429 (8.67185e-10% change) large trace change predicted (1.92437e-09%) linmin: converged after 15 iterations. iteration 1184: trace = 2.449292758944294 (1.9244e-09% change) linmin: converged after 16 iterations. iteration 1185: trace = 2.449292758888086 (2.2949e-09% change) linmin: converged after 16 iterations. iteration 1186: trace = 2.449292758862216 (1.05622e-09% change) large trace change predicted (3.36071e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.4492927587799 (3.36079e-09% change) linmin: converged after 2 iterations. iteration 1188: trace = 2.449292758728909 (2.08187e-09% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.449292758646394 (3.36891e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.449292758570232 (3.10956e-09% change) linmin: converged after 5 iterations. iteration 1191: trace = 2.449292758528312 (1.71154e-09% change) linmin: converged after 6 iterations. iteration 1192: trace = 2.449292758463964 (2.62719e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.449292758444641 (7.8893e-10% change) large trace change predicted (1.66761e-09%) linmin: converged after 18 iterations. iteration 1194: trace = 2.449292758403796 (1.66759e-09% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.449292758371266 (1.32814e-09% change) linmin: converged after 7 iterations. iteration 1196: trace = 2.449292758357194 (5.74545e-10% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.449292758334138 (9.41324e-10% change) linmin: converged after 3 iterations. iteration 1198: trace = 2.449292758306159 (1.14236e-09% change) linmin: converged after 11 iterations. iteration 1199: trace = 2.449292758299229 (2.82921e-10% change) large trace change predicted (8.66803e-10%) linmin: converged after 9 iterations. iteration 1200: trace = 2.449292758277997 (8.66859e-10% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758256874 (8.62398e-10% change) linmin: converged after 6 iterations. iteration 1202: trace = 2.44929275825095 (2.41872e-10% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.44929275823966 (4.60953e-10% change) linmin: converged after 19 iterations. iteration 1204: trace = 2.449292758217747 (8.94672e-10% change) linmin: converged after 10 iterations. iteration 1205: trace = 2.449292758210747 (2.85804e-10% change) large trace change predicted (1.131e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.449292758183054 (1.13063e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292758157191 (1.05593e-09% change) linmin: converged after 8 iterations. iteration 1208: trace = 2.449292758128336 (1.17812e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758116175 (4.96526e-10% change) large trace change predicted (1.09776e-09%) linmin: converged after 6 iterations. iteration 1210: trace = 2.449292758089271 (1.09841e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.44929275807355 (6.41867e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758064461 (3.71076e-10% change) linmin: converged after 6 iterations. iteration 1213: trace = 2.449292758046835 (7.19632e-10% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.44929275802047 (1.07644e-09% change) linmin: converged after 3 iterations. iteration 1215: trace = 2.44929275801478 (2.32335e-10% change) large trace change predicted (8.12678e-10%) linmin: converged after 19 iterations. iteration 1216: trace = 2.449292757994878 (8.12537e-10% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292757980141 (6.01706e-10% change) linmin: converged after 3 iterations. iteration 1218: trace = 2.449292757974836 (2.16597e-10% change) large trace change predicted (5.59722e-10%) linmin: converged after 18 iterations. iteration 1219: trace = 2.449292757961126 (5.5975e-10% change) linmin: converged after 5 iterations. iteration 1220: trace = 2.449292757950947 (4.15588e-10% change) linmin: converged after 4 iterations. iteration 1221: trace = 2.449292757947216 (1.52303e-10% change) large trace change predicted (4.28529e-10%) linmin: converged after 6 iterations. iteration 1222: trace = 2.449292757936721 (4.28498e-10% change) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292757921767 (6.10554e-10% change) linmin: converged after 3 iterations. iteration 1224: trace = 2.449292757912874 (3.63098e-10% change) large trace change predicted (9.90502e-10%) linmin: converged after 9 iterations. iteration 1225: trace = 2.449292757888617 (9.90333e-10% change) linmin: converged after 15 iterations. iteration 1226: trace = 2.44929275786038 (1.15288e-09% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.449292757845739 (5.97753e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292757838752 (2.85278e-10% change) large trace change predicted (7.35967e-10%) linmin: converged after 4 iterations. iteration 1229: trace = 2.449292757820726 (7.35969e-10% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.449292757806199 (5.93094e-10% change) linmin: converged after 3 iterations. iteration 1231: trace = 2.449292757800715 (2.23904e-10% change) large trace change predicted (5.02954e-10%) linmin: converged after 4 iterations. iteration 1232: trace = 2.449292757788395 (5.03035e-10% change) linmin: converged after 13 iterations. iteration 1233: trace = 2.449292757772279 (6.57986e-10% change) linmin: converged after 7 iterations. iteration 1234: trace = 2.449292757767738 (1.85375e-10% change) large trace change predicted (5.15055e-10%) linmin: converged after 6 iterations. iteration 1235: trace = 2.449292757755121 (5.15129e-10% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.449292757747561 (3.0865e-10% change) linmin: converged after 6 iterations. iteration 1237: trace = 2.449292757741099 (2.63865e-10% change) linmin: converged after 3 iterations. iteration 1238: trace = 2.449292757736615 (1.83036e-10% change) linmin: converged after 6 iterations. iteration 1239: trace = 2.449292757727691 (3.64385e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292757725059 (1.07446e-10% change) large trace change predicted (3.94538e-10%) linmin: converged after 6 iterations. iteration 1241: trace = 2.449292757715408 (3.94012e-10% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.449292757707109 (3.38856e-10% change) linmin: converged after 2 iterations. iteration 1243: trace = 2.449292757703049 (1.65738e-10% change) large trace change predicted (5.3833e-10%) linmin: converged after 16 iterations. iteration 1244: trace = 2.449292757689868 (5.38156e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292757674787 (6.1574e-10% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.44929275766581 (3.66525e-10% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.449292757655007 (4.41044e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757641816 (5.38591e-10% change) linmin: converged after 6 iterations. iteration 1249: trace = 2.449292757632077 (3.9762e-10% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.449292757628572 (1.43092e-10% change) large trace change predicted (5.66461e-10%) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292757614693 (5.66676e-10% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292757604955 (3.97547e-10% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.44929275760057 (1.79065e-10% change) large trace change predicted (3.60655e-10%) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757591733 (3.60795e-10% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.449292757582814 (3.64131e-10% change) linmin: converged after 3 iterations. iteration 1256: trace = 2.449292757579361 (1.40989e-10% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 12.661685705184937 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861294823707 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854223892372 (0.318771% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310860216668 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172950204133 (0.0455393% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678864135456 (0.0998863% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170593955623 (0.0203681% change) linmin: converged after 6 iterations. iteration 7: trace = 2.494660906209061 (0.0204291% change) linmin: converged after 3 iterations. iteration 8: trace = 2.494390041883609 (0.0108584% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240374217128 (0.00600035% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053174731029 (0.00750555% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006825486339 (0.00185841% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.4938539337283 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809367813176 (0.00178705% change) large trace change predicted (0.00364813%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718828130056 (0.00363064% change) linmin: converged after 5 iterations. iteration 15: trace = 2.493653590997041 (0.00261609% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597478449508 (0.00225024% change) large trace change predicted (0.00494521%) linmin: converged after 5 iterations. iteration 17: trace = 2.493474380662515 (0.00493668% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424211282409 (0.00201205% change) large trace change predicted (0.00492523%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301803556187 (0.00490934% change) linmin: converged after 5 iterations. iteration 20: trace = 2.493243906051005 (0.00232215% change) large trace change predicted (0.00472084%) linmin: converged after 4 iterations. iteration 21: trace = 2.49312657023029 (0.00470626% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032187772082 (0.00378578% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931282130852 (0.00404759% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785228344313 (0.00585889% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694607675644 (0.00363538% change) linmin: converged after 3 iterations. iteration 26: trace = 2.49255659821512 (0.00553671% change) linmin: converged after 6 iterations. iteration 27: trace = 2.492504536387946 (0.00208871% change) large trace change predicted (0.00584589%) linmin: converged after 5 iterations. iteration 28: trace = 2.492359092471954 (0.00583542% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292349087578 (0.00267796% change) linmin: converged after 4 iterations. iteration 30: trace = 2.492204279010497 (0.00353376% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122077924615 (0.00329838% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088499467698 (0.00134739% change) large trace change predicted (0.00374959%) linmin: converged after 6 iterations. iteration 33: trace = 2.491995155120871 (0.0037457% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973065110292 (0.000886443% change) large trace change predicted (0.00384145%) linmin: converged after 7 iterations. iteration 35: trace = 2.49187743560066 (0.00383758% change) linmin: converged after 17 iterations. iteration 36: trace = 2.491799717427675 (0.00311891% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716656516858 (0.00333343% change) large trace change predicted (0.00753776%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529155564599 (0.00752525% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464441983394 (0.00259738% change) large trace change predicted (0.00785127%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269246541563 (0.00783487% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195511873895 (0.00295977% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085264280376 (0.00442559% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014765050342 (0.0028301% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969415878733 (0.00182053% change) large trace change predicted (0.0053874%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834911351619 (0.00539983% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789502484418 (0.00182305% change) large trace change predicted (0.0100849%) linmin: converged after 3 iterations. iteration 47: trace = 2.49053647452969 (0.0101591% change) linmin: converged after 20 iterations. iteration 48: trace = 2.490423740490455 (0.0045266% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250082384984 (0.00697328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020799246789 (0.00920766% change) linmin: converged after 5 iterations. iteration 51: trace = 2.489949055174652 (0.00288131% change) large trace change predicted (0.00946168%) linmin: converged after 3 iterations. iteration 52: trace = 2.48971117962506 (0.00955389% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658491902614 (0.00211624% change) large trace change predicted (0.00434355%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549898127971 (0.00436189% change) linmin: converged after 5 iterations. iteration 55: trace = 2.48947062557736 (0.00318426% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407081986692 (0.00255253% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315107827438 (0.00369469% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272616817455 (0.00170695% change) large trace change predicted (0.0035833%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183274694564 (0.00358915% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147397629161 (0.00144133% change) large trace change predicted (0.00337187%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063390627739 (0.00337499% change) linmin: converged after 7 iterations. iteration 62: trace = 2.489014206089442 (0.00197605% change) linmin: converged after 3 iterations. iteration 63: trace = 2.488950741324421 (0.00254983% change) linmin: converged after 3 iterations. iteration 64: trace = 2.488865312927528 (0.00343236% change) linmin: converged after 9 iterations. iteration 65: trace = 2.48882896850126 (0.00146029% change) linmin: converged after 3 iterations. iteration 66: trace = 2.48876392857978 (0.00261331% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735831145782 (0.00112898% change) large trace change predicted (0.00312832%) linmin: converged after 4 iterations. iteration 68: trace = 2.488658025727338 (0.00312635% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603332566496 (0.00219772% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574488312971 (0.00115906% change) large trace change predicted (0.00249044%) linmin: converged after 3 iterations. iteration 71: trace = 2.48851254333619 (0.00248921% change) linmin: converged after 4 iterations. iteration 72: trace = 2.488484811407522 (0.0011144% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451517226611 (0.00133794% change) large trace change predicted (0.00319143%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372331770319 (0.00318217% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356743306831 (0.000626454% change) large trace change predicted (0.00189955%) linmin: converged after 17 iterations. iteration 76: trace = 2.488309528844206 (0.00189743% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271470308082 (0.00152951% change) linmin: converged after 6 iterations. iteration 78: trace = 2.48825801210287 (0.000540867% change) large trace change predicted (0.00171403%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215444516833 (0.00171075% change) linmin: converged after 5 iterations. iteration 80: trace = 2.488166265906318 (0.00197648% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145088281531 (0.000851137% change) linmin: converged after 8 iterations. iteration 82: trace = 2.488106107642166 (0.00156667% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066356131985 (0.00159767% change) linmin: converged after 4 iterations. iteration 84: trace = 2.488048660012617 (0.000711242% change) large trace change predicted (0.00194535%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000407478186 (0.00193939% change) linmin: converged after 12 iterations. iteration 86: trace = 2.487937964026419 (0.00250982% change) linmin: converged after 7 iterations. iteration 87: trace = 2.487919669342228 (0.000735338% change) large trace change predicted (0.00295757%) linmin: converged after 9 iterations. iteration 88: trace = 2.487846129611174 (0.00295592% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797914847537 (0.00193803% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776324147264 (0.000867868% change) large trace change predicted (0.00215009%) linmin: converged after 10 iterations. iteration 91: trace = 2.487722850374884 (0.00214948% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710832915366 (0.000483072% change) large trace change predicted (0.00124415%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679892050236 (0.00124376% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653052696605 (0.0010789% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630523528716 (0.000905644% change) linmin: converged after 3 iterations. iteration 96: trace = 2.487599187541065 (0.00125968% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540234500335 (0.00236991% change) linmin: converged after 4 iterations. iteration 98: trace = 2.487521680053145 (0.000745898% change) linmin: converged after 3 iterations. iteration 99: trace = 2.48749369234538 (0.00112513% change) linmin: converged after 4 iterations. iteration 100: trace = 2.487462280776408 (0.00126279% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745538317346 (0.000277295% change) large trace change predicted (0.000932189%) linmin: converged after 4 iterations. iteration 102: trace = 2.487432232946961 (0.000930683% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405053164896 (0.00109269% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396826845584 (0.000330719% change) large trace change predicted (0.00148287%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359850426164 (0.00148656% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331104378208 (0.00115569% change) linmin: converged after 3 iterations. iteration 107: trace = 2.487319503966435 (0.000466381% change) large trace change predicted (0.00232124%) linmin: converged after 3 iterations. iteration 108: trace = 2.487261660731532 (0.00232555% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237139175291 (0.000985891% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206689245876 (0.00122425% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487173039153497 (0.00135294% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160582945407 (0.000500819% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141962003475 (0.000748686% change) linmin: converged after 4 iterations. iteration 114: trace = 2.48711156923264 (0.001222% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101755939142 (0.000394567% change) large trace change predicted (0.000796849%) linmin: converged after 4 iterations. iteration 116: trace = 2.48708194273615 (0.000796641% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063696706578 (0.000733635% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055332252373 (0.000336319% change) large trace change predicted (0.00104762%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029269408359 (0.00104795% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487008045615736 (0.000853383% change) linmin: converged after 6 iterations. iteration 121: trace = 2.48700017167732 (0.000316603% change) large trace change predicted (0.000982653%) linmin: converged after 3 iterations. iteration 122: trace = 2.486975733197829 (0.000982654% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952916262832 (0.000917461% change) linmin: converged after 2 iterations. iteration 124: trace = 2.48694005832716 (0.000517017% change) large trace change predicted (0.00230729%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730276597 (0.00230519% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843517538343 (0.0015768% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783802235894 (0.00240128% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698778470992 (0.00341908% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661370526541 (0.00150433% change) linmin: converged after 4 iterations. iteration 130: trace = 2.486623166420387 (0.00153637% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591360895059 (0.00127907% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581571046237 (0.000393706% change) large trace change predicted (0.000967222%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557511365659 (0.000967585% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535889996014 (0.000869534% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525791526607 (0.000406127% change) large trace change predicted (0.0013309%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492674495266 (0.00133187% change) linmin: converged after 3 iterations. iteration 137: trace = 2.486468592737199 (0.000968508% change) linmin: converged after 8 iterations. iteration 138: trace = 2.486461349200129 (0.000291319% change) large trace change predicted (0.000628824%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445714945586 (0.000628777% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.486440364077793 (0.000215202% change) linmin: converged after 3 iterations. iteration 141: trace = 2.48643689442398 (0.000139543% change) large trace change predicted (0.000493667%) linmin: converged after 5 iterations. iteration 142: trace = 2.486424630862111 (0.00049322% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421645138631 (0.000120081% change) large trace change predicted (0.00052143%) linmin: converged after 9 iterations. iteration 144: trace = 2.48640869659411 (0.000520772% change) linmin: converged after 4 iterations. iteration 145: trace = 2.486392039075713 (0.000669945% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387568137675 (0.000179816% change) large trace change predicted (0.000453974%) linmin: converged after 4 iterations. iteration 147: trace = 2.486376278695008 (0.000454051% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363701246483 (0.000505856% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359977647575 (0.000149761% change) large trace change predicted (0.000896594%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337671144955 (0.000897159% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322945990872 (0.000592244% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310311991143 (0.000508141% change) linmin: converged after 3 iterations. iteration 153: trace = 2.48628834262749 (0.000883617% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270777770409 (0.000706472% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265100022484 (0.000228364% change) large trace change predicted (0.000475066%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253277978252 (0.000475495% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244584253122 (0.000349672% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241802712577 (0.000111877% change) large trace change predicted (0.000398101%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901505214 (0.000398241% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229510742024 (9.61602e-05% change) large trace change predicted (0.000223303%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223958656125 (0.000223314% change) linmin: converged after 5 iterations. iteration 162: trace = 2.486219153101501 (0.000193287% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216749691723 (9.66693e-05% change) large trace change predicted (0.00028739%) linmin: converged after 4 iterations. iteration 164: trace = 2.486209611799701 (0.000287099% change) linmin: converged after 4 iterations. iteration 165: trace = 2.486198939073596 (0.000429278% change) linmin: converged after 4 iterations. iteration 166: trace = 2.486196075316957 (0.000115186% change) large trace change predicted (0.000263943%) linmin: converged after 3 iterations. iteration 167: trace = 2.486189515898882 (0.000263834% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181677693373 (0.00031527% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178980746995 (0.000108478% change) large trace change predicted (0.000243339%) linmin: converged after 3 iterations. iteration 170: trace = 2.486172932037342 (0.000243294% change) linmin: converged after 6 iterations. iteration 171: trace = 2.486164268379485 (0.000348474% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160749798842 (0.000141527% change) large trace change predicted (0.000307656%) linmin: converged after 4 iterations. iteration 173: trace = 2.48615310281474 (0.000307583% change) linmin: converged after 13 iterations. iteration 174: trace = 2.486145978824816 (0.000286547% change) linmin: converged after 4 iterations. iteration 175: trace = 2.486143489981627 (0.000100109% change) large trace change predicted (0.000285133%) linmin: converged after 5 iterations. iteration 176: trace = 2.486136403667667 (0.000285033% change) linmin: converged after 3 iterations. iteration 177: trace = 2.486131847476408 (0.000183264% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129089392494 (0.000110939% change) linmin: converged after 4 iterations. iteration 179: trace = 2.486124817015899 (0.000171849% change) linmin: converged after 3 iterations. iteration 180: trace = 2.48612236315362 (9.87023e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119062160494 (0.000132777% change) large trace change predicted (0.000341427%) linmin: converged after 4 iterations. iteration 182: trace = 2.4861105797808 (0.00034119% change) linmin: converged after 7 iterations. iteration 183: trace = 2.486106060532093 (0.00018178% change) linmin: converged after 5 iterations. iteration 184: trace = 2.486103655763718 (9.67284e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099626625522 (0.000162067% change) linmin: converged after 7 iterations. iteration 186: trace = 2.486095981949239 (0.000146602% change) linmin: converged after 4 iterations. iteration 187: trace = 2.486093698477957 (9.18497e-05% change) large trace change predicted (0.000189809%) linmin: converged after 3 iterations. iteration 188: trace = 2.486088979475488 (0.000189816% change) linmin: converged after 4 iterations. iteration 189: trace = 2.48608690303075 (8.35226e-05% change) large trace change predicted (0.000213472%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081594103196 (0.000213546% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075453278893 (0.000247008% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072831976526 (0.000105439% change) linmin: converged after 3 iterations. iteration 193: trace = 2.4860679699097 (0.000195572% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062912554137 (0.000203428% change) linmin: converged after 4 iterations. iteration 195: trace = 2.486061531735453 (5.55424e-05% change) large trace change predicted (0.000142%) linmin: converged after 4 iterations. iteration 196: trace = 2.486057999578007 (0.000142079% change) linmin: converged after 5 iterations. iteration 197: trace = 2.486054808772496 (0.000128348% change) linmin: converged after 3 iterations. iteration 198: trace = 2.48605378060835 (4.13573e-05% change) large trace change predicted (9.41783e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051438129305 (9.42248e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.486048715755478 (0.000109506% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047264557858 (5.83737e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045469216303 (7.22167e-05% change) large trace change predicted (0.000221725%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039953169782 (0.000221881% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486039052344386 (3.62354e-05% change) large trace change predicted (0.000205339%) linmin: converged after 5 iterations. iteration 205: trace = 2.48603394525744 (0.000205431% change) linmin: converged after 4 iterations. iteration 206: trace = 2.486031440356014 (0.000100759% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030262167184 (4.73924e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.486028013530505 (9.04509e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486025018789553 (0.000120463% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.486023490495198 (6.14754e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.48602166290103 (7.35148e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486020612198732 (4.22644e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 2.486018869972251 (7.0081e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.48601666176142 (8.88252e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.48601553870887 (4.51748e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.486013568363215 (7.92572e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.486011370528944 (8.8408e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.486010571011795 (3.21606e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.486009406007689 (4.68624e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.486007496049898 (7.68283e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486007097673618 (1.60247e-05% change) large trace change predicted (9.33328e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.486004778739243 (9.32795e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486003289766493 (5.98942e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486002283893566 (4.04615e-05% change) large trace change predicted (8.70104e-05%) linmin: converged after 5 iterations. iteration 225: trace = 2.486000121159814 (8.69965e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.485997425034041 (0.000108452% change) linmin: converged after 9 iterations. iteration 227: trace = 2.485996163125309 (5.07607e-05% change) large trace change predicted (0.000151638%) linmin: converged after 3 iterations. iteration 228: trace = 2.485992393875975 (0.000151619% change) linmin: converged after 4 iterations. iteration 229: trace = 2.485989733002224 (0.000107035% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485988693714676 (4.18058e-05% change) large trace change predicted (0.000117502%) linmin: converged after 4 iterations. iteration 231: trace = 2.485985772719453 (0.000117498% change) linmin: converged after 3 iterations. iteration 232: trace = 2.485984443995183 (5.34486e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.485982851734076 (6.40495e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.485980885310167 (7.91005e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485979858206526 (4.13158e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.485978209871819 (6.63053e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.48597582834629 (9.57984e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.485974912326365 (3.68475e-05% change) large trace change predicted (8.70141e-05%) linmin: converged after 4 iterations. iteration 239: trace = 2.485972748667882 (8.70346e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.485971492712208 (5.05217e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485970973928371 (2.08685e-05% change) large trace change predicted (5.40368e-05%) linmin: converged after 6 iterations. iteration 242: trace = 2.485969630536715 (5.40389e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.485967559831264 (8.32957e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485967078739419 (1.93523e-05% change) large trace change predicted (8.2354e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.485965031323315 (8.2359e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.485962640659584 (9.61665e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485961944036905 (2.80223e-05% change) large trace change predicted (0.000151146%) linmin: converged after 4 iterations. iteration 248: trace = 2.485958185151954 (0.000151205% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485956960222452 (4.9274e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485955150742278 (7.27881e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485953066285371 (8.38494e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485952164881962 (3.62599e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.485950800249106 (5.48938e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485948205009592 (0.000104396% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485947601448794 (2.42789e-05% change) large trace change predicted (5.97318e-05%) linmin: converged after 4 iterations. iteration 256: trace = 2.485946116174774 (5.97468e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.485944524338768 (6.40334e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485943911939749 (2.46345e-05% change) large trace change predicted (5.0313e-05%) linmin: converged after 15 iterations. iteration 259: trace = 2.485942661183049 (5.03132e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.485941103862217 (6.26451e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485940744162713 (1.44694e-05% change) large trace change predicted (8.07906e-05%) linmin: converged after 3 iterations. iteration 262: trace = 2.485938736422496 (8.07638e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.485937070192094 (6.70262e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.485936394434843 (2.71832e-05% change) large trace change predicted (7.49784e-05%) linmin: converged after 8 iterations. iteration 265: trace = 2.485934530771025 (7.49683e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.485932254701447 (9.15579e-05% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485931133415977 (4.51052e-05% change) large trace change predicted (0.000103874%) linmin: converged after 4 iterations. iteration 268: trace = 2.485928553014296 (0.0001038% change) linmin: converged after 3 iterations. iteration 269: trace = 2.485926983853744 (6.31217e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485926089404439 (3.59805e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485924390151787 (6.83549e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.485923218224088 (4.71425e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.485922138723549 (4.34245e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485920888319217 (5.02994e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.485920113174555 (3.11814e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485918807819563 (5.25099e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485917542684775 (5.08921e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.485917216708569 (1.31129e-05% change) large trace change predicted (3.23434e-05%) linmin: converged after 2 iterations. iteration 279: trace = 2.485916412678185 (3.23434e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915854614772 (2.2449e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.485915604839614 (1.00476e-05% change) large trace change predicted (3.13564e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.485914825426478 (3.13532e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.485913935720369 (3.57899e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.485913602026633 (1.34234e-05% change) large trace change predicted (4.71743e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.485912430014779 (4.71461e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.485911610531108 (3.29651e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.485911233500578 (1.51667e-05% change) large trace change predicted (3.64809e-05%) linmin: converged after 4 iterations. iteration 288: trace = 2.485910326580237 (3.64824e-05% change) linmin: converged after 4 iterations. iteration 289: trace = 2.485909660726284 (2.67851e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485908543743136 (4.49326e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.48590702865525 (6.09471e-05% change) linmin: converged after 6 iterations. iteration 292: trace = 2.485906460482644 (2.28557e-05% change) linmin: converged after 5 iterations. iteration 293: trace = 2.485905405789129 (4.24269e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485904090084648 (5.29266e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.4859038167858 (1.09939e-05% change) large trace change predicted (3.55819e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902932019473 (3.55913e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.485902210676486 (2.90173e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.485901645474348 (2.27363e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.485901281643706 (1.46358e-05% change) large trace change predicted (3.45878e-05%) linmin: converged after 3 iterations. iteration 300: trace = 2.485900421822486 (3.45879e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.485900255980168 (6.67132e-06% change) large trace change predicted (2.61477e-05%) linmin: converged after 5 iterations. iteration 302: trace = 2.485899605899899 (2.61507e-05% change) linmin: converged after 6 iterations. iteration 303: trace = 2.485898894206893 (2.86292e-05% change) linmin: converged after 4 iterations. iteration 304: trace = 2.485898680576151 (8.5937e-06% change) large trace change predicted (3.4018e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.485897834986386 (3.40155e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.485897110045423 (2.91621e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.485896884702557 (9.06485e-06% change) large trace change predicted (2.94314e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.485896153256249 (2.94238e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.485895610553827 (2.18313e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.485895372859215 (9.56173e-06% change) large trace change predicted (2.56914e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.485894734361974 (2.56848e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.485893943895731 (3.17981e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.48589372298764 (8.88647e-06% change) large trace change predicted (1.8117e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.485893272793051 (1.811e-05% change) linmin: converged after 7 iterations. iteration 315: trace = 2.485892693143444 (2.33176e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485892581999734 (4.47098e-06% change) large trace change predicted (2.28637e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.485892013736819 (2.28595e-05% change) linmin: converged after 9 iterations. iteration 318: trace = 2.485891796052413 (8.75679e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.485891534558626 (1.05191e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.485891109768906 (1.7088e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.485890687364705 (1.69921e-05% change) linmin: converged after 11 iterations. iteration 322: trace = 2.485890419178516 (1.07883e-05% change) large trace change predicted (2.48834e-05%) linmin: converged after 3 iterations. iteration 323: trace = 2.485889800734375 (2.48782e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.485889500881436 (1.20622e-05% change) linmin: converged after 5 iterations. iteration 325: trace = 2.485889304231886 (7.91063e-06% change) large trace change predicted (1.89391e-05%) linmin: converged after 3 iterations. iteration 326: trace = 2.485888833500975 (1.89361e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.485888532237391 (1.21189e-05% change) linmin: converged after 3 iterations. iteration 328: trace = 2.485888224327214 (1.23863e-05% change) large trace change predicted (2.88287e-05%) linmin: converged after 3 iterations. iteration 329: trace = 2.485887507641941 (2.88302e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.485887321590134 (7.48432e-06% change) large trace change predicted (2.62286e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.485886669509031 (2.62313e-05% change) linmin: converged after 17 iterations. iteration 332: trace = 2.485886271546526 (1.60089e-05% change) linmin: converged after 23 iterations. iteration 333: trace = 2.485886036669849 (9.44841e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.485885727686369 (1.24295e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.485885463547331 (1.06256e-05% change) linmin: converged after 5 iterations. iteration 336: trace = 2.48588538035897 (3.34643e-06% change) large trace change predicted (7.91677e-06%) linmin: converged after 3 iterations. iteration 337: trace = 2.485885183544672 (7.91727e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.485884977341013 (8.29498e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.4858849238718 (2.15091e-06% change) large trace change predicted (1.14147e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.485884640050627 (1.14173e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.485884455890573 (7.40823e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.48588431959591 (5.48274e-06% change) large trace change predicted (1.25046e-05%) linmin: converged after 3 iterations. iteration 343: trace = 2.485884008707377 (1.25062e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.485883631919509 (1.51571e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883543829701 (3.5436e-06% change) large trace change predicted (1.38635e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.485883199158217 (1.38652e-05% change) linmin: converged after 5 iterations. iteration 347: trace = 2.485883040870831 (6.36745e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.485882925940942 (4.6233e-06% change) large trace change predicted (3.41652e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.485882076662393 (3.41641e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.485881531845951 (2.19164e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.485881420376806 (4.48409e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.485881210121353 (8.45798e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881016334936 (7.79548e-06% change) linmin: converged after 23 iterations. iteration 354: trace = 2.485880937761203 (3.1608e-06% change) large trace change predicted (1.07913e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.485880669553119 (1.07893e-05% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880540272528 (5.2006e-06% change) linmin: converged after 12 iterations. iteration 357: trace = 2.485880411295024 (5.1884e-06% change) linmin: converged after 16 iterations. iteration 358: trace = 2.485880205524116 (8.27759e-06% change) linmin: converged after 5 iterations. iteration 359: trace = 2.485880077288831 (5.15855e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.485879944471353 (5.34288e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.485879801549053 (5.74936e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485879707457223 (3.78505e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.485879634528129 (2.93373e-06% change) large trace change predicted (8.03772e-06%) linmin: converged after 4 iterations. iteration 364: trace = 2.485879434740679 (8.03689e-06% change) linmin: converged after 28 iterations. iteration 365: trace = 2.485879331367719 (4.15841e-06% change) large trace change predicted (9.29068e-06%) linmin: converged after 4 iterations. iteration 366: trace = 2.485879100454452 (9.289e-06% change) linmin: converged after 5 iterations. iteration 367: trace = 2.485878837064779 (1.05954e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485878729131869 (4.34184e-06% change) large trace change predicted (1.2098e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878428408305 (1.20973e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878073758307 (1.42666e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.485877981221552 (3.7225e-06% change) large trace change predicted (1.13229e-05%) linmin: converged after 25 iterations. iteration 372: trace = 2.485877699742548 (1.13231e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.485877484507991 (8.65829e-06% change) linmin: converged after 4 iterations. iteration 374: trace = 2.485877418337438 (2.66186e-06% change) large trace change predicted (7.70211e-06%) linmin: converged after 4 iterations. iteration 375: trace = 2.485877226856576 (7.70275e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877013790351 (8.57107e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.485876955746806 (2.33493e-06% change) large trace change predicted (1.01283e-05%) linmin: converged after 4 iterations. iteration 378: trace = 2.485876703951327 (1.0129e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.485876519710565 (7.4115e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876419522392 (4.0303e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.48587629009486 (5.20652e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876114997457 (7.04369e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876067118848 (1.92603e-06% change) large trace change predicted (5.9119e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485875920162212 (5.91166e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485875699790946 (8.86493e-06% change) linmin: converged after 2 iterations. iteration 386: trace = 2.485875637547403 (2.50389e-06% change) large trace change predicted (1.44752e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.485875277674114 (1.44767e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.48587516732283 (4.43913e-06% change) large trace change predicted (1.0271e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.485874911966766 (1.02723e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874724965145 (7.52257e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874585810329 (5.59782e-06% change) linmin: converged after 2 iterations. iteration 392: trace = 2.485874475007122 (4.45731e-06% change) large trace change predicted (9.21703e-06%) linmin: converged after 5 iterations. iteration 393: trace = 2.485874245862277 (9.21788e-06% change) linmin: converged after 2 iterations. iteration 394: trace = 2.485874097138778 (5.98274e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.485874018548325 (3.16148e-06% change) large trace change predicted (9.11319e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.485873792000316 (9.11342e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873650025204 (5.71128e-06% change) linmin: converged after 2 iterations. iteration 398: trace = 2.485873575026428 (3.017e-06% change) large trace change predicted (6.83041e-06%) linmin: converged after 3 iterations. iteration 399: trace = 2.485873405232691 (6.83035e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.485873334427557 (2.8483e-06% change) linmin: converged after 8 iterations. iteration 401: trace = 2.485873226746033 (4.33174e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.485873102627311 (4.99296e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873013082879 (3.60213e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.485872848650845 (6.61466e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872606465885 (9.74245e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.485872500525659 (4.26169e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.485872340775921 (6.4263e-06% change) linmin: converged after 4 iterations. iteration 408: trace = 2.485872127636879 (8.57401e-06% change) linmin: converged after 27 iterations. iteration 409: trace = 2.485871977664941 (6.03297e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.48587178743392 (7.65249e-06% change) linmin: converged after 14 iterations. iteration 411: trace = 2.485871653136878 (5.40241e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871591977778 (2.46027e-06% change) large trace change predicted (5.14357e-06%) linmin: converged after 4 iterations. iteration 413: trace = 2.485871464120002 (5.14338e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871293319661 (6.87084e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.485871249562674 (1.76023e-06% change) large trace change predicted (6.72001e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.48587108249018 (6.72088e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.485870984250105 (3.95194e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485870952548725 (1.27526e-06% change) large trace change predicted (3.18047e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.485870873482373 (3.18063e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 420: trace = 2.485870826185133 (1.90264e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.485870804992696 (8.52516e-07% change) large trace change predicted (3.67275e-06%) linmin: converged after 16 iterations. iteration 422: trace = 2.485870713703668 (3.67232e-06% change) linmin: converged after 6 iterations. iteration 423: trace = 2.485870649459652 (2.58437e-06% change) linmin: converged after 26 iterations. iteration 424: trace = 2.485870579195577 (2.82654e-06% change) large trace change predicted (6.14005e-06%) linmin: converged after 3 iterations. iteration 425: trace = 2.48587042658298 (6.1392e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870387733369 (1.56282e-06% change) large trace change predicted (3.80478e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.48587029315704 (3.80456e-06% change) linmin: converged after 2 iterations. iteration 428: trace = 2.485870201672891 (3.68017e-06% change) linmin: converged after 10 iterations. iteration 429: trace = 2.485870167072535 (1.39188e-06% change) large trace change predicted (5.75033e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.485870024103886 (5.75125e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.485869898548686 (5.05075e-06% change) linmin: converged after 4 iterations. iteration 432: trace = 2.485869844610689 (2.16978e-06% change) large trace change predicted (5.09535e-06%) linmin: converged after 5 iterations. iteration 433: trace = 2.485869717931538 (5.09597e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869570860758 (5.91627e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.485869538405462 (1.30559e-06% change) large trace change predicted (5.01784e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.48586941365184 (5.01851e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.485869353111046 (2.4354e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.485869325966736 (1.09194e-06% change) large trace change predicted (2.91817e-06%) linmin: converged after 2 iterations. iteration 439: trace = 2.485869253421938 (2.91829e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.485869187405435 (2.65567e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.485869154122661 (1.33888e-06% change) large trace change predicted (3.93182e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.485869056381857 (3.93186e-06% change) linmin: converged after 7 iterations. iteration 443: trace = 2.485868990631439 (2.64497e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.485868950514359 (1.61381e-06% change) large trace change predicted (3.49854e-06%) linmin: converged after 11 iterations. iteration 445: trace = 2.48586886354771 (3.49844e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.48586877851952 (3.42046e-06% change) linmin: converged after 9 iterations. iteration 447: trace = 2.485868752222224 (1.05787e-06% change) large trace change predicted (3.20654e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.485868672520881 (3.20618e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.485868616373929 (2.25865e-06% change) linmin: converged after 7 iterations. iteration 450: trace = 2.485868588677285 (1.11416e-06% change) large trace change predicted (3.17835e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.485868509679706 (3.17787e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.48586843517151 (2.99727e-06% change) linmin: converged after 2 iterations. iteration 453: trace = 2.485868392214075 (1.72807e-06% change) linmin: converged after 20 iterations. iteration 454: trace = 2.485868313100681 (3.18253e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868274828585 (1.53959e-06% change) linmin: converged after 2 iterations. iteration 456: trace = 2.485868253101239 (8.74034e-07% change) large trace change predicted (2.03344e-06%) linmin: converged after 8 iterations. iteration 457: trace = 2.485868202554756 (2.03335e-06% change) linmin: converged after 7 iterations. iteration 458: trace = 2.485868180754217 (8.76979e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.485868151906752 (1.16046e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586810987279 (1.69092e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.485868059976598 (2.00719e-06% change) linmin: converged after 11 iterations. iteration 462: trace = 2.485868030641332 (1.18008e-06% change) large trace change predicted (3.03729e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.485867955143797 (3.03707e-06% change) linmin: converged after 7 iterations. iteration 464: trace = 2.485867933956875 (8.52295e-07% change) linmin: converged after 18 iterations. iteration 465: trace = 2.485867898022732 (1.44554e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867844866589 (2.13833e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867827753335 (6.88422e-07% change) large trace change predicted (2.05603e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.48586777664503 (2.05595e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.485867700976697 (3.04394e-06% change) linmin: converged after 6 iterations. iteration 470: trace = 2.485867681369146 (7.88761e-07% change) large trace change predicted (2.85284e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867610450966 (2.85285e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867560946671 (1.99143e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867528400795 (1.30924e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.485867502088975 (1.05846e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.485867470495856 (1.27091e-06% change) linmin: converged after 17 iterations. iteration 476: trace = 2.485867464037915 (2.59786e-07% change) large trace change predicted (8.49973e-07%) linmin: converged after 3 iterations. iteration 477: trace = 2.485867442908187 (8.49994e-07% change) linmin: converged after 5 iterations. iteration 478: trace = 2.485867424065592 (7.57989e-07% change) linmin: converged after 24 iterations. iteration 479: trace = 2.485867415467713 (3.4587e-07% change) large trace change predicted (1.17432e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.485867386273996 (1.17439e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.485867357807119 (1.14515e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867343996171 (5.55579e-07% change) linmin: converged after 2 iterations. iteration 483: trace = 2.485867316968237 (1.08726e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.48586729751084 (7.82721e-07% change) linmin: converged after 3 iterations. iteration 485: trace = 2.485867273695258 (9.58039e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.485867232206363 (1.66899e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.485867213588743 (7.48939e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867197120823 (6.62462e-07% change) large trace change predicted (3.32071e-06%) linmin: converged after 3 iterations. iteration 489: trace = 2.48586711456449 (3.32103e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.485867057641508 (2.28986e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867045958281 (4.69986e-07% change) large trace change predicted (1.18401e-06%) linmin: converged after 2 iterations. iteration 492: trace = 2.485867016525217 (1.18402e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.485866998923883 (7.08056e-07% change) linmin: converged after 6 iterations. iteration 494: trace = 2.48586698163748 (6.95387e-07% change) linmin: converged after 4 iterations. iteration 495: trace = 2.485866953304781 (1.13975e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.485866942582915 (4.31313e-07% change) linmin: converged after 12 iterations. iteration 497: trace = 2.485866926918081 (6.30156e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.4858669057752 (8.50523e-07% change) linmin: converged after 5 iterations. iteration 499: trace = 2.485866895686453 (4.05844e-07% change) linmin: converged after 10 iterations. iteration 500: trace = 2.485866878962881 (6.72746e-07% change) linmin: converged after 4 iterations. iteration 501: trace = 2.485866862334349 (6.68923e-07% change) linmin: converged after 23 iterations. iteration 502: trace = 2.485866855253454 (2.84846e-07% change) linmin: converged after 5 iterations. iteration 503: trace = 2.485866841566453 (5.50593e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.485866821485023 (8.07824e-07% change) linmin: converged after 9 iterations. iteration 505: trace = 2.485866815467968 (2.42051e-07% change) large trace change predicted (1.31005e-06%) linmin: converged after 5 iterations. iteration 506: trace = 2.485866782902573 (1.31002e-06% change) linmin: converged after 13 iterations. iteration 507: trace = 2.485866758698175 (9.7368e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866745310048 (5.3857e-07% change) large trace change predicted (1.65922e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.485866704064841 (1.65919e-06% change) linmin: converged after 10 iterations. iteration 510: trace = 2.485866675385664 (1.15369e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.485866651966378 (9.42097e-07% change) linmin: converged after 2 iterations. iteration 512: trace = 2.485866617539643 (1.3849e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.48586659685221 (8.32202e-07% change) linmin: converged after 23 iterations. iteration 514: trace = 2.485866587209584 (3.87898e-07% change) large trace change predicted (9.62888e-07%) linmin: converged after 3 iterations. iteration 515: trace = 2.485866563272827 (9.62914e-07% change) linmin: converged after 2 iterations. iteration 516: trace = 2.485866544787994 (7.43597e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.485866532302611 (5.02255e-07% change) large trace change predicted (1.12845e-06%) linmin: converged after 19 iterations. iteration 518: trace = 2.485866504250144 (1.12848e-06% change) linmin: converged after 7 iterations. iteration 519: trace = 2.485866482402194 (8.78887e-07% change) linmin: converged after 7 iterations. iteration 520: trace = 2.485866470636628 (4.73298e-07% change) linmin: converged after 18 iterations. iteration 521: trace = 2.485866457128474 (5.43398e-07% change) linmin: converged after 2 iterations. iteration 522: trace = 2.485866434636247 (9.04804e-07% change) linmin: converged after 16 iterations. iteration 523: trace = 2.485866429450478 (2.0861e-07% change) large trace change predicted (7.45031e-07%) linmin: converged after 4 iterations. iteration 524: trace = 2.485866410930361 (7.45017e-07% change) linmin: converged after 6 iterations. iteration 525: trace = 2.485866386554031 (9.80597e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.485866379448863 (2.85823e-07% change) large trace change predicted (1.33751e-06%) linmin: converged after 3 iterations. iteration 527: trace = 2.485866346199174 (1.33755e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.485866325278606 (8.41581e-07% change) linmin: converged after 16 iterations. iteration 529: trace = 2.485866308319103 (6.82237e-07% change) linmin: converged after 26 iterations. iteration 530: trace = 2.485866286243084 (8.88061e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.48586627228336 (5.61564e-07% change) linmin: converged after 3 iterations. iteration 532: trace = 2.485866254795329 (7.03498e-07% change) linmin: converged after 2 iterations. iteration 533: trace = 2.485866225060005 (1.19618e-06% change) linmin: converged after 4 iterations. iteration 534: trace = 2.485866219383023 (2.2837e-07% change) large trace change predicted (8.98148e-07%) linmin: converged after 5 iterations. iteration 535: trace = 2.485866197055422 (8.98182e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.485866174206045 (9.19172e-07% change) linmin: converged after 4 iterations. iteration 537: trace = 2.485866165051766 (3.68253e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866146926398 (7.29137e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.485866128585155 (7.37821e-07% change) linmin: converged after 2 iterations. iteration 540: trace = 2.485866122226289 (2.55801e-07% change) large trace change predicted (5.71085e-07%) linmin: converged after 8 iterations. iteration 541: trace = 2.485866108030621 (5.71055e-07% change) linmin: converged after 18 iterations. iteration 542: trace = 2.485866092245941 (6.34977e-07% change) linmin: converged after 4 iterations. iteration 543: trace = 2.48586607536496 (6.79078e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.485866067343571 (3.2268e-07% change) large trace change predicted (1.28422e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.485866035423817 (1.28405e-06% change) linmin: converged after 8 iterations. iteration 546: trace = 2.485866028410034 (2.82146e-07% change) large trace change predicted (7.52651e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485866009701284 (7.52605e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.485865979770214 (1.20405e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.485865972807352 (2.80098e-07% change) large trace change predicted (9.17409e-07%) linmin: converged after 9 iterations. iteration 550: trace = 2.485865950002962 (9.17362e-07% change) linmin: converged after 13 iterations. iteration 551: trace = 2.485865934630411 (6.18398e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.485865925309786 (3.74945e-07% change) linmin: converged after 3 iterations. iteration 553: trace = 2.485865913881186 (4.59743e-07% change) linmin: converged after 7 iterations. iteration 554: trace = 2.485865893445994 (8.22055e-07% change) linmin: converged after 16 iterations. iteration 555: trace = 2.48586588884364 (1.85141e-07% change) large trace change predicted (6.37125e-07%) linmin: converged after 8 iterations. iteration 556: trace = 2.485865873004923 (6.37151e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.485865861804665 (4.50558e-07% change) linmin: converged after 13 iterations. iteration 558: trace = 2.485865858472451 (1.34046e-07% change) large trace change predicted (3.23355e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.485865850434236 (3.23357e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.485865844733147 (2.2934e-07% change) linmin: converged after 2 iterations. iteration 561: trace = 2.485865842155373 (1.03697e-07% change) large trace change predicted (4.06423e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.485865832052445 (4.06415e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.485865820573998 (4.61748e-07% change) linmin: converged after 10 iterations. iteration 564: trace = 2.485865816588163 (1.6034e-07% change) large trace change predicted (6.88603e-07%) linmin: converged after 3 iterations. iteration 565: trace = 2.485865799471213 (6.88571e-07% change) linmin: converged after 4 iterations. iteration 566: trace = 2.485865790408108 (3.64585e-07% change) linmin: converged after 12 iterations. iteration 567: trace = 2.485865783371182 (2.83077e-07% change) linmin: converged after 6 iterations. iteration 568: trace = 2.485865772529407 (4.36137e-07% change) linmin: converged after 3 iterations. iteration 569: trace = 2.485865761566611 (4.41005e-07% change) linmin: converged after 15 iterations. iteration 570: trace = 2.485865756451572 (2.05765e-07% change) large trace change predicted (8.11517e-07%) linmin: converged after 17 iterations. iteration 571: trace = 2.485865736277328 (8.11558e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865726603568 (3.89151e-07% change) linmin: converged after 17 iterations. iteration 573: trace = 2.485865719003215 (3.05743e-07% change) large trace change predicted (6.89724e-07%) linmin: converged after 6 iterations. iteration 574: trace = 2.485865701856612 (6.89764e-07% change) linmin: converged after 3 iterations. iteration 575: trace = 2.48586569682056 (2.02587e-07% change) large trace change predicted (4.2037e-07%) linmin: converged after 30 iterations. iteration 576: trace = 2.48586568637046 (4.20381e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865676963987 (3.78398e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.485865669449849 (3.02274e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.485865666637312 (1.13141e-07% change) large trace change predicted (4.02875e-07%) linmin: converged after 2 iterations. iteration 580: trace = 2.485865656622382 (4.02875e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.485865649578717 (2.83349e-07% change) linmin: converged after 3 iterations. iteration 582: trace = 2.485865643796943 (2.32586e-07% change) linmin: converged after 4 iterations. iteration 583: trace = 2.485865634275493 (3.83024e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865629936387 (1.74551e-07% change) linmin: converged after 5 iterations. iteration 585: trace = 2.485865621585913 (3.35918e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.485865612131176 (3.8034e-07% change) linmin: converged after 19 iterations. iteration 587: trace = 2.485865607162968 (1.99858e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.485865600321092 (2.75231e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.485865592565611 (3.11983e-07% change) linmin: converged after 4 iterations. iteration 590: trace = 2.485865582337389 (4.11455e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.485865579894424 (9.82742e-08% change) large trace change predicted (4.71046e-07%) linmin: converged after 4 iterations. iteration 592: trace = 2.485865568185215 (4.71031e-07% change) linmin: converged after 4 iterations. iteration 593: trace = 2.485865561376026 (2.73916e-07% change) linmin: converged after 10 iterations. iteration 594: trace = 2.485865557644762 (1.50099e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865551599242 (2.43196e-07% change) linmin: converged after 10 iterations. iteration 596: trace = 2.485865547584703 (1.61495e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865545003239 (1.03846e-07% change) large trace change predicted (2.22066e-07%) linmin: converged after 11 iterations. iteration 598: trace = 2.485865539483061 (2.22063e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.485865537475806 (8.07468e-08% change) linmin: converged after 10 iterations. iteration 600: trace = 2.48586553400883 (1.39468e-07% change) large trace change predicted (3.1433e-07%) linmin: converged after 29 iterations. iteration 601: trace = 2.485865526195186 (3.14323e-07% change) linmin: converged after 6 iterations. iteration 602: trace = 2.485865524444503 (7.04255e-08% change) large trace change predicted (3.51691e-07%) linmin: converged after 29 iterations. iteration 603: trace = 2.4858655157022 (3.5168e-07% change) linmin: converged after 3 iterations. iteration 604: trace = 2.485865512036334 (1.47468e-07% change) linmin: converged after 3 iterations. iteration 605: trace = 2.485865509036929 (1.20658e-07% change) large trace change predicted (2.49265e-07%) linmin: converged after 4 iterations. iteration 606: trace = 2.485865502840596 (2.49263e-07% change) linmin: converged after 4 iterations. iteration 607: trace = 2.485865496739603 (2.45427e-07% change) linmin: converged after 3 iterations. iteration 608: trace = 2.485865493544551 (1.28529e-07% change) large trace change predicted (3.03295e-07%) linmin: converged after 2 iterations. iteration 609: trace = 2.485865486005023 (3.03296e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.485865478281951 (3.10679e-07% change) linmin: converged after 9 iterations. iteration 611: trace = 2.485865475093133 (1.28278e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.485865470269514 (1.94042e-07% change) linmin: converged after 3 iterations. iteration 613: trace = 2.485865464656645 (2.25791e-07% change) linmin: converged after 6 iterations. iteration 614: trace = 2.485865463457966 (4.82198e-08% change) large trace change predicted (1.26418e-07%) linmin: converged after 3 iterations. iteration 615: trace = 2.485865460315384 (1.26418e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865457854387 (9.89996e-08% change) linmin: converged after 10 iterations. iteration 617: trace = 2.485865457051189 (3.23106e-08% change) large trace change predicted (8.13637e-08%) linmin: converged after 6 iterations. iteration 618: trace = 2.485865455028589 (8.1364e-08% change) large trace change predicted (1.66334e-07%) linmin: converged after 6 iterations. iteration 619: trace = 2.48586545089363 (1.66339e-07% change) linmin: converged after 7 iterations. iteration 620: trace = 2.485865449391608 (6.04225e-08% change) large trace change predicted (1.2434e-07%) linmin: converged after 3 iterations. iteration 621: trace = 2.485865446300608 (1.24343e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.485865443530234 (1.11445e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865442437396 (4.3962e-08% change) large trace change predicted (1.5659e-07%) linmin: converged after 9 iterations. iteration 624: trace = 2.485865438544738 (1.56592e-07% change) linmin: converged after 5 iterations. iteration 625: trace = 2.485865434233767 (1.73419e-07% change) linmin: converged after 3 iterations. iteration 626: trace = 2.485865432921712 (5.27806e-08% change) large trace change predicted (1.31241e-07%) linmin: converged after 4 iterations. iteration 627: trace = 2.485865429659247 (1.31241e-07% change) linmin: converged after 10 iterations. iteration 628: trace = 2.485865424074237 (2.24671e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.4858654189613 (2.0568e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 630: trace = 2.485865414673208 (1.72499e-07% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865410031079 (1.86741e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.485865407406708 (1.05572e-07% change) linmin: converged after 2 iterations. iteration 633: trace = 2.485865406361928 (4.20288e-08% change) large trace change predicted (1.56999e-07%) linmin: converged after 10 iterations. iteration 634: trace = 2.48586540245919 (1.56997e-07% change) linmin: converged after 6 iterations. iteration 635: trace = 2.48586540108244 (5.53831e-08% change) linmin: converged after 4 iterations. iteration 636: trace = 2.485865398698173 (9.5913e-08% change) linmin: converged after 10 iterations. iteration 637: trace = 2.485865396559737 (8.60238e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865395319194 (4.99039e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.485865393100004 (8.92723e-08% change) linmin: converged after 6 iterations. iteration 640: trace = 2.485865391050644 (8.24405e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865390159427 (3.58514e-08% change) large trace change predicted (7.74287e-08%) linmin: converged after 8 iterations. iteration 642: trace = 2.485865388234679 (7.74277e-08% change) linmin: converged after 4 iterations. iteration 643: trace = 2.485865386666726 (6.30747e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865385934395 (2.94598e-08% change) large trace change predicted (8.40095e-08%) linmin: converged after 13 iterations. iteration 645: trace = 2.485865383846058 (8.40084e-08% change) linmin: converged after 10 iterations. iteration 646: trace = 2.485865380374393 (1.39656e-07% change) linmin: converged after 3 iterations. iteration 647: trace = 2.48586537917629 (4.81966e-08% change) large trace change predicted (1.63278e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.48586537511743 (1.63278e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865371056728 (1.63352e-07% change) linmin: converged after 5 iterations. iteration 650: trace = 2.485865369229074 (7.35218e-08% change) large trace change predicted (1.70757e-07%) linmin: converged after 4 iterations. iteration 651: trace = 2.485865364984301 (1.70756e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.48586536070935 (1.7197e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.485865359806858 (3.63049e-08% change) large trace change predicted (9.38812e-08%) linmin: converged after 3 iterations. iteration 654: trace = 2.485865357473095 (9.38813e-08% change) linmin: converged after 7 iterations. iteration 655: trace = 2.485865354642338 (1.13874e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865353927379 (2.8761e-08% change) large trace change predicted (1.40748e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.485865350428529 (1.4075e-07% change) linmin: converged after 12 iterations. iteration 658: trace = 2.485865347466102 (1.19171e-07% change) linmin: converged after 16 iterations. iteration 659: trace = 2.485865346417917 (4.21658e-08% change) large trace change predicted (9.11613e-08%) linmin: converged after 4 iterations. iteration 660: trace = 2.485865344151758 (9.11618e-08% change) linmin: converged after 2 iterations. iteration 661: trace = 2.485865342060137 (8.41406e-08% change) linmin: converged after 9 iterations. iteration 662: trace = 2.485865341421666 (2.56841e-08% change) large trace change predicted (8.67118e-08%) linmin: converged after 4 iterations. iteration 663: trace = 2.485865339266117 (8.67122e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865336522592 (1.10365e-07% change) linmin: converged after 3 iterations. iteration 665: trace = 2.485865335180294 (5.39972e-08% change) linmin: converged after 5 iterations. iteration 666: trace = 2.485865332796258 (9.59037e-08% change) linmin: converged after 13 iterations. iteration 667: trace = 2.485865329674657 (1.25574e-07% change) linmin: converged after 6 iterations. iteration 668: trace = 2.485865328824774 (3.41886e-08% change) large trace change predicted (1.80662e-07%) linmin: converged after 4 iterations. iteration 669: trace = 2.485865324333723 (1.80663e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.485865321742925 (1.04221e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865320592151 (4.62927e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.48586531844413 (8.64094e-08% change) linmin: converged after 4 iterations. iteration 673: trace = 2.48586531527262 (1.27582e-07% change) linmin: converged after 18 iterations. iteration 674: trace = 2.485865314729993 (2.18285e-08% change) large trace change predicted (1.36886e-07%) linmin: converged after 5 iterations. iteration 675: trace = 2.485865311327138 (1.36888e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.485865309542765 (7.17808e-08% change) linmin: converged after 19 iterations. iteration 677: trace = 2.485865308831797 (2.86004e-08% change) large trace change predicted (1.20553e-07%) linmin: converged after 5 iterations. iteration 678: trace = 2.485865305835011 (1.20553e-07% change) linmin: converged after 8 iterations. iteration 679: trace = 2.485865303591792 (9.0239e-08% change) linmin: converged after 6 iterations. iteration 680: trace = 2.485865302919009 (2.70643e-08% change) large trace change predicted (6.50814e-08%) linmin: converged after 11 iterations. iteration 681: trace = 2.485865301301208 (6.508e-08% change) linmin: converged after 7 iterations. iteration 682: trace = 2.485865299454421 (7.42915e-08% change) linmin: converged after 5 iterations. iteration 683: trace = 2.485865298778789 (2.71789e-08% change) large trace change predicted (9.57574e-08%) linmin: converged after 7 iterations. iteration 684: trace = 2.485865296398433 (9.57556e-08% change) linmin: converged after 4 iterations. iteration 685: trace = 2.485865294618838 (7.15885e-08% change) linmin: converged after 6 iterations. iteration 686: trace = 2.485865292437984 (8.77302e-08% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865289262637 (1.27736e-07% change) linmin: converged after 22 iterations. iteration 688: trace = 2.485865287396805 (7.50576e-08% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865285632241 (7.09839e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865283336916 (9.23351e-08% change) linmin: converged after 4 iterations. iteration 691: trace = 2.485865281778118 (6.27064e-08% change) linmin: converged after 4 iterations. iteration 692: trace = 2.485865280724808 (4.2372e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.485865279314348 (5.67392e-08% change) linmin: converged after 24 iterations. iteration 694: trace = 2.485865277591477 (6.93067e-08% change) linmin: converged after 4 iterations. iteration 695: trace = 2.485865276676544 (3.68054e-08% change) large trace change predicted (8.90046e-08%) linmin: converged after 3 iterations. iteration 696: trace = 2.485865274463961 (8.90065e-08% change) linmin: converged after 4 iterations. iteration 697: trace = 2.485865273159759 (5.24647e-08% change) linmin: converged after 13 iterations. iteration 698: trace = 2.485865272743319 (1.67523e-08% change) linmin: converged after 5 iterations. iteration 699: trace = 2.485865272023116 (2.89719e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865271415558 (2.44405e-08% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865271117603 (1.1986e-08% change) large trace change predicted (5.14264e-08%) linmin: converged after 4 iterations. iteration 702: trace = 2.485865269839217 (5.14262e-08% change) linmin: converged after 39 iterations. iteration 703: trace = 2.485865268744354 (4.40435e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.485865267852897 (3.5861e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.485865266289203 (6.29034e-08% change) linmin: converged after 31 iterations. iteration 706: trace = 2.485865265494137 (3.19835e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865264658684 (3.36082e-08% change) large trace change predicted (7.3697e-08%) linmin: converged after 4 iterations. iteration 708: trace = 2.485865262826664 (7.36975e-08% change) linmin: converged after 11 iterations. iteration 709: trace = 2.485865262458677 (1.48032e-08% change) large trace change predicted (6.33553e-08%) linmin: converged after 4 iterations. iteration 710: trace = 2.485865260883734 (6.33559e-08% change) linmin: converged after 5 iterations. iteration 711: trace = 2.48586525897413 (7.68185e-08% change) linmin: converged after 4 iterations. iteration 712: trace = 2.48586525712356 (7.44437e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865256513271 (2.45504e-08% change) large trace change predicted (7.99782e-08%) linmin: converged after 12 iterations. iteration 714: trace = 2.485865254525071 (7.99802e-08% change) linmin: converged after 24 iterations. iteration 715: trace = 2.485865253806515 (2.89057e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.485865252938782 (3.49067e-08% change) linmin: converged after 3 iterations. iteration 717: trace = 2.485865251860567 (4.33738e-08% change) linmin: converged after 2 iterations. iteration 718: trace = 2.485865251188401 (2.70395e-08% change) linmin: converged after 5 iterations. iteration 719: trace = 2.485865250555583 (2.54566e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865249319797 (4.97125e-08% change) linmin: converged after 26 iterations. iteration 721: trace = 2.48586524848038 (3.37676e-08% change) linmin: converged after 3 iterations. iteration 722: trace = 2.485865248003488 (1.91842e-08% change) large trace change predicted (4.66138e-08%) linmin: converged after 24 iterations. iteration 723: trace = 2.485865246844736 (4.66136e-08% change) linmin: converged after 4 iterations. iteration 724: trace = 2.48586524597349 (3.5048e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865245063576 (3.66035e-08% change) linmin: converged after 3 iterations. iteration 726: trace = 2.485865244054649 (4.05865e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.485865243725575 (1.32378e-08% change) large trace change predicted (3.13246e-08%) linmin: converged after 6 iterations. iteration 728: trace = 2.485865242946899 (3.13242e-08% change) linmin: converged after 10 iterations. iteration 729: trace = 2.485865241719817 (4.93623e-08% change) linmin: converged after 6 iterations. iteration 730: trace = 2.485865240670502 (4.22113e-08% change) linmin: converged after 3 iterations. iteration 731: trace = 2.485865240223687 (1.79742e-08% change) large trace change predicted (3.89778e-08%) linmin: converged after 5 iterations. iteration 732: trace = 2.485865239254756 (3.89776e-08% change) linmin: converged after 5 iterations. iteration 733: trace = 2.485865238307129 (3.81206e-08% change) linmin: converged after 4 iterations. iteration 734: trace = 2.485865237943885 (1.46124e-08% change) large trace change predicted (3.65838e-08%) linmin: converged after 26 iterations. iteration 735: trace = 2.485865237034468 (3.65835e-08% change) linmin: converged after 24 iterations. iteration 736: trace = 2.485865236627105 (1.63872e-08% change) linmin: converged after 16 iterations. iteration 737: trace = 2.485865236250152 (1.51639e-08% change) linmin: converged after 4 iterations. iteration 738: trace = 2.485865235607335 (2.58589e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865235096384 (2.05543e-08% change) linmin: converged after 6 iterations. iteration 740: trace = 2.485865234862481 (9.40931e-09% change) large trace change predicted (3.93846e-08%) linmin: converged after 4 iterations. iteration 741: trace = 2.485865233883437 (3.93845e-08% change) linmin: converged after 4 iterations. iteration 742: trace = 2.485865233228887 (2.63308e-08% change) linmin: converged after 8 iterations. iteration 743: trace = 2.485865232804265 (1.70815e-08% change) linmin: converged after 6 iterations. iteration 744: trace = 2.485865232250929 (2.22593e-08% change) linmin: converged after 3 iterations. iteration 745: trace = 2.485865231732347 (2.08612e-08% change) linmin: converged after 4 iterations. iteration 746: trace = 2.485865231288686 (1.78473e-08% change) large trace change predicted (3.58944e-08%) linmin: converged after 9 iterations. iteration 747: trace = 2.485865230396402 (3.58943e-08% change) linmin: converged after 4 iterations. iteration 748: trace = 2.485865229966914 (1.72772e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.485865229389344 (2.32342e-08% change) linmin: converged after 34 iterations. iteration 750: trace = 2.485865228489613 (3.61939e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.485865228039602 (1.81028e-08% change) linmin: converged after 3 iterations. iteration 752: trace = 2.485865227351344 (2.76869e-08% change) linmin: converged after 10 iterations. iteration 753: trace = 2.485865226803621 (2.20335e-08% change) linmin: converged after 20 iterations. iteration 754: trace = 2.485865226590944 (8.55543e-09% change) linmin: converged after 5 iterations. iteration 755: trace = 2.485865226384067 (8.32212e-09% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226057106 (1.31528e-08% change) linmin: converged after 6 iterations. iteration 757: trace = 2.485865225762772 (1.18403e-08% change) linmin: converged after 4 iterations. iteration 758: trace = 2.485865225642683 (4.83087e-09% change) large trace change predicted (1.46655e-08%) linmin: converged after 4 iterations. iteration 759: trace = 2.485865225278115 (1.46657e-08% change) linmin: converged after 12 iterations. iteration 760: trace = 2.485865224985111 (1.17868e-08% change) linmin: converged after 26 iterations. iteration 761: trace = 2.485865224863446 (4.89425e-09% change) large trace change predicted (1.99094e-08%) linmin: converged after 4 iterations. iteration 762: trace = 2.48586522436852 (1.99096e-08% change) linmin: converged after 2 iterations. iteration 763: trace = 2.485865223949761 (1.68456e-08% change) linmin: converged after 7 iterations. iteration 764: trace = 2.485865223741473 (8.37888e-09% change) large trace change predicted (2.27835e-08%) linmin: converged after 2 iterations. iteration 765: trace = 2.485865223175105 (2.27835e-08% change) linmin: converged after 3 iterations. iteration 766: trace = 2.48586522293947 (9.479e-09% change) linmin: converged after 3 iterations. iteration 767: trace = 2.485865222696591 (9.77039e-09% change) large trace change predicted (2.52911e-08%) linmin: converged after 27 iterations. iteration 768: trace = 2.485865222067885 (2.52912e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.485865221437768 (2.5348e-08% change) resetting CG direction... linmin: converged after 22 iterations. iteration 770: trace = 2.485865220865312 (2.30284e-08% change) linmin: converged after 12 iterations. iteration 771: trace = 2.485865220310167 (2.23321e-08% change) linmin: converged after 5 iterations. iteration 772: trace = 2.485865220107325 (8.1598e-09% change) linmin: converged after 3 iterations. iteration 773: trace = 2.485865219903554 (8.1972e-09% change) large trace change predicted (1.74089e-08%) linmin: converged after 4 iterations. iteration 774: trace = 2.485865219470791 (1.74089e-08% change) linmin: converged after 3 iterations. iteration 775: trace = 2.485865219288953 (7.3149e-09% change) linmin: converged after 4 iterations. iteration 776: trace = 2.485865219062259 (9.11933e-09% change) linmin: converged after 7 iterations. iteration 777: trace = 2.485865218810099 (1.01437e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.485865218608225 (8.12088e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865218348002 (1.04681e-08% change) linmin: converged after 8 iterations. iteration 780: trace = 2.485865218041855 (1.23155e-08% change) linmin: converged after 20 iterations. iteration 781: trace = 2.485865217959228 (3.32385e-09% change) large trace change predicted (9.75258e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.485865217716791 (9.75265e-09% change) linmin: converged after 7 iterations. iteration 783: trace = 2.4858652175314 (7.4578e-09% change) linmin: converged after 20 iterations. iteration 784: trace = 2.485865217452788 (3.16237e-09% change) large trace change predicted (1.04855e-08%) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217192133 (1.04855e-08% change) linmin: converged after 19 iterations. iteration 786: trace = 2.485865216834291 (1.4395e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.485865216734612 (4.00986e-09% change) large trace change predicted (2.1219e-08%) linmin: converged after 4 iterations. iteration 788: trace = 2.485865216207141 (2.12188e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.485865215795744 (1.65494e-08% change) linmin: converged after 2 iterations. iteration 790: trace = 2.485865215593066 (8.15323e-09% change) large trace change predicted (2.28273e-08%) linmin: converged after 31 iterations. iteration 791: trace = 2.485865215025612 (2.28272e-08% change) linmin: converged after 4 iterations. iteration 792: trace = 2.485865214614533 (1.65366e-08% change) linmin: converged after 5 iterations. iteration 793: trace = 2.485865214494209 (4.84032e-09% change) large trace change predicted (1.01532e-08%) linmin: converged after 13 iterations. iteration 794: trace = 2.485865214241815 (1.01532e-08% change) linmin: converged after 6 iterations. iteration 795: trace = 2.485865213852176 (1.56742e-08% change) linmin: converged after 18 iterations. iteration 796: trace = 2.485865213720877 (5.28184e-09% change) large trace change predicted (1.39191e-08%) linmin: converged after 7 iterations. iteration 797: trace = 2.485865213374864 (1.39192e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.485865212945815 (1.72595e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.48586521266099 (1.14578e-08% change) linmin: converged after 13 iterations. iteration 800: trace = 2.485865212567412 (3.7644e-09% change) large trace change predicted (1.12588e-08%) linmin: converged after 4 iterations. iteration 801: trace = 2.485865212287532 (1.12588e-08% change) linmin: converged after 18 iterations. iteration 802: trace = 2.485865212026706 (1.04924e-08% change) linmin: converged after 5 iterations. iteration 803: trace = 2.485865211904198 (4.92819e-09% change) linmin: converged after 2 iterations. iteration 804: trace = 2.485865211667466 (9.52312e-09% change) linmin: converged after 4 iterations. iteration 805: trace = 2.485865211201899 (1.87286e-08% change) linmin: converged after 16 iterations. iteration 806: trace = 2.485865211081857 (4.82897e-09% change) large trace change predicted (1.51917e-08%) linmin: converged after 9 iterations. iteration 807: trace = 2.485865210704213 (1.51917e-08% change) linmin: converged after 12 iterations. iteration 808: trace = 2.485865210293881 (1.65066e-08% change) linmin: converged after 4 iterations. iteration 809: trace = 2.485865210138886 (6.23504e-09% change) large trace change predicted (1.39669e-08%) linmin: converged after 2 iterations. iteration 810: trace = 2.485865209791687 (1.39669e-08% change) linmin: converged after 22 iterations. iteration 811: trace = 2.485865209588846 (8.15979e-09% change) linmin: converged after 4 iterations. iteration 812: trace = 2.48586520947013 (4.77565e-09% change) large trace change predicted (1.35224e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.485865209133982 (1.35224e-08% change) linmin: converged after 38 iterations. iteration 814: trace = 2.485865208976297 (6.34326e-09% change) linmin: converged after 24 iterations. iteration 815: trace = 2.485865208786199 (7.64718e-09% change) linmin: converged after 3 iterations. iteration 816: trace = 2.485865208499631 (1.15279e-08% change) linmin: converged after 3 iterations. iteration 817: trace = 2.485865208337084 (6.53884e-09% change) linmin: converged after 8 iterations. iteration 818: trace = 2.48586520806555 (1.09231e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.485865207759708 (1.23032e-08% change) linmin: converged after 18 iterations. iteration 820: trace = 2.485865207673526 (3.46689e-09% change) large trace change predicted (9.07615e-09%) linmin: converged after 12 iterations. iteration 821: trace = 2.485865207447906 (9.07611e-09% change) linmin: converged after 16 iterations. iteration 822: trace = 2.485865207210614 (9.54565e-09% change) linmin: converged after 17 iterations. iteration 823: trace = 2.485865207067391 (5.76149e-09% change) linmin: converged after 7 iterations. iteration 824: trace = 2.485865206864954 (8.14355e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.48586520646312 (1.61647e-08% change) linmin: converged after 23 iterations. iteration 826: trace = 2.485865206110911 (1.41685e-08% change) linmin: converged after 17 iterations. iteration 827: trace = 2.485865205972392 (5.57226e-09% change) large trace change predicted (1.2491e-08%) linmin: converged after 4 iterations. iteration 828: trace = 2.485865205661884 (1.2491e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.485865205349487 (1.25669e-08% change) linmin: converged after 4 iterations. iteration 830: trace = 2.48586520529418 (2.22485e-09% change) large trace change predicted (1.08175e-08%) linmin: converged after 4 iterations. iteration 831: trace = 2.485865205025275 (1.08174e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.485865204878929 (5.88715e-09% change) linmin: converged after 21 iterations. iteration 833: trace = 2.485865204765346 (4.56913e-09% change) linmin: converged after 6 iterations. iteration 834: trace = 2.485865204589559 (7.07148e-09% change) linmin: converged after 5 iterations. iteration 835: trace = 2.485865204344899 (9.84206e-09% change) linmin: converged after 4 iterations. iteration 836: trace = 2.485865204291943 (2.13026e-09% change) large trace change predicted (6.47316e-09%) linmin: converged after 3 iterations. iteration 837: trace = 2.485865204131031 (6.4731e-09% change) linmin: converged after 17 iterations. iteration 838: trace = 2.485865204034483 (3.88387e-09% change) linmin: converged after 15 iterations. iteration 839: trace = 2.485865203980557 (2.16931e-09% change) resetting CG direction... linmin: converged after 15 iterations. iteration 840: trace = 2.485865203928408 (2.09782e-09% change) linmin: converged after 19 iterations. iteration 841: trace = 2.48586520383685 (3.68316e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.485865203699446 (5.52739e-09% change) linmin: converged after 22 iterations. iteration 843: trace = 2.485865203646733 (2.12051e-09% change) large trace change predicted (8.22698e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865203442224 (8.2269e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865203352047 (3.62758e-09% change) linmin: converged after 27 iterations. iteration 846: trace = 2.485865203230271 (4.89872e-09% change) linmin: converged after 6 iterations. iteration 847: trace = 2.485865203104849 (5.04542e-09% change) linmin: converged after 14 iterations. iteration 848: trace = 2.485865203052855 (2.09158e-09% change) large trace change predicted (7.5325e-09%) linmin: converged after 5 iterations. iteration 849: trace = 2.48586520286561 (7.5324e-09% change) linmin: converged after 2 iterations. iteration 850: trace = 2.485865202654902 (8.47622e-09% change) linmin: converged after 23 iterations. iteration 851: trace = 2.485865202588483 (2.67186e-09% change) large trace change predicted (9.92203e-09%) linmin: converged after 4 iterations. iteration 852: trace = 2.485865202341836 (9.922e-09% change) linmin: converged after 19 iterations. iteration 853: trace = 2.48586520214702 (7.83692e-09% change) linmin: converged after 19 iterations. iteration 854: trace = 2.485865202073664 (2.95096e-09% change) large trace change predicted (9.42943e-09%) linmin: converged after 6 iterations. iteration 855: trace = 2.485865201839256 (9.4296e-09% change) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201700119 (5.59713e-09% change) linmin: converged after 2 iterations. iteration 857: trace = 2.485865201646803 (2.14477e-09% change) large trace change predicted (5.53964e-09%) linmin: converged after 4 iterations. iteration 858: trace = 2.485865201509094 (5.53968e-09% change) linmin: converged after 22 iterations. iteration 859: trace = 2.485865201369287 (5.62409e-09% change) linmin: converged after 18 iterations. iteration 860: trace = 2.485865201238217 (5.2726e-09% change) linmin: converged after 8 iterations. iteration 861: trace = 2.485865201183991 (2.18137e-09% change) large trace change predicted (7.48986e-09%) linmin: converged after 21 iterations. iteration 862: trace = 2.485865200997803 (7.48987e-09% change) linmin: converged after 27 iterations. iteration 863: trace = 2.485865200916401 (3.27461e-09% change) linmin: converged after 13 iterations. iteration 864: trace = 2.485865200850357 (2.65678e-09% change) linmin: converged after 36 iterations. iteration 865: trace = 2.485865200719296 (5.27225e-09% change) linmin: converged after 6 iterations. iteration 866: trace = 2.485865200655839 (2.55272e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200571492 (3.39304e-09% change) linmin: converged after 4 iterations. iteration 868: trace = 2.485865200458637 (4.53987e-09% change) linmin: converged after 3 iterations. iteration 869: trace = 2.485865200338493 (4.8331e-09% change) linmin: converged after 9 iterations. iteration 870: trace = 2.485865200280188 (2.34548e-09% change) large trace change predicted (5.40977e-09%) linmin: converged after 12 iterations. iteration 871: trace = 2.485865200145709 (5.40973e-09% change) linmin: converged after 13 iterations. iteration 872: trace = 2.485865200015914 (5.22133e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199974659 (1.65957e-09% change) large trace change predicted (4.14224e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199871688 (4.14226e-09% change) linmin: converged after 16 iterations. iteration 875: trace = 2.485865199781076 (3.64509e-09% change) linmin: converged after 2 iterations. iteration 876: trace = 2.485865199752428 (1.15243e-09% change) large trace change predicted (3.26878e-09%) linmin: converged after 2 iterations. iteration 877: trace = 2.485865199671171 (3.26879e-09% change) linmin: converged after 12 iterations. iteration 878: trace = 2.485865199583092 (3.54317e-09% change) linmin: converged after 19 iterations. iteration 879: trace = 2.485865199559318 (9.5638e-10% change) large trace change predicted (3.28816e-09%) linmin: converged after 15 iterations. iteration 880: trace = 2.485865199477579 (3.28814e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199386177 (3.67687e-09% change) linmin: converged after 2 iterations. iteration 882: trace = 2.485865199345654 (1.63014e-09% change) large trace change predicted (4.75452e-09%) linmin: converged after 6 iterations. iteration 883: trace = 2.485865199227466 (4.75442e-09% change) linmin: converged after 13 iterations. iteration 884: trace = 2.485865199191147 (1.461e-09% change) linmin: converged after 5 iterations. iteration 885: trace = 2.485865199140393 (2.04169e-09% change) linmin: converged after 3 iterations. iteration 886: trace = 2.485865199062937 (3.11587e-09% change) linmin: converged after 24 iterations. iteration 887: trace = 2.485865198999102 (2.56793e-09% change) linmin: converged after 3 iterations. iteration 888: trace = 2.485865198939075 (2.41472e-09% change) large trace change predicted (4.94698e-09%) linmin: converged after 16 iterations. iteration 889: trace = 2.4858651988161 (4.94699e-09% change) linmin: converged after 3 iterations. iteration 890: trace = 2.485865198734328 (3.28948e-09% change) linmin: converged after 7 iterations. iteration 891: trace = 2.485865198693158 (1.65615e-09% change) large trace change predicted (3.65933e-09%) linmin: converged after 4 iterations. iteration 892: trace = 2.485865198602191 (3.65938e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.48586519854553 (2.27934e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198526149 (7.79646e-10% change) large trace change predicted (1.63767e-09%) linmin: converged after 4 iterations. iteration 895: trace = 2.485865198485438 (1.6377e-09% change) linmin: converged after 6 iterations. iteration 896: trace = 2.485865198446647 (1.56047e-09% change) linmin: converged after 5 iterations. iteration 897: trace = 2.485865198404874 (1.6804e-09% change) linmin: converged after 15 iterations. iteration 898: trace = 2.485865198381024 (9.59435e-10% change) linmin: converged after 21 iterations. iteration 899: trace = 2.485865198340132 (1.64499e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198291408 (1.96005e-09% change) linmin: converged after 9 iterations. iteration 901: trace = 2.485865198268051 (9.39569e-10% change) linmin: converged after 24 iterations. iteration 902: trace = 2.485865198230728 (1.50143e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865198181385 (1.98493e-09% change) linmin: converged after 6 iterations. iteration 904: trace = 2.485865198160242 (8.50514e-10% change) large trace change predicted (2.59649e-09%) linmin: converged after 8 iterations. iteration 905: trace = 2.485865198095696 (2.59654e-09% change) linmin: converged after 2 iterations. iteration 906: trace = 2.485865198069126 (1.06884e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865198038041 (1.25047e-09% change) large trace change predicted (3.02402e-09%) linmin: converged after 5 iterations. iteration 908: trace = 2.485865197962871 (3.02392e-09% change) linmin: converged after 12 iterations. iteration 909: trace = 2.485865197867926 (3.81937e-09% change) resetting CG direction... linmin: converged after 27 iterations. iteration 910: trace = 2.485865197779493 (3.55744e-09% change) linmin: converged after 3 iterations. iteration 911: trace = 2.485865197714815 (2.60183e-09% change) linmin: converged after 4 iterations. iteration 912: trace = 2.485865197690492 (9.78443e-10% change) linmin: converged after 9 iterations. iteration 913: trace = 2.485865197667755 (9.14666e-10% change) large trace change predicted (2.03791e-09%) linmin: converged after 19 iterations. iteration 914: trace = 2.485865197617092 (2.03803e-09% change) linmin: converged after 18 iterations. iteration 915: trace = 2.485865197603817 (5.34008e-10% change) large trace change predicted (1.636e-09%) linmin: converged after 3 iterations. iteration 916: trace = 2.485865197563149 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 917: trace = 2.485865197534232 (1.16329e-09% change) linmin: converged after 9 iterations. iteration 918: trace = 2.485865197517445 (6.75281e-10% change) large trace change predicted (1.50937e-09%) linmin: converged after 4 iterations. iteration 919: trace = 2.485865197479924 (1.50936e-09% change) linmin: converged after 3 iterations. iteration 920: trace = 2.485865197449738 (1.21433e-09% change) linmin: converged after 18 iterations. iteration 921: trace = 2.485865197431222 (7.44846e-10% change) linmin: converged after 3 iterations. iteration 922: trace = 2.485865197398013 (1.33593e-09% change) linmin: converged after 15 iterations. iteration 923: trace = 2.485865197383809 (5.71363e-10% change) linmin: converged after 12 iterations. iteration 924: trace = 2.485865197363209 (8.28684e-10% change) linmin: converged after 6 iterations. iteration 925: trace = 2.485865197330011 (1.33547e-09% change) linmin: converged after 4 iterations. iteration 926: trace = 2.485865197285912 (1.77399e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.485865197268385 (7.05097e-10% change) large trace change predicted (2.3754e-09%) linmin: converged after 3 iterations. iteration 928: trace = 2.485865197209335 (2.37543e-09% change) linmin: converged after 18 iterations. iteration 929: trace = 2.485865197152 (2.30642e-09% change) linmin: converged after 15 iterations. iteration 930: trace = 2.485865197128124 (9.60489e-10% change) large trace change predicted (2.02515e-09%) linmin: converged after 13 iterations. iteration 931: trace = 2.485865197077779 (2.02522e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197025277 (2.11204e-09% change) linmin: converged after 3 iterations. iteration 933: trace = 2.485865197014812 (4.20979e-10% change) large trace change predicted (1.51339e-09%) linmin: converged after 15 iterations. iteration 934: trace = 2.485865196977192 (1.51336e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196943954 (1.33709e-09% change) linmin: converged after 4 iterations. iteration 936: trace = 2.485865196894677 (1.98227e-09% change) linmin: converged after 20 iterations. iteration 937: trace = 2.48586519688186 (5.15607e-10% change) large trace change predicted (2.08236e-09%) linmin: converged after 6 iterations. iteration 938: trace = 2.485865196830097 (2.08228e-09% change) linmin: converged after 19 iterations. iteration 939: trace = 2.485865196800589 (1.18705e-09% change) linmin: converged after 2 iterations. iteration 940: trace = 2.485865196785388 (6.11504e-10% change) large trace change predicted (1.64881e-09%) linmin: converged after 11 iterations. iteration 941: trace = 2.485865196744399 (1.64885e-09% change) linmin: converged after 9 iterations. iteration 942: trace = 2.485865196717632 (1.07679e-09% change) linmin: converged after 5 iterations. iteration 943: trace = 2.485865196692838 (9.97397e-10% change) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196652658 (1.61633e-09% change) linmin: converged after 15 iterations. iteration 945: trace = 2.485865196606591 (1.85318e-09% change) linmin: converged after 18 iterations. iteration 946: trace = 2.485865196590932 (6.29887e-10% change) large trace change predicted (1.85795e-09%) linmin: converged after 15 iterations. iteration 947: trace = 2.485865196544747 (1.85792e-09% change) linmin: converged after 10 iterations. iteration 948: trace = 2.485865196504116 (1.6345e-09% change) linmin: converged after 15 iterations. iteration 949: trace = 2.485865196479669 (9.83409e-10% change) linmin: converged after 14 iterations. iteration 950: trace = 2.4858651964373 (1.70441e-09% change) linmin: converged after 6 iterations. iteration 951: trace = 2.485865196421519 (6.34853e-10% change) linmin: converged after 6 iterations. iteration 952: trace = 2.485865196401864 (7.90668e-10% change) linmin: converged after 21 iterations. iteration 953: trace = 2.485865196364467 (1.50438e-09% change) linmin: converged after 4 iterations. iteration 954: trace = 2.485865196329271 (1.41584e-09% change) linmin: converged after 18 iterations. iteration 955: trace = 2.485865196314101 (6.10236e-10% change) linmin: converged after 21 iterations. iteration 956: trace = 2.485865196290834 (9.35996e-10% change) linmin: converged after 16 iterations. iteration 957: trace = 2.485865196244984 (1.84441e-09% change) linmin: converged after 10 iterations. iteration 958: trace = 2.4858651962366 (3.37265e-10% change) large trace change predicted (1.55062e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196198053 (1.55066e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.485865196165143 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 961: trace = 2.485865196154426 (4.31108e-10% change) large trace change predicted (1.15665e-09%) linmin: converged after 21 iterations. iteration 962: trace = 2.485865196125674 (1.15662e-09% change) linmin: converged after 8 iterations. iteration 963: trace = 2.485865196089094 (1.47154e-09% change) linmin: converged after 10 iterations. iteration 964: trace = 2.485865196076043 (5.25004e-10% change) large trace change predicted (1.88293e-09%) linmin: converged after 7 iterations. iteration 965: trace = 2.485865196029238 (1.88285e-09% change) linmin: converged after 21 iterations. iteration 966: trace = 2.485865195985069 (1.77677e-09% change) linmin: converged after 7 iterations. iteration 967: trace = 2.485865195949636 (1.42541e-09% change) linmin: converged after 10 iterations. iteration 968: trace = 2.485865195932265 (6.98791e-10% change) large trace change predicted (1.48707e-09%) linmin: converged after 18 iterations. iteration 969: trace = 2.4858651958953 (1.48699e-09% change) linmin: converged after 6 iterations. iteration 970: trace = 2.485865195875271 (8.0571e-10% change) linmin: converged after 5 iterations. iteration 971: trace = 2.485865195858119 (6.89966e-10% change) linmin: converged after 9 iterations. iteration 972: trace = 2.485865195839179 (7.61924e-10% change) linmin: converged after 11 iterations. iteration 973: trace = 2.485865195818592 (8.28148e-10% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195808338 (4.12493e-10% change) large trace change predicted (1.15629e-09%) linmin: converged after 4 iterations. iteration 975: trace = 2.485865195779595 (1.15627e-09% change) linmin: converged after 7 iterations. iteration 976: trace = 2.485865195767748 (4.76591e-10% change) linmin: converged after 10 iterations. iteration 977: trace = 2.485865195754008 (5.52712e-10% change) linmin: converged after 11 iterations. iteration 978: trace = 2.485865195742006 (4.82808e-10% change) linmin: converged after 4 iterations. iteration 979: trace = 2.485865195735699 (2.53731e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195729538 (2.47817e-10% change) linmin: converged after 7 iterations. iteration 981: trace = 2.485865195718167 (4.5744e-10% change) linmin: converged after 10 iterations. iteration 982: trace = 2.485865195706118 (4.84702e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.48586519569485 (4.53278e-10% change) large trace change predicted (9.8525e-10%) linmin: converged after 16 iterations. iteration 984: trace = 2.48586519567036 (9.85178e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195662614 (3.11612e-10% change) large trace change predicted (6.89496e-10%) linmin: converged after 25 iterations. iteration 986: trace = 2.485865195645474 (6.89465e-10% change) linmin: converged after 10 iterations. iteration 987: trace = 2.485865195630695 (5.94533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195623671 (2.82546e-10% change) large trace change predicted (8.36744e-10%) linmin: converged after 12 iterations. iteration 989: trace = 2.485865195602871 (8.36741e-10% change) linmin: converged after 3 iterations. iteration 990: trace = 2.485865195577373 (1.02573e-09% change) linmin: converged after 12 iterations. iteration 991: trace = 2.485865195569374 (3.21795e-10% change) large trace change predicted (1.18579e-09%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195539894 (1.18587e-09% change) linmin: converged after 16 iterations. iteration 993: trace = 2.485865195513663 (1.05524e-09% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195504994 (3.48734e-10% change) large trace change predicted (1.19964e-09%) linmin: converged after 22 iterations. iteration 995: trace = 2.485865195475174 (1.19955e-09% change) linmin: converged after 5 iterations. iteration 996: trace = 2.485865195453173 (8.85047e-10% change) linmin: converged after 6 iterations. iteration 997: trace = 2.485865195444979 (3.29637e-10% change) linmin: converged after 5 iterations. iteration 998: trace = 2.485865195431235 (5.52873e-10% change) linmin: converged after 17 iterations. iteration 999: trace = 2.48586519541321 (7.25087e-10% change) linmin: converged after 6 iterations. iteration 1000: trace = 2.485865195407233 (2.40475e-10% change) large trace change predicted (7.1572e-10%) linmin: converged after 4 iterations. iteration 1001: trace = 2.485865195389439 (7.15798e-10% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.485865195366087 (9.39391e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.48586519535643 (3.88465e-10% change) linmin: converged after 16 iterations. iteration 1004: trace = 2.485865195348283 (3.27743e-10% change) linmin: converged after 16 iterations. iteration 1005: trace = 2.485865195332919 (6.18061e-10% change) linmin: converged after 12 iterations. iteration 1006: trace = 2.485865195325522 (2.97552e-10% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.485865195315592 (3.9947e-10% change) linmin: converged after 18 iterations. iteration 1008: trace = 2.485865195302418 (5.29953e-10% change) linmin: converged after 14 iterations. iteration 1009: trace = 2.48586519528831 (5.67504e-10% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.485865195282737 (2.242e-10% change) large trace change predicted (7.19285e-10%) linmin: converged after 6 iterations. iteration 1011: trace = 2.485865195264858 (7.19228e-10% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.485865195247599 (6.94289e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865195239529 (3.24635e-10% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.485865195229751 (3.93342e-10% change) linmin: converged after 3 iterations. iteration 1015: trace = 2.485865195216892 (5.17304e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865195212109 (1.92401e-10% change) linmin: converged after 6 iterations. iteration 1017: trace = 2.485865195203397 (3.50431e-10% change) linmin: converged after 3 iterations. iteration 1018: trace = 2.48586519519056 (5.16429e-10% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.485865195187408 (1.26767e-10% change) large trace change predicted (3.78648e-10%) linmin: converged after 18 iterations. iteration 1020: trace = 2.485865195177993 (3.78747e-10% change) linmin: converged after 10 iterations. iteration 1021: trace = 2.485865195163123 (5.98177e-10% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.485865195156914 (2.498e-10% change) linmin: converged after 3 iterations. iteration 1023: trace = 2.48586519514668 (4.11671e-10% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.485865195138649 (3.23081e-10% change) linmin: converged after 8 iterations. iteration 1025: trace = 2.485865195132884 (2.31918e-10% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.485865195127163 (2.30131e-10% change) large trace change predicted (4.92127e-10%) linmin: converged after 4 iterations. iteration 1027: trace = 2.48586519511493 (4.92115e-10% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.485865195111738 (1.28393e-10% change) large trace change predicted (5.51697e-10%) linmin: converged after 3 iterations. iteration 1029: trace = 2.48586519509802 (5.51819e-10% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.485865195086531 (4.62192e-10% change) linmin: converged after 12 iterations. iteration 1031: trace = 2.485865195082156 (1.76002e-10% change) large trace change predicted (4.23674e-10%) linmin: converged after 5 iterations. iteration 1032: trace = 2.485865195071622 (4.2373e-10% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.485865195063092 (3.43143e-10% change) linmin: converged after 8 iterations. iteration 1034: trace = 2.485865195058281 (1.93563e-10% change) linmin: converged after 3 iterations. iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 11.459135293960571 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860521618544 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953190274542 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889502713794 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356527115023 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948739451574 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.59637195673933 (0.0222125% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542822108817 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152272227645 (0.0150481% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847304055892 (0.0117521% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454354679778 (0.0151446% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326218334966 (0.00493898% change) large trace change predicted (0.0216464%) linmin: converged after 4 iterations. iteration 12: trace = 2.59377725804431 (0.0211623% change) linmin: converged after 4 iterations. iteration 13: trace = 2.59351194519011 (0.0102293% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177804948497 (0.0128845% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759541877131 (0.0161307% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616450337081 (0.00551904% change) large trace change predicted (0.0234744%) linmin: converged after 6 iterations. iteration 17: trace = 2.592030992157174 (0.0225843% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838798349907 (0.00741507% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510380906076 (0.012672% change) linmin: converged after 24 iterations. iteration 20: trace = 2.591143477406139 (0.0141589% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058370891482 (0.00328457% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787468655928 (0.0104558% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682206926354 (0.00406301% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536715489336 (0.00561611% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316103030832 (0.00851645% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262773503845 (0.00205883% change) large trace change predicted (0.00488929%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136126018992 (0.00488949% change) linmin: converged after 3 iterations. iteration 28: trace = 2.59006415221636 (0.0027788% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589967059741261 (0.00374872% change) linmin: converged after 6 iterations. iteration 30: trace = 2.58984703354588 (0.00463438% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779805109319 (0.00259588% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656245739652 (0.00477115% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592317183004 (0.00246864% change) large trace change predicted (0.0058733%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438799786502 (0.00592842% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299452439772 (0.00538152% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151667919612 (0.00570767% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877424791422 (0.0105926% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758943947076 (0.00457664% change) large trace change predicted (0.0103813%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487298044556 (0.0104938% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238628793924 (0.0096072% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129511987392 (0.00421596% change) large trace change predicted (0.00966115%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877945573201 (0.00972048% change) linmin: converged after 4 iterations. iteration 43: trace = 2.587755245936565 (0.00474143% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559949936852 (0.00754721% change) linmin: converged after 4 iterations. iteration 45: trace = 2.587201554185449 (0.0138517% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078783260084 (0.00474543% change) large trace change predicted (0.0134462%) linmin: converged after 11 iterations. iteration 47: trace = 2.586730945154498 (0.0134461% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416748640698 (0.0121472% change) linmin: converged after 4 iterations. iteration 49: trace = 2.58617269284236 (0.0094365% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801979697706 (0.0143355% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704615333812 (0.00376542% change) large trace change predicted (0.00796062%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499823527465 (0.00792047% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309103142582 (0.00737681% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225685346267 (0.00322666% change) large trace change predicted (0.00858072%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005388880063 (0.00852173% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916436170431 (0.00344116% change) linmin: converged after 3 iterations. iteration 57: trace = 2.584748118065533 (0.00651176% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504243703837 (0.00943558% change) linmin: converged after 5 iterations. iteration 59: trace = 2.58441870929796 (0.00330956% change) large trace change predicted (0.00842777%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201832061457 (0.00839207% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099116928128 (0.00397481% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934387426116 (0.00637494% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709086143977 (0.00871969% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615303596189 (0.00362983% change) large trace change predicted (0.00904912%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383065985255 (0.00898927% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261817052908 (0.00469353% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112578823719 (0.00577729% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958408053899 (0.00596859% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869907040918 (0.0034264% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791348541924 (0.00304157% change) linmin: converged after 4 iterations. iteration 71: trace = 2.582689741007504 (0.0039341% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487366629814 (0.00783611% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430453958849 (0.00220382% change) large trace change predicted (0.00655171%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260864559661 (0.00656726% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582143021268454 (0.00456367% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089107295908 (0.00208798% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989431924498 (0.00386034% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949472930305 (0.00154762% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896459257402 (0.00205326% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814632582808 (0.0031693% change) linmin: converged after 8 iterations. iteration 81: trace = 2.581795111738478 (0.000756093% change) large trace change predicted (0.00246215%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731376217022 (0.00246868% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679824632536 (0.0019968% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660367994335 (0.000753645% change) large trace change predicted (0.00226661%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601717821526 (0.00227183% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512345867647 (0.00346194% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471227992637 (0.0015928% change) large trace change predicted (0.00460237%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352116263461 (0.00461421% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296779531606 (0.00214373% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194600924959 (0.0039585% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064488612853 (0.00504091% change) linmin: converged after 5 iterations. iteration 92: trace = 2.581038716555532 (0.00099851% change) large trace change predicted (0.0040394%) linmin: converged after 5 iterations. iteration 93: trace = 2.58093458776426 (0.00403446% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892432238924 (0.00163336% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844724890247 (0.0018485% change) linmin: converged after 6 iterations. iteration 96: trace = 2.580750183705137 (0.00366325% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717828611179 (0.00125372% change) large trace change predicted (0.0030374%) linmin: converged after 5 iterations. iteration 98: trace = 2.580639620565305 (0.00303052% change) linmin: converged after 3 iterations. iteration 99: trace = 2.58058680556341 (0.00204661% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568646580939 (0.000703679% change) large trace change predicted (0.00145474%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531174749226 (0.00145209% change) linmin: converged after 6 iterations. iteration 102: trace = 2.580515821400738 (0.00059497% change) linmin: converged after 3 iterations. iteration 103: trace = 2.580499610257485 (0.000628215% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473844714205 (0.000998476% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463057663908 (0.000418027% change) large trace change predicted (0.00115936%) linmin: converged after 5 iterations. iteration 106: trace = 2.580433181712845 (0.00115778% change) linmin: converged after 4 iterations. iteration 107: trace = 2.580404842706844 (0.00109823% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391220614823 (0.000527907% change) large trace change predicted (0.00162401%) linmin: converged after 6 iterations. iteration 109: trace = 2.58034938545596 (0.00162129% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298612764278 (0.00196769% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288508159597 (0.000391607% change) large trace change predicted (0.00143953%) linmin: converged after 4 iterations. iteration 112: trace = 2.580251404412864 (0.00143798% change) linmin: converged after 3 iterations. iteration 113: trace = 2.58023664525397 (0.000572006% change) linmin: converged after 11 iterations. iteration 114: trace = 2.580210094826152 (0.001029% change) linmin: converged after 3 iterations. iteration 115: trace = 2.58015741422241 (0.00204174% change) linmin: converged after 4 iterations. iteration 116: trace = 2.58014461711526 (0.000495983% change) large trace change predicted (0.00229676%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085296752692 (0.00229914% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043058127242 (0.00163712% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026058405644 (0.000658895% change) large trace change predicted (0.00241022%) linmin: converged after 3 iterations. iteration 120: trace = 2.57996378178859 (0.00241383% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916640550724 (0.00182722% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904056238242 (0.000487781% change) large trace change predicted (0.00145245%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866542252547 (0.0014541% change) linmin: converged after 4 iterations. iteration 124: trace = 2.579847592337901 (0.000734534% change) linmin: converged after 3 iterations. iteration 125: trace = 2.579816281551699 (0.00121368% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774349284264 (0.00162541% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579756590919291 (0.000688371% change) large trace change predicted (0.00190679%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707395141529 (0.00190701% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579653617637238 (0.00208466% change) linmin: converged after 4 iterations. iteration 130: trace = 2.579637916552168 (0.000608653% change) large trace change predicted (0.00175039%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592840731829 (0.00174739% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574096929589 (0.000726621% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568114449036 (0.000231918% change) large trace change predicted (0.001722%) linmin: converged after 4 iterations. iteration 134: trace = 2.579523666343963 (0.0017231% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512581470192 (0.000429727% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493216582579 (0.000750722% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467345140199 (0.00100297% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459760113513 (0.000294054% change) large trace change predicted (0.00116611%) linmin: converged after 8 iterations. iteration 139: trace = 2.579429699942999 (0.00116537% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579415960578535 (0.000532653% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409114902801 (0.000265397% change) linmin: converged after 7 iterations. iteration 142: trace = 2.579396475750914 (0.000490003% change) linmin: converged after 4 iterations. iteration 143: trace = 2.579389496853502 (0.000270564% change) linmin: converged after 6 iterations. iteration 144: trace = 2.579378564721089 (0.000423827% change) linmin: converged after 4 iterations. iteration 145: trace = 2.57935911532702 (0.000754037% change) linmin: converged after 4 iterations. iteration 146: trace = 2.579354333271482 (0.000185397% change) large trace change predicted (0.000499916%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341448525281 (0.000499535% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579326843829279 (0.00056622% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321332211588 (0.000213685% change) large trace change predicted (0.000602531%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305792334234 (0.000602481% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579295529599734 (0.000397888% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281579557514 (0.000540848% change) linmin: converged after 4 iterations. iteration 153: trace = 2.579262991642048 (0.000720665% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257834287736 (0.000199955% change) large trace change predicted (0.000501703%) linmin: converged after 5 iterations. iteration 155: trace = 2.579244893868627 (0.000501712% change) linmin: converged after 12 iterations. iteration 156: trace = 2.579230291884151 (0.000566136% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225933151878 (0.000168994% change) large trace change predicted (0.000602353%) linmin: converged after 28 iterations. iteration 158: trace = 2.579210404201151 (0.00060208% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202201581079 (0.000318029% change) linmin: converged after 3 iterations. iteration 160: trace = 2.579194288343271 (0.00030681% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234657636 (0.000428572% change) linmin: converged after 3 iterations. iteration 162: trace = 2.579177094550377 (0.000238064% change) linmin: converged after 4 iterations. iteration 163: trace = 2.57916659339966 (0.000407152% change) linmin: converged after 6 iterations. iteration 164: trace = 2.579151163030524 (0.000598271% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579147648594193 (0.000136263% change) large trace change predicted (0.000303338%) linmin: converged after 4 iterations. iteration 166: trace = 2.57913982732519 (0.000303251% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579133123981774 (0.000259907% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130526048661 (0.000100729% change) large trace change predicted (0.000322419%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122206736161 (0.000322563% change) linmin: converged after 4 iterations. iteration 170: trace = 2.579119316372324 (0.000112068% change) linmin: converged after 4 iterations. iteration 171: trace = 2.579114500842551 (0.000186712% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109325546197 (0.000200662% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579107944741859 (5.3538e-05% change) large trace change predicted (0.000194876%) linmin: converged after 3 iterations. iteration 174: trace = 2.579102915570909 (0.000194997% change) linmin: converged after 11 iterations. iteration 175: trace = 2.579098411465147 (0.000174639% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096620862684 (6.94275e-05% change) large trace change predicted (0.000229779%) linmin: converged after 3 iterations. iteration 177: trace = 2.57909068903246 (0.000229997% change) linmin: converged after 3 iterations. iteration 178: trace = 2.57908722597381 (0.000134274% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085275581576 (7.56234e-05% change) large trace change predicted (0.000238926%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079110485394 (0.000239042% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579077118821251 (7.72239e-05% change) large trace change predicted (0.000245839%) linmin: converged after 4 iterations. iteration 182: trace = 2.579070776674144 (0.000245908% change) linmin: converged after 4 iterations. iteration 183: trace = 2.579062519937734 (0.000320144% change) linmin: converged after 4 iterations. iteration 184: trace = 2.579059772313992 (0.000106536% change) large trace change predicted (0.000240066%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053579658166 (0.000240113% change) linmin: converged after 4 iterations. iteration 186: trace = 2.579045264581167 (0.000322409% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042485940616 (0.000107739% change) large trace change predicted (0.000296458%) linmin: converged after 3 iterations. iteration 188: trace = 2.579034843461428 (0.000296331% change) linmin: converged after 4 iterations. iteration 189: trace = 2.579032597962294 (8.70675e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028655164773 (0.000152879% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022910879041 (0.000222731% change) linmin: converged after 7 iterations. iteration 192: trace = 2.579021622787959 (4.99449e-05% change) large trace change predicted (0.000203214%) linmin: converged after 3 iterations. iteration 193: trace = 2.579016385227683 (0.000203083% change) linmin: converged after 7 iterations. iteration 194: trace = 2.579010649159224 (0.000222413% change) linmin: converged after 4 iterations. iteration 195: trace = 2.579009216830626 (5.55379e-05% change) large trace change predicted (0.000151487%) linmin: converged after 5 iterations. iteration 196: trace = 2.579005312263789 (0.000151398% change) linmin: converged after 6 iterations. iteration 197: trace = 2.579001471136257 (0.000148938% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000202095394 (4.92067e-05% change) large trace change predicted (0.000142495%) linmin: converged after 4 iterations. iteration 199: trace = 2.578996529822402 (0.000142391% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578995187350642 (5.2054e-05% change) large trace change predicted (0.000131731%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991792415594 (0.000131638% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988993888872 (0.000108512% change) linmin: converged after 5 iterations. iteration 203: trace = 2.578987762684613 (4.77398e-05% change) large trace change predicted (0.000135855%) linmin: converged after 3 iterations. iteration 204: trace = 2.578984260530736 (0.000135796% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578980856605261 (0.000131987% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978830383538 (7.85668e-05% change) large trace change predicted (0.000160162%) linmin: converged after 3 iterations. iteration 207: trace = 2.578974698738432 (0.000160205% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578973015751278 (6.5258e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970593185892 (9.39353e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578968714970213 (7.28281e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.578967709801617 (3.89756e-05% change) large trace change predicted (8.45731e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.578965528390797 (8.45847e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964563648843 (3.74081e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.578962691495152 (7.25933e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960582717608 (8.17685e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.578959861533169 (2.79642e-05% change) large trace change predicted (6.89091e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.578958084037421 (6.8923e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.578955797477816 (8.86622e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.57895504299751 (2.92553e-05% change) large trace change predicted (7.33764e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.578953149960638 (7.34033e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952452927342 (2.70278e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.578951239347376 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949560038214 (6.5116e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948829317527 (2.8334e-05% change) large trace change predicted (6.89296e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.57894705091941 (6.89583e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944887353176 (8.38934e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.578944180787921 (2.73975e-05% change) large trace change predicted (0.000106351%) linmin: converged after 5 iterations. iteration 228: trace = 2.578941437166416 (0.000106386% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578939973196951 (5.67663e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938658299422 (5.0986e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936212270739 (9.48464e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935104609958 (4.29503e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.57893355483672 (6.00936e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932051113395 (5.8308e-05% change) linmin: converged after 4 iterations. iteration 235: trace = 2.578931430256686 (2.40742e-05% change) large trace change predicted (6.3687e-05%) linmin: converged after 4 iterations. iteration 236: trace = 2.578929787965555 (6.36811e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927732842243 (7.9689e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.578927370696145 (1.40425e-05% change) large trace change predicted (7.88144e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925339249452 (7.8771e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924460385541 (3.40787e-05% change) linmin: converged after 8 iterations. iteration 241: trace = 2.578923850546401 (2.3647e-05% change) large trace change predicted (4.97598e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.578922567884795 (4.97363e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922080751145 (1.8889e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.578921459580042 (2.40865e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.578920588759444 (3.37669e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.578920152669645 (1.69098e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.578919528317649 (2.42098e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.57891839601165 (4.39062e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578918027857583 (1.42755e-05% change) large trace change predicted (4.59907e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.578916842021182 (4.59819e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.578916059169786 (3.03558e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.578915623446967 (1.68956e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.578914755413444 (3.36589e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.578914220269266 (2.07508e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913286361983 (3.62132e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.578911970243699 (5.10338e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911690891971 (1.08322e-05% change) large trace change predicted (4.1962e-05%) linmin: converged after 19 iterations. iteration 258: trace = 2.57891060870616 (4.19629e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909258395869 (5.23597e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908933608401 (1.2594e-05% change) large trace change predicted (6.02701e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907379207026 (6.02736e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906522316381 (3.32269e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.578905991059567 (2.06001e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.578905011242142 (3.79935e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.57890431127686 (2.7142e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.578903889516543 (1.63542e-05% change) large trace change predicted (4.42885e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.578902747575397 (4.42801e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902526433914 (8.57502e-06% change) large trace change predicted (3.14436e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.578901715648348 (3.14392e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900890314848 (3.20033e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.578900701551541 (7.31953e-06% change) large trace change predicted (2.65202e-05%) linmin: converged after 5 iterations. iteration 272: trace = 2.578900017648208 (2.65192e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899271387342 (2.89372e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899118432121 (5.93103e-06% change) large trace change predicted (2.54228e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898462777596 (2.54238e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898159127796 (1.17744e-05% change) linmin: converged after 5 iterations. iteration 277: trace = 2.578897869249839 (1.12404e-05% change) large trace change predicted (2.31179e-05%) linmin: converged after 7 iterations. iteration 278: trace = 2.578897273050618 (2.31184e-05% change) linmin: converged after 5 iterations. iteration 279: trace = 2.578896730929192 (2.10214e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896287665295 (1.71881e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.5788958899988 (1.542e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895754454166 (5.25592e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578895485195463 (1.04409e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.578895087730657 (1.54122e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578894975971315 (4.33361e-06% change) large trace change predicted (1.81265e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.578894508574154 (1.81239e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.57889410801878 (1.55321e-05% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578893999560019 (4.20563e-06% change) large trace change predicted (1.59254e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893588928751 (1.59228e-05% change) linmin: converged after 7 iterations. iteration 290: trace = 2.578893306795367 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.578893123980304 (7.0889e-06% change) large trace change predicted (1.69244e-05%) linmin: converged after 3 iterations. iteration 292: trace = 2.578892687544148 (1.69234e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892518215895 (6.56593e-06% change) linmin: converged after 3 iterations. iteration 294: trace = 2.578892241221396 (1.07408e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891835610835 (1.57281e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.578891612915137 (8.63533e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.57889126373564 (1.35399e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.578890876180742 (1.5028e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.578890683270827 (7.48034e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.578890325968974 (1.38549e-05% change) linmin: converged after 5 iterations. iteration 301: trace = 2.578890085566034 (9.32195e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889936017831 (5.79894e-06% change) large trace change predicted (1.31324e-05%) linmin: converged after 19 iterations. iteration 303: trace = 2.578889597397355 (1.31305e-05% change) linmin: converged after 2 iterations. iteration 304: trace = 2.5788895208872 (2.96679e-06% change) large trace change predicted (9.17308e-06%) linmin: converged after 4 iterations. iteration 305: trace = 2.578889284341206 (9.1724e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.578889040073928 (9.4718e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.578888806884359 (9.04225e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888736130238 (2.74359e-06% change) large trace change predicted (1.0083e-05%) linmin: converged after 4 iterations. iteration 309: trace = 2.578888476085962 (1.00836e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888389309429 (3.36488e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.578888222547906 (6.46641e-06% change) linmin: converged after 18 iterations. iteration 312: trace = 2.578888068859919 (5.95947e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578888019568005 (1.91136e-06% change) large trace change predicted (5.76668e-06%) linmin: converged after 4 iterations. iteration 314: trace = 2.578887870845399 (5.76693e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887718433325 (5.90999e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887677161438 (1.60038e-06% change) large trace change predicted (7.15223e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578887492693028 (7.15302e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887351236361 (5.48518e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.578887270444731 (3.13281e-06% change) large trace change predicted (1.02195e-05%) linmin: converged after 4 iterations. iteration 320: trace = 2.578887006872511 (1.02204e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886955611378 (1.98772e-06% change) large trace change predicted (7.85794e-06%) linmin: converged after 2 iterations. iteration 322: trace = 2.578886752955543 (7.85827e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.578886590840106 (6.28626e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.578886530251842 (2.3494e-06% change) large trace change predicted (5.63931e-06%) linmin: converged after 3 iterations. iteration 325: trace = 2.5788863848269 (5.63906e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886232586593 (5.90334e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.57888615054765 (3.18118e-06% change) large trace change predicted (7.48174e-06%) linmin: converged after 4 iterations. iteration 328: trace = 2.578885957625688 (7.48083e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885864164633 (3.62409e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885776693701 (3.39181e-06% change) large trace change predicted (7.33093e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.578885587670807 (7.32963e-06% change) linmin: converged after 27 iterations. iteration 332: trace = 2.578885538373884 (1.91156e-06% change) large trace change predicted (5.04363e-06%) linmin: converged after 3 iterations. iteration 333: trace = 2.578885408321698 (5.04296e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.578885265495369 (5.5383e-06% change) linmin: converged after 16 iterations. iteration 335: trace = 2.578885235565986 (1.16056e-06% change) large trace change predicted (3.35533e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.578885149043622 (3.35503e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885066707878 (3.19269e-06% change) linmin: converged after 8 iterations. iteration 338: trace = 2.578885041183195 (9.89757e-07% change) large trace change predicted (3.32552e-06%) linmin: converged after 3 iterations. iteration 339: trace = 2.578884955426909 (3.32532e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.578884848723537 (4.13758e-06% change) linmin: converged after 14 iterations. iteration 341: trace = 2.578884818458568 (1.17357e-06% change) large trace change predicted (4.0853e-06%) linmin: converged after 7 iterations. iteration 342: trace = 2.57888471310624 (4.08519e-06% change) linmin: converged after 18 iterations. iteration 343: trace = 2.578884642392182 (2.74204e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884602713305 (1.53861e-06% change) large trace change predicted (4.4568e-06%) linmin: converged after 5 iterations. iteration 345: trace = 2.57888448777896 (4.45675e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.578884431780175 (2.17143e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.578884386051757 (1.77319e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.57888431058125 (2.92648e-06% change) linmin: converged after 24 iterations. iteration 349: trace = 2.578884267815745 (1.65829e-06% change) resetting CG direction... linmin: converged after 9 iterations. iteration 350: trace = 2.57888422833012 (1.53111e-06% change) linmin: converged after 6 iterations. iteration 351: trace = 2.578884167212491 (2.36993e-06% change) linmin: converged after 3 iterations. iteration 352: trace = 2.578884135134724 (1.24386e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.578884090075526 (1.74724e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578884011742868 (3.03746e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.578883994515857 (6.68003e-07% change) large trace change predicted (2.17546e-06%) linmin: converged after 5 iterations. iteration 356: trace = 2.578883938409311 (2.17561e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.578883881997645 (2.18744e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.578883862483115 (7.56704e-07% change) large trace change predicted (2.56736e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.578883796268618 (2.56756e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.578883777226458 (7.38388e-07% change) linmin: converged after 2 iterations. iteration 361: trace = 2.578883743261209 (1.31705e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.578883702488097 (1.58104e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.57888368633559 (6.26337e-07% change) large trace change predicted (1.65619e-06%) linmin: converged after 2 iterations. iteration 364: trace = 2.578883643621738 (1.65629e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.578883577061982 (2.58095e-06% change) linmin: converged after 8 iterations. iteration 366: trace = 2.578883554707284 (8.66836e-07% change) large trace change predicted (2.20978e-06%) linmin: converged after 2 iterations. iteration 367: trace = 2.57888349771743 (2.20987e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.578883427926582 (2.70624e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.578883406635272 (8.25602e-07% change) large trace change predicted (1.99771e-06%) linmin: converged after 2 iterations. iteration 370: trace = 2.578883355116631 (1.99771e-06% change) linmin: converged after 6 iterations. iteration 371: trace = 2.578883286972285 (2.6424e-06% change) linmin: converged after 16 iterations. iteration 372: trace = 2.578883267400527 (7.58924e-07% change) large trace change predicted (2.58803e-06%) linmin: converged after 2 iterations. iteration 373: trace = 2.57888320065819 (2.58803e-06% change) linmin: converged after 10 iterations. iteration 374: trace = 2.578883160950679 (1.53972e-06% change) linmin: converged after 13 iterations. iteration 375: trace = 2.578883142543416 (7.13769e-07% change) large trace change predicted (2.24375e-06%) linmin: converged after 3 iterations. iteration 376: trace = 2.57888308468267 (2.24364e-06% change) linmin: converged after 10 iterations. iteration 377: trace = 2.578883025109856 (2.31002e-06% change) linmin: converged after 12 iterations. iteration 378: trace = 2.578883013424509 (4.53117e-07% change) large trace change predicted (2.17064e-06%) linmin: converged after 4 iterations. iteration 379: trace = 2.578882957449465 (2.17052e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.578882925837505 (1.2258e-06% change) linmin: converged after 9 iterations. iteration 381: trace = 2.578882910105894 (6.10016e-07% change) large trace change predicted (1.62587e-06%) linmin: converged after 22 iterations. iteration 382: trace = 2.57888286817952 (1.62576e-06% change) linmin: converged after 18 iterations. iteration 383: trace = 2.578882858838719 (3.62203e-07% change) large trace change predicted (1.10116e-06%) linmin: converged after 14 iterations. iteration 384: trace = 2.578882830442491 (1.10111e-06% change) linmin: converged after 35 iterations. iteration 385: trace = 2.578882802410506 (1.08698e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.578882784966687 (6.7641e-07% change) linmin: converged after 5 iterations. iteration 387: trace = 2.578882767429097 (6.80046e-07% change) linmin: converged after 14 iterations. iteration 388: trace = 2.578882733287546 (1.32389e-06% change) linmin: converged after 4 iterations. iteration 389: trace = 2.57888272132615 (4.63821e-07% change) large trace change predicted (1.42871e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882684481917 (1.42869e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.578882658808092 (9.95541e-07% change) linmin: converged after 3 iterations. iteration 392: trace = 2.578882642954935 (6.1473e-07% change) linmin: converged after 3 iterations. iteration 393: trace = 2.578882616553765 (1.02374e-06% change) linmin: converged after 8 iterations. iteration 394: trace = 2.578882587926257 (1.11007e-06% change) linmin: converged after 5 iterations. iteration 395: trace = 2.578882573063998 (5.76306e-07% change) large trace change predicted (1.47032e-06%) linmin: converged after 2 iterations. iteration 396: trace = 2.578882535145632 (1.47034e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.578882526245823 (3.45103e-07% change) large trace change predicted (1.08143e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.57888249835706 (1.08143e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882465578491 (1.27104e-06% change) linmin: converged after 19 iterations. iteration 400: trace = 2.578882448731245 (6.53277e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.578882415744254 (1.27912e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.578882383822383 (1.23782e-06% change) linmin: converged after 13 iterations. iteration 403: trace = 2.57888237186781 (4.63556e-07% change) large trace change predicted (1.08975e-06%) linmin: converged after 11 iterations. iteration 404: trace = 2.578882343763326 (1.08979e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.578882322723003 (8.1587e-07% change) linmin: converged after 22 iterations. iteration 406: trace = 2.578882314178037 (3.31344e-07% change) large trace change predicted (9.95795e-07%) linmin: converged after 8 iterations. iteration 407: trace = 2.578882288497162 (9.95814e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.578882274931218 (5.2604e-07% change) linmin: converged after 7 iterations. iteration 409: trace = 2.578882262988782 (4.63086e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882241085648 (8.49327e-07% change) linmin: converged after 5 iterations. iteration 411: trace = 2.578882235455017 (2.18336e-07% change) large trace change predicted (7.39992e-07%) linmin: converged after 3 iterations. iteration 412: trace = 2.578882216371586 (7.39988e-07% change) linmin: converged after 3 iterations. iteration 413: trace = 2.578882192306764 (9.33149e-07% change) linmin: converged after 5 iterations. iteration 414: trace = 2.578882185166103 (2.7689e-07% change) large trace change predicted (6.0813e-07%) linmin: converged after 20 iterations. iteration 415: trace = 2.578882169483405 (6.0812e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882156093668 (5.19207e-07% change) linmin: converged after 4 iterations. iteration 417: trace = 2.578882148049813 (3.11912e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.578882138332705 (3.76795e-07% change) large trace change predicted (4.10231e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.57888203255024 (4.10187e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 420: trace = 2.578882001414857 (1.20732e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.57888198168971 (7.64872e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.578881974277851 (2.87406e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.578881962864237 (4.4258e-07% change) linmin: converged after 3 iterations. iteration 424: trace = 2.578881955412863 (2.88938e-07% change) linmin: converged after 11 iterations. iteration 425: trace = 2.578881952599149 (1.09106e-07% change) large trace change predicted (4.08628e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578881942061155 (4.08626e-07% change) linmin: converged after 7 iterations. iteration 427: trace = 2.578881935946643 (2.37099e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.578881933220652 (1.05704e-07% change) large trace change predicted (2.853e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.578881925863133 (2.85299e-07% change) linmin: converged after 5 iterations. iteration 430: trace = 2.578881918861035 (2.71517e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.578881915686762 (1.23087e-07% change) large trace change predicted (4.42272e-07%) linmin: converged after 4 iterations. iteration 432: trace = 2.578881904281187 (4.42268e-07% change) linmin: converged after 11 iterations. iteration 433: trace = 2.57888189922615 (1.96017e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.578881893089352 (2.37963e-07% change) linmin: converged after 5 iterations. iteration 435: trace = 2.578881886221618 (2.66307e-07% change) linmin: converged after 6 iterations. iteration 436: trace = 2.578881882795108 (1.32868e-07% change) large trace change predicted (2.82053e-07%) linmin: converged after 12 iterations. iteration 437: trace = 2.578881875521383 (2.8205e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.578881866718654 (3.41339e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881863079233 (1.41124e-07% change) large trace change predicted (3.17561e-07%) linmin: converged after 3 iterations. iteration 440: trace = 2.578881854889808 (3.17557e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.578881849411369 (2.12435e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881843615585 (2.2474e-07% change) linmin: converged after 8 iterations. iteration 443: trace = 2.578881834950654 (3.35996e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881830311306 (1.79898e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.578881828375051 (7.50812e-08% change) large trace change predicted (1.93627e-07%) linmin: converged after 3 iterations. iteration 446: trace = 2.578881823381663 (1.93626e-07% change) linmin: converged after 7 iterations. iteration 447: trace = 2.578881818911962 (1.73319e-07% change) linmin: converged after 16 iterations. iteration 448: trace = 2.578881816939237 (7.64954e-08% change) large trace change predicted (1.68541e-07%) linmin: converged after 2 iterations. iteration 449: trace = 2.578881812592749 (1.68542e-07% change) linmin: converged after 13 iterations. iteration 450: trace = 2.57888180998494 (1.01122e-07% change) linmin: converged after 2 iterations. iteration 451: trace = 2.578881806387408 (1.395e-07% change) linmin: converged after 2 iterations. iteration 452: trace = 2.578881801702745 (1.81655e-07% change) linmin: converged after 4 iterations. iteration 453: trace = 2.578881800532051 (4.53954e-08% change) large trace change predicted (1.45438e-07%) linmin: converged after 7 iterations. iteration 454: trace = 2.578881796781342 (1.45439e-07% change) linmin: converged after 2 iterations. iteration 455: trace = 2.57888179405486 (1.05723e-07% change) linmin: converged after 18 iterations. iteration 456: trace = 2.578881790709824 (1.29709e-07% change) linmin: converged after 6 iterations. iteration 457: trace = 2.578881786616718 (1.58716e-07% change) linmin: converged after 25 iterations. iteration 458: trace = 2.578881784182502 (9.43903e-08% change) linmin: converged after 13 iterations. iteration 459: trace = 2.578881782697347 (5.75891e-08% change) large trace change predicted (1.85288e-07%) linmin: converged after 20 iterations. iteration 460: trace = 2.578881777918918 (1.85291e-07% change) linmin: converged after 2 iterations. iteration 461: trace = 2.578881776055878 (7.22422e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881772340515 (1.44069e-07% change) linmin: converged after 10 iterations. iteration 463: trace = 2.578881768909506 (1.33042e-07% change) linmin: converged after 3 iterations. iteration 464: trace = 2.578881766121611 (1.08105e-07% change) linmin: converged after 17 iterations. iteration 465: trace = 2.578881764451818 (6.47487e-08% change) large trace change predicted (1.6705e-07%) linmin: converged after 4 iterations. iteration 466: trace = 2.578881760143803 (1.6705e-07% change) linmin: converged after 7 iterations. iteration 467: trace = 2.578881759396851 (2.89642e-08% change) large trace change predicted (1.39554e-07%) linmin: converged after 7 iterations. iteration 468: trace = 2.57888175579796 (1.39552e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.578881753502724 (8.90012e-08% change) linmin: converged after 6 iterations. iteration 470: trace = 2.578881751530404 (7.64797e-08% change) large trace change predicted (1.64211e-07%) linmin: converged after 12 iterations. iteration 471: trace = 2.578881747295646 (1.64209e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.578881744437918 (1.10813e-07% change) linmin: converged after 14 iterations. iteration 473: trace = 2.578881743681069 (2.93479e-08% change) large trace change predicted (9.12322e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.578881741328326 (9.12311e-08% change) linmin: converged after 7 iterations. iteration 475: trace = 2.578881738765879 (9.93627e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881737927481 (3.25101e-08% change) large trace change predicted (1.02946e-07%) linmin: converged after 4 iterations. iteration 477: trace = 2.578881735272673 (1.02944e-07% change) linmin: converged after 7 iterations. iteration 478: trace = 2.578881733494461 (6.89528e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.578881732930764 (2.18582e-08% change) large trace change predicted (8.73871e-08%) linmin: converged after 7 iterations. iteration 480: trace = 2.578881730677189 (8.73858e-08% change) linmin: converged after 10 iterations. iteration 481: trace = 2.578881729820675 (3.32126e-08% change) linmin: converged after 9 iterations. iteration 482: trace = 2.578881728681377 (4.4178e-08% change) large trace change predicted (9.04282e-08%) linmin: converged after 3 iterations. iteration 483: trace = 2.578881726349349 (9.04279e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.578881725726397 (2.41559e-08% change) large trace change predicted (7.02151e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.578881723915634 (7.02151e-08% change) linmin: converged after 4 iterations. iteration 486: trace = 2.578881722615295 (5.04226e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.578881722206721 (1.58431e-08% change) large trace change predicted (3.6933e-08%) linmin: converged after 2 iterations. iteration 488: trace = 2.57888172125426 (3.69331e-08% change) linmin: converged after 13 iterations. iteration 489: trace = 2.578881719585277 (6.47173e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.57888171888873 (2.70097e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.578881718084623 (3.11805e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881717604491 (1.86178e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881717004805 (2.32537e-08% change) linmin: converged after 3 iterations. iteration 494: trace = 2.578881715921646 (4.20011e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.57888171558842 (1.29214e-08% change) large trace change predicted (5.08189e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.578881714277853 (5.08192e-08% change) linmin: converged after 23 iterations. iteration 497: trace = 2.578881713204562 (4.16185e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881712762302 (1.71493e-08% change) large trace change predicted (4.78776e-08%) linmin: converged after 8 iterations. iteration 499: trace = 2.578881711527581 (4.78782e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.578881710974068 (2.14633e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.578881710025923 (3.67657e-08% change) linmin: converged after 24 iterations. iteration 502: trace = 2.57888170888197 (4.43585e-08% change) linmin: converged after 3 iterations. iteration 503: trace = 2.578881708510016 (1.44231e-08% change) large trace change predicted (5.61478e-08%) linmin: converged after 13 iterations. iteration 504: trace = 2.578881707062016 (5.61483e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881706093314 (3.75629e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.578881705717529 (1.45717e-08% change) large trace change predicted (5.93041e-08%) linmin: converged after 7 iterations. iteration 507: trace = 2.578881704188132 (5.93047e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881702874284 (5.09464e-08% change) linmin: converged after 9 iterations. iteration 509: trace = 2.578881702043305 (3.22224e-08% change) linmin: converged after 33 iterations. iteration 510: trace = 2.578881700506313 (5.95992e-08% change) linmin: converged after 8 iterations. iteration 511: trace = 2.578881698856581 (6.39708e-08% change) linmin: converged after 25 iterations. iteration 512: trace = 2.578881698305443 (2.13712e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881697318028 (3.82885e-08% change) linmin: converged after 6 iterations. iteration 514: trace = 2.578881696453907 (3.35076e-08% change) linmin: converged after 24 iterations. iteration 515: trace = 2.578881696040486 (1.6031e-08% change) large trace change predicted (3.3052e-08%) linmin: converged after 19 iterations. iteration 516: trace = 2.578881695188117 (3.30519e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881694077508 (4.30655e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881693851104 (8.77916e-09% change) large trace change predicted (3.4599e-08%) linmin: converged after 5 iterations. iteration 519: trace = 2.578881692958843 (3.45988e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.578881691965827 (3.85057e-08% change) linmin: converged after 18 iterations. iteration 521: trace = 2.578881691714425 (9.74847e-09% change) large trace change predicted (2.56216e-08%) linmin: converged after 6 iterations. iteration 522: trace = 2.578881691053676 (2.56216e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.57888169029596 (2.93816e-08% change) linmin: converged after 3 iterations. iteration 524: trace = 2.578881690098096 (7.67245e-09% change) large trace change predicted (3.62996e-08%) linmin: converged after 4 iterations. iteration 525: trace = 2.578881689161979 (3.62994e-08% change) linmin: converged after 3 iterations. iteration 526: trace = 2.578881688581245 (2.25188e-08% change) linmin: converged after 30 iterations. iteration 527: trace = 2.578881688348686 (9.0178e-09% change) large trace change predicted (2.9535e-08%) linmin: converged after 3 iterations. iteration 528: trace = 2.578881687587014 (2.9535e-08% change) linmin: converged after 5 iterations. iteration 529: trace = 2.578881686716563 (3.37531e-08% change) linmin: converged after 2 iterations. iteration 530: trace = 2.578881686421467 (1.14428e-08% change) large trace change predicted (3.29164e-08%) linmin: converged after 2 iterations. iteration 531: trace = 2.578881685572594 (3.29163e-08% change) linmin: converged after 4 iterations. iteration 532: trace = 2.578881685309287 (1.02101e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881684861761 (1.73535e-08% change) linmin: converged after 4 iterations. iteration 534: trace = 2.578881683985564 (3.39758e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.578881683754606 (8.95576e-09% change) large trace change predicted (2.36327e-08%) linmin: converged after 4 iterations. iteration 536: trace = 2.57888168314514 (2.36329e-08% change) linmin: converged after 10 iterations. iteration 537: trace = 2.578881682571086 (2.22598e-08% change) linmin: converged after 13 iterations. iteration 538: trace = 2.578881682368509 (7.85523e-09% change) large trace change predicted (2.28578e-08%) linmin: converged after 27 iterations. iteration 539: trace = 2.578881681779028 (2.2858e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881680797204 (3.80717e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.578881680612665 (7.15578e-09% change) large trace change predicted (2.58063e-08%) linmin: converged after 4 iterations. iteration 542: trace = 2.578881679947155 (2.58062e-08% change) linmin: converged after 4 iterations. iteration 543: trace = 2.578881679399616 (2.12316e-08% change) linmin: converged after 16 iterations. iteration 544: trace = 2.578881679234923 (6.38621e-09% change) large trace change predicted (1.8202e-08%) linmin: converged after 4 iterations. iteration 545: trace = 2.578881678765514 (1.8202e-08% change) linmin: converged after 8 iterations. iteration 546: trace = 2.578881678225997 (2.09206e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881677957258 (1.04207e-08% change) linmin: converged after 3 iterations. iteration 548: trace = 2.578881677551496 (1.57341e-08% change) linmin: converged after 8 iterations. iteration 549: trace = 2.578881677156865 (1.53024e-08% change) linmin: converged after 9 iterations. iteration 550: trace = 2.578881677012285 (5.6063e-09% change) large trace change predicted (1.24192e-08%) linmin: converged after 25 iterations. iteration 551: trace = 2.578881676692006 (1.24193e-08% change) linmin: converged after 25 iterations. iteration 552: trace = 2.578881676201708 (1.9012e-08% change) linmin: converged after 5 iterations. iteration 553: trace = 2.578881676070328 (5.09447e-09% change) large trace change predicted (2.11621e-08%) linmin: converged after 7 iterations. iteration 554: trace = 2.578881675524583 (2.11621e-08% change) linmin: converged after 8 iterations. iteration 555: trace = 2.578881675290996 (9.05768e-09% change) linmin: converged after 22 iterations. iteration 556: trace = 2.578881675180982 (4.26597e-09% change) large trace change predicted (1.61602e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674764232 (1.61601e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674334009 (1.66825e-08% change) large trace change predicted (3.52697e-08%) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673424452 (3.52694e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.578881672880023 (2.1111e-08% change) linmin: converged after 5 iterations. iteration 561: trace = 2.578881672680256 (7.74626e-09% change) linmin: converged after 25 iterations. iteration 562: trace = 2.578881672362635 (1.23162e-08% change) linmin: converged after 19 iterations. iteration 563: trace = 2.578881672284253 (3.03939e-09% change) linmin: converged after 2 iterations. iteration 564: trace = 2.578881672129735 (5.99167e-09% change) linmin: converged after 17 iterations. iteration 565: trace = 2.578881671925359 (7.92497e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.57888167184932 (2.94855e-09% change) large trace change predicted (8.93328e-09%) linmin: converged after 24 iterations. iteration 567: trace = 2.578881671618939 (8.93335e-09% change) linmin: converged after 22 iterations. iteration 568: trace = 2.578881671439694 (6.9505e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881671390202 (1.91914e-09% change) large trace change predicted (8.98693e-09%) linmin: converged after 5 iterations. iteration 570: trace = 2.578881671158436 (8.98706e-09% change) linmin: converged after 16 iterations. iteration 571: trace = 2.578881671023423 (5.23534e-09% change) linmin: converged after 23 iterations. iteration 572: trace = 2.578881670886128 (5.3238e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.57888167061433 (1.05394e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.57888167047332 (5.4679e-09% change) linmin: converged after 2 iterations. iteration 575: trace = 2.578881670382614 (3.51723e-09% change) large trace change predicted (9.72658e-09%) linmin: converged after 4 iterations. iteration 576: trace = 2.578881670131778 (9.72653e-09% change) linmin: converged after 2 iterations. iteration 577: trace = 2.57888167005623 (2.92949e-09% change) large trace change predicted (8.33047e-09%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881669841399 (8.3304e-09% change) linmin: converged after 16 iterations. iteration 579: trace = 2.578881669671451 (6.58999e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881669616973 (2.11247e-09% change) large trace change predicted (7.63815e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.578881669419995 (7.63812e-09% change) linmin: converged after 3 iterations. iteration 582: trace = 2.578881669253416 (6.45934e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669214003 (1.52829e-09% change) large trace change predicted (3.75678e-09%) linmin: converged after 19 iterations. iteration 584: trace = 2.578881669117119 (3.75683e-09% change) linmin: converged after 21 iterations. iteration 585: trace = 2.578881668988493 (4.98767e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.578881668925138 (2.45667e-09% change) linmin: converged after 13 iterations. iteration 587: trace = 2.578881668828271 (3.75618e-09% change) linmin: converged after 17 iterations. iteration 588: trace = 2.578881668704732 (4.79039e-09% change) linmin: converged after 14 iterations. iteration 589: trace = 2.578881668664982 (1.54138e-09% change) large trace change predicted (5.54873e-09%) linmin: converged after 5 iterations. iteration 590: trace = 2.578881668521888 (5.54868e-09% change) linmin: converged after 15 iterations. iteration 591: trace = 2.578881668383914 (5.35017e-09% change) linmin: converged after 7 iterations. iteration 592: trace = 2.578881668294432 (3.46977e-09% change) linmin: converged after 19 iterations. iteration 593: trace = 2.578881668237628 (2.20267e-09% change) large trace change predicted (5.03978e-09%) linmin: converged after 6 iterations. iteration 594: trace = 2.578881668107656 (5.03986e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.578881668073455 (1.32618e-09% change) large trace change predicted (3.65727e-09%) linmin: converged after 6 iterations. iteration 596: trace = 2.578881667979138 (3.6573e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881667875772 (4.00818e-09% change) linmin: converged after 18 iterations. iteration 598: trace = 2.578881667853007 (8.82743e-10% change) large trace change predicted (4.69625e-09%) linmin: converged after 4 iterations. iteration 599: trace = 2.578881667731894 (4.69632e-09% change) linmin: converged after 12 iterations. iteration 600: trace = 2.578881667641204 (3.51666e-09% change) linmin: converged after 4 iterations. iteration 601: trace = 2.578881667613043 (1.09197e-09% change) large trace change predicted (2.753e-09%) linmin: converged after 4 iterations. iteration 602: trace = 2.578881667542047 (2.75296e-09% change) linmin: converged after 12 iterations. iteration 603: trace = 2.578881667459425 (3.20381e-09% change) linmin: converged after 14 iterations. iteration 604: trace = 2.578881667444047 (5.96319e-10% change) large trace change predicted (3.19409e-09%) linmin: converged after 17 iterations. iteration 605: trace = 2.578881667361677 (3.19401e-09% change) linmin: converged after 17 iterations. iteration 606: trace = 2.578881667305295 (2.18628e-09% change) linmin: converged after 15 iterations. iteration 607: trace = 2.578881667282311 (8.91267e-10% change) large trace change predicted (2.90575e-09%) linmin: converged after 4 iterations. iteration 608: trace = 2.578881667207375 (2.90576e-09% change) linmin: converged after 3 iterations. iteration 609: trace = 2.578881667147459 (2.32332e-09% change) linmin: converged after 9 iterations. iteration 610: trace = 2.578881667088488 (2.28669e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.578881666998828 (3.47671e-09% change) linmin: converged after 5 iterations. iteration 612: trace = 2.578881666926084 (2.82076e-09% change) linmin: converged after 6 iterations. iteration 613: trace = 2.57888166690396 (8.5786e-10% change) large trace change predicted (2.43285e-09%) linmin: converged after 2 iterations. iteration 614: trace = 2.57888166684122 (2.43287e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.57888166677574 (2.53905e-09% change) linmin: converged after 4 iterations. iteration 616: trace = 2.578881666757212 (7.18462e-10% change) large trace change predicted (2.50814e-09%) linmin: converged after 10 iterations. iteration 617: trace = 2.57888166669253 (2.50813e-09% change) linmin: converged after 6 iterations. iteration 618: trace = 2.578881666651681 (1.584e-09% change) linmin: converged after 15 iterations. iteration 619: trace = 2.578881666633528 (7.03911e-10% change) large trace change predicted (1.83281e-09%) linmin: converged after 18 iterations. iteration 620: trace = 2.578881666586263 (1.83275e-09% change) linmin: converged after 3 iterations. iteration 621: trace = 2.57888166653182 (2.11111e-09% change) linmin: converged after 12 iterations. iteration 622: trace = 2.578881666519719 (4.69251e-10% change) large trace change predicted (1.63917e-09%) linmin: converged after 13 iterations. iteration 623: trace = 2.57888166647745 (1.63906e-09% change) linmin: converged after 18 iterations. iteration 624: trace = 2.578881666465879 (4.48673e-10% change) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666443046 (8.85395e-10% change) linmin: converged after 15 iterations. iteration 626: trace = 2.578881666412798 (1.17289e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666407355 (2.11086e-10% change) large trace change predicted (7.81056e-10%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666387216 (7.8092e-10% change) linmin: converged after 5 iterations. iteration 629: trace = 2.578881666359142 (1.08859e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.578881666343821 (5.94098e-10% change) linmin: converged after 10 iterations. iteration 631: trace = 2.57888166633352 (3.9944e-10% change) linmin: converged after 14 iterations. iteration 632: trace = 2.578881666315105 (7.14071e-10% change) linmin: converged after 15 iterations. iteration 633: trace = 2.578881666302706 (4.80789e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666287663 (5.83318e-10% change) linmin: converged after 7 iterations. iteration 635: trace = 2.578881666262296 (9.83636e-10% change) linmin: converged after 9 iterations. iteration 636: trace = 2.578881666237984 (9.42738e-10% change) linmin: converged after 6 iterations. iteration 637: trace = 2.578881666228343 (3.73851e-10% change) large trace change predicted (1.48265e-09%) linmin: converged after 11 iterations. iteration 638: trace = 2.578881666190106 (1.48268e-09% change) linmin: converged after 7 iterations. iteration 639: trace = 2.578881666181165 (3.46695e-10% change) large trace change predicted (1.36478e-09%) linmin: converged after 5 iterations. iteration 640: trace = 2.578881666145971 (1.3647e-09% change) linmin: converged after 3 iterations. iteration 641: trace = 2.578881666122883 (8.95279e-10% change) linmin: converged after 15 iterations. iteration 642: trace = 2.578881666109266 (5.28024e-10% change) large trace change predicted (1.20858e-09%) linmin: converged after 4 iterations. iteration 643: trace = 2.578881666078096 (1.20865e-09% change) linmin: converged after 16 iterations. iteration 644: trace = 2.578881666054388 (9.19319e-10% change) linmin: converged after 10 iterations. iteration 645: trace = 2.578881666031477 (8.88409e-10% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881665998045 (1.29639e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665981172 (6.54282e-10% change) linmin: converged after 9 iterations. iteration 648: trace = 2.578881665954198 (1.04592e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881665913589 (1.57469e-09% change) linmin: converged after 7 iterations. iteration 650: trace = 2.578881665902702 (4.22154e-10% change) large trace change predicted (1.1464e-09%) linmin: converged after 6 iterations. iteration 651: trace = 2.578881665873137 (1.14642e-09% change) linmin: converged after 18 iterations. iteration 652: trace = 2.578881665839885 (1.28942e-09% change) linmin: converged after 15 iterations. iteration 653: trace = 2.578881665830862 (3.49881e-10% change) linmin: converged after 2 iterations. iteration 654: trace = 2.578881665817207 (5.29487e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665794501 (8.8047e-10% change) linmin: converged after 4 iterations. iteration 656: trace = 2.578881665787002 (2.90781e-10% change) large trace change predicted (7.61912e-10%) linmin: converged after 9 iterations. iteration 657: trace = 2.578881665767358 (7.61737e-10% change) linmin: converged after 3 iterations. iteration 658: trace = 2.578881665742176 (9.76438e-10% change) linmin: converged after 7 iterations. iteration 659: trace = 2.578881665722106 (7.78251e-10% change) linmin: converged after 10 iterations. iteration 660: trace = 2.578881665715547 (2.54343e-10% change) large trace change predicted (1.06009e-09%) linmin: converged after 10 iterations. iteration 661: trace = 2.57888166568821 (1.06003e-09% change) linmin: converged after 15 iterations. iteration 662: trace = 2.578881665671198 (6.59672e-10% change) linmin: converged after 5 iterations. iteration 663: trace = 2.578881665661258 (3.8544e-10% change) linmin: converged after 5 iterations. iteration 664: trace = 2.578881665642224 (7.38076e-10% change) linmin: converged after 6 iterations. iteration 665: trace = 2.578881665620788 (8.3122e-10% change) linmin: converged after 8 iterations. iteration 666: trace = 2.578881665613722 (2.73991e-10% change) large trace change predicted (8.01187e-10%) linmin: converged after 12 iterations. iteration 667: trace = 2.578881665593063 (8.01085e-10% change) linmin: converged after 9 iterations. iteration 668: trace = 2.578881665570797 (8.63388e-10% change) linmin: converged after 6 iterations. iteration 669: trace = 2.578881665562785 (3.1067e-10% change) large trace change predicted (6.48335e-10%) linmin: converged after 14 iterations. iteration 670: trace = 2.578881665546068 (6.48238e-10% change) linmin: converged after 2 iterations. iteration 671: trace = 2.578881665528613 (6.76841e-10% change) linmin: converged after 5 iterations. iteration 672: trace = 2.578881665523364 (2.03543e-10% change) large trace change predicted (5.97932e-10%) linmin: converged after 5 iterations. iteration 673: trace = 2.578881665507944 (5.97921e-10% change) linmin: converged after 9 iterations. iteration 674: trace = 2.578881665493631 (5.55025e-10% change) linmin: converged after 6 iterations. iteration 675: trace = 2.57888166548984 (1.47009e-10% change) large trace change predicted (3.77037e-10%) linmin: converged after 6 iterations. iteration 676: trace = 2.578881665480119 (3.76916e-10% change) linmin: converged after 5 iterations. iteration 677: trace = 2.578881665464972 (5.87365e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665461953 (1.1708e-10% change) large trace change predicted (6.74851e-10%) linmin: converged after 4 iterations. iteration 679: trace = 2.578881665444547 (6.74912e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665429346 (5.89466e-10% change) linmin: converged after 7 iterations. iteration 681: trace = 2.578881665423999 (2.07349e-10% change) large trace change predicted (5.60156e-10%) linmin: converged after 5 iterations. iteration 682: trace = 2.578881665409554 (5.60122e-10% change) linmin: converged after 3 iterations. iteration 683: trace = 2.578881665396096 (5.21824e-10% change) linmin: converged after 3 iterations. iteration 684: trace = 2.57888166539108 (1.94502e-10% change) large trace change predicted (6.56312e-10%) linmin: converged after 16 iterations. iteration 685: trace = 2.578881665374154 (6.56332e-10% change) linmin: converged after 7 iterations. iteration 686: trace = 2.578881665363821 (4.00697e-10% change) linmin: converged after 9 iterations. iteration 687: trace = 2.578881665358802 (1.94606e-10% change) large trace change predicted (4.55198e-10%) linmin: converged after 10 iterations. iteration 688: trace = 2.578881665347064 (4.55182e-10% change) linmin: converged after 4 iterations. iteration 689: trace = 2.578881665336897 (3.94223e-10% change) linmin: converged after 16 iterations. iteration 690: trace = 2.578881665333923 (1.15324e-10% change) large trace change predicted (3.39979e-10%) linmin: converged after 4 iterations. iteration 691: trace = 2.578881665325157 (3.3991e-10% change) linmin: converged after 4 iterations. iteration 692: trace = 2.578881665316311 (3.43027e-10% change) linmin: converged after 6 iterations. iteration 693: trace = 2.578881665313618 (1.04406e-10% change) large trace change predicted (2.96526e-10%) linmin: converged after 7 iterations. iteration 694: trace = 2.57888166530597 (2.96567e-10% change) linmin: converged after 6 iterations. iteration 695: trace = 2.578881665298785 (2.78606e-10% change) linmin: converged after 7 iterations. iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 7.066835165023804 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311410172535 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853103981993 (0.601528% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444441749315 (0.566464% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059546823127 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 7 iterations. iteration 5: trace = 2.697340830608071 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429760772978 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690564093613 (0.176043% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920542952841 (0.177502% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317568732568 (0.0597207% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110892691566 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993858887157 (0.0416873% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047331401911 (0.0726853% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749424417922 (0.0484945% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253258988021 (0.0185448% change) large trace change predicted (0.068996%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346651688732 (0.0668101% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597464826754 (0.0325118% change) large trace change predicted (0.0848744%) linmin: converged after 8 iterations. iteration 17: trace = 2.670556083231295 (0.0764111% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703646499506 (0.0319249% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900101656904 (0.0301032% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441533479629 (0.0171834% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894062344125 (0.0205186% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712188808791 (0.00681735% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380419114014 (0.0124373% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218855539889 (0.0060572% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847521292431 (0.0139231% change) linmin: converged after 3 iterations. iteration 26: trace = 2.6667143800038 (0.00499258% change) large trace change predicted (0.0115123%) linmin: converged after 4 iterations. iteration 27: trace = 2.66640781126585 (0.0114968% change) linmin: converged after 11 iterations. iteration 28: trace = 2.666220086697824 (0.0070406% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972895818446 (0.00927164% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665788972806222 (0.00689915% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603882228924 (0.00694342% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322188329073 (0.0105683% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175158192592 (0.00551656% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933715828463 (0.00905957% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826780090388 (0.00401278% change) large trace change predicted (0.00927276%) linmin: converged after 4 iterations. iteration 36: trace = 2.66457547825066 (0.00943077% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485881232104 (0.00336258% change) large trace change predicted (0.00824578%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263025652231 (0.00836427% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167506728726 (0.00358526% change) large trace change predicted (0.00963708%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907469075595 (0.00976104% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804843372543 (0.00385252% change) large trace change predicted (0.0104144%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525567935192 (0.0104846% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401433118001 (0.00466065% change) large trace change predicted (0.00944252%) linmin: converged after 4 iterations. iteration 44: trace = 2.663148934646257 (0.00948075% change) linmin: converged after 5 iterations. iteration 45: trace = 2.663044722878014 (0.00391318% change) large trace change predicted (0.00794065%) linmin: converged after 6 iterations. iteration 46: trace = 2.662833185848342 (0.00794374% change) linmin: converged after 7 iterations. iteration 47: trace = 2.662716651292053 (0.00437643% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492747508043 (0.0084092% change) linmin: converged after 4 iterations. iteration 49: trace = 2.662363037863714 (0.00487186% change) linmin: converged after 4 iterations. iteration 50: trace = 2.662194241317517 (0.0063403% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058110012701 (0.00511363% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879837579253 (0.00669701% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724274974738 (0.00584426% change) linmin: converged after 3 iterations. iteration 54: trace = 2.661571455766341 (0.00574153% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350484327378 (0.00830264% change) linmin: converged after 4 iterations. iteration 56: trace = 2.6611907399719 (0.00600256% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967561304287 (0.00838677% change) linmin: converged after 5 iterations. iteration 58: trace = 2.66084913615252 (0.00445055% change) large trace change predicted (0.00999701%) linmin: converged after 4 iterations. iteration 59: trace = 2.660585993234703 (0.00988992% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492776586203 (0.00350367% change) large trace change predicted (0.00837954%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271581660874 (0.0083144% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168609590275 (0.00387081% change) large trace change predicted (0.0102888%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896367675257 (0.0102345% change) linmin: converged after 3 iterations. iteration 64: trace = 2.659777297611458 (0.00447659% change) linmin: converged after 4 iterations. iteration 65: trace = 2.659570122497851 (0.00778949% change) linmin: converged after 4 iterations. iteration 66: trace = 2.659406458669784 (0.00615396% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264246045999 (0.00534768% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119260361261 (0.00545225% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023749085827 (0.0035919% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.65891569687871 (0.00406369% change) large trace change predicted (0.0163852%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478029559357 (0.0164617% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118864432807 (0.0135111% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882808808801 (0.00888095% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598191615639 (0.010709% change) linmin: converged after 3 iterations. iteration 75: trace = 2.65754141878134 (0.00213627% change) large trace change predicted (0.00463006%) linmin: converged after 3 iterations. iteration 76: trace = 2.6574181599615 (0.00463818% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346029134954 (0.00271436% change) linmin: converged after 4 iterations. iteration 78: trace = 2.657324623641427 (0.000805525% change) large trace change predicted (0.00211714%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268244732419 (0.00212166% change) linmin: converged after 4 iterations. iteration 80: trace = 2.657245571948162 (0.00085324% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219519060036 (0.000980452% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182540698972 (0.00139163% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167952997687 (0.000548993% change) large trace change predicted (0.00207297%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112818408914 (0.00207496% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657051996839505 (0.00228904% change) linmin: converged after 4 iterations. iteration 86: trace = 2.65701749848855 (0.00129838% change) large trace change predicted (0.00419276%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905828655492 (0.00420291% change) linmin: converged after 5 iterations. iteration 88: trace = 2.656840696939022 (0.00245144% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716135156853 (0.00468845% change) linmin: converged after 4 iterations. iteration 90: trace = 2.656564648783219 (0.00570218% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504293119446 (0.00227197% change) large trace change predicted (0.00808399%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289710721658 (0.00807795% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193398884594 (0.00362587% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063303563878 (0.00489793% change) linmin: converged after 4 iterations. iteration 95: trace = 2.65588978810328 (0.00653302% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839026062192 (0.00191132% change) large trace change predicted (0.00421328%) linmin: converged after 4 iterations. iteration 97: trace = 2.655727133042021 (0.00421318% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616063930675 (0.00418234% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571094945199 (0.00169337% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503705479084 (0.0025377% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488873170593 (0.000558551% change) large trace change predicted (0.00182285%) linmin: converged after 4 iterations. iteration 102: trace = 2.655440488909325 (0.00182206% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383123394544 (0.00216032% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357411136051 (0.000968312% change) large trace change predicted (0.00357609%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262405601 (0.00357795% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229505066107 (0.00123908% change) large trace change predicted (0.00270573%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157599236592 (0.00270812% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030881092197 (0.00477264% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980391165855 (0.00190169% change) large trace change predicted (0.00534938%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838247825655 (0.00535398% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712126604666 (0.00475073% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658435472756 (0.0020225% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566797648508 (0.00345202% change) linmin: converged after 5 iterations. iteration 114: trace = 2.654539465977521 (0.00102961% change) large trace change predicted (0.00383317%) linmin: converged after 3 iterations. iteration 115: trace = 2.654437740028257 (0.00383222% change) linmin: converged after 13 iterations. iteration 116: trace = 2.65436452799665 (0.00275814% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340158878017 (0.000918082% change) large trace change predicted (0.00275112%) linmin: converged after 4 iterations. iteration 118: trace = 2.654267180109325 (0.00274945% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255143822632 (0.00045347% change) large trace change predicted (0.00136357%) linmin: converged after 8 iterations. iteration 120: trace = 2.654218969640244 (0.00136288% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200850635746 (0.000682652% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193372526644 (0.000281747% change) large trace change predicted (0.000758505%) linmin: converged after 4 iterations. iteration 123: trace = 2.654173241575085 (0.000758461% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167273712889 (0.000224849% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157909158193 (0.000352825% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147418774747 (0.000395244% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143555327086 (0.000145563% change) large trace change predicted (0.000376651%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133558239182 (0.00037666% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120959872817 (0.000474671% change) linmin: converged after 21 iterations. iteration 130: trace = 2.654109179577582 (0.00044385% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085868645411 (0.0008783% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077836153245 (0.000302647% change) large trace change predicted (0.000990896%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051522513667 (0.000991447% change) linmin: converged after 3 iterations. iteration 134: trace = 2.654040114299677 (0.000429842% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033606051378 (0.000245221% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022205557455 (0.000429554% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018098603656 (0.000154745% change) large trace change predicted (0.000481156%) linmin: converged after 5 iterations. iteration 138: trace = 2.654005327795167 (0.000481189% change) linmin: converged after 3 iterations. iteration 139: trace = 2.653997021399157 (0.000312976% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995080608912 (7.31271e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.653992464817057 (9.85606e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.65399014967916 (8.72323e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988580944425 (5.91086e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.653985739809346 (0.000107052% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984641152611 (4.13965e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.653982736506997 (7.17655e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.653979596551558 (0.000118311% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979052575707 (2.04966e-05% change) large trace change predicted (9.46882e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976539466266 (9.46922e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975151881646 (5.22832e-05% change) linmin: converged after 5 iterations. iteration 151: trace = 2.653973691954598 (5.50091e-05% change) large trace change predicted (0.000111661%) linmin: converged after 3 iterations. iteration 152: trace = 2.653970728523313 (0.00011166% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968438090717 (8.63021e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966784561564 (6.2304e-05% change) large trace change predicted (0.000206075%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961315079321 (0.000206087% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959584120117 (6.52217e-05% change) large trace change predicted (0.000249312%) linmin: converged after 3 iterations. iteration 157: trace = 2.65395296754646 (0.00024931% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947560836003 (0.000203723% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944309648854 (0.000122504% change) large trace change predicted (0.000321213%) linmin: converged after 4 iterations. iteration 160: trace = 2.65393578269613 (0.000321294% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926965929053 (0.000332215% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925360915887 (6.04769e-05% change) large trace change predicted (0.000210665%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919769468554 (0.000210686% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917949358118 (6.8582e-05% change) linmin: converged after 8 iterations. iteration 165: trace = 2.653915873877871 (7.82044e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.653913454543818 (9.1161e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912730379727 (2.72867e-05% change) large trace change predicted (0.00010043%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910064827467 (0.000100439% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908234667604 (6.89609e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907652618004 (2.19318e-05% change) large trace change predicted (7.38625e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905692644661 (7.38524e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.653904098895143 (6.0053e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903597632391 (1.88878e-05% change) large trace change predicted (6.97881e-05%) linmin: converged after 5 iterations. iteration 174: trace = 2.653901745726903 (6.97805e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900307126863 (5.4207e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899658444773 (2.44426e-05% change) large trace change predicted (8.21584e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897478275626 (8.21497e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894782819264 (0.000101566% change) linmin: converged after 31 iterations. iteration 179: trace = 2.653893723787848 (3.99048e-05% change) large trace change predicted (0.000173279%) linmin: converged after 5 iterations. iteration 180: trace = 2.653889125017648 (0.000173284% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888300310475 (3.10754e-05% change) large trace change predicted (9.92876e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885665113354 (9.92958e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883597375262 (7.79136e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882449471755 (4.32537e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880512402468 (7.299e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029345772 (1.82019e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.653879271442776 (2.85583e-05% change) linmin: converged after 2 iterations. iteration 188: trace = 2.653878601734299 (2.52351e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.6538784001655 (7.59525e-06% change) large trace change predicted (1.88307e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877900427086 (1.88305e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877421558993 (1.80441e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.65387730987687 (4.20826e-06% change) large trace change predicted (1.21109e-05%) linmin: converged after 3 iterations. iteration 193: trace = 2.653876988472429 (1.21108e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876701439056 (1.08156e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.653876503410812 (7.46185e-06% change) large trace change predicted (1.82642e-05%) linmin: converged after 5 iterations. iteration 196: trace = 2.653876018717266 (1.82636e-05% change) linmin: converged after 11 iterations. iteration 197: trace = 2.653875743899023 (1.03554e-05% change) large trace change predicted (2.57543e-05%) linmin: converged after 4 iterations. iteration 198: trace = 2.653875060450527 (2.57528e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.653874147184598 (3.44126e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873614591419 (2.00685e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.6538729333311 (2.56704e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871895566034 (3.91038e-05% change) linmin: converged after 15 iterations. iteration 203: trace = 2.65387155607623 (1.27922e-05% change) large trace change predicted (3.29723e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870680971224 (3.29747e-05% change) linmin: converged after 21 iterations. iteration 205: trace = 2.653870122826004 (2.10314e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.653869969560776 (5.77516e-06% change) large trace change predicted (1.29054e-05%) linmin: converged after 3 iterations. iteration 207: trace = 2.653869627068521 (1.29054e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869358862778 (1.01062e-05% change) linmin: converged after 5 iterations. iteration 209: trace = 2.653869078066302 (1.05806e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868925079117 (5.76468e-06% change) linmin: converged after 10 iterations. iteration 211: trace = 2.65386885402022 (2.67756e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868738796709 (4.34172e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868657394825 (3.06729e-06% change) large trace change predicted (6.76972e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868477723293 (6.77017e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868237619988 (9.0473e-06% change) linmin: converged after 6 iterations. iteration 216: trace = 2.653868167286306 (2.65023e-06% change) large trace change predicted (1.06308e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.653867885147639 (1.06312e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.653867608071129 (1.04405e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.65386744165509 (6.2707e-06% change) large trace change predicted (1.45434e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867055690426 (1.45435e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866913835114 (5.34523e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.653866652758798 (9.83758e-06% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866355935795 (1.11845e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866272878552 (3.12967e-06% change) large trace change predicted (6.68331e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866095517378 (6.68312e-06% change) linmin: converged after 4 iterations. iteration 226: trace = 2.653865950140019 (5.47795e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.653865910912876 (1.47811e-06% change) large trace change predicted (5.24753e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.6538657716561 (5.24732e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865715078113 (2.13191e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.653865636506092 (2.96066e-06% change) linmin: converged after 28 iterations. iteration 231: trace = 2.653865564265992 (2.72207e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 2.653865464245028 (3.76888e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.653865437462328 (1.0092e-06% change) large trace change predicted (5.0147e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.653865304386845 (5.0144e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.65386519536098 (4.10819e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.653865111140421 (3.17351e-06% change) large trace change predicted (8.85399e-06%) linmin: converged after 5 iterations. iteration 237: trace = 2.653864876182085 (8.85344e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.653864810780303 (2.4644e-06% change) large trace change predicted (1.39121e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.65386444158312 (1.39117e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864092884526 (1.31393e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653863976297839 (4.39309e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.653863767119183 (7.88204e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863499038534 (1.01015e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.65386341956879 (2.99449e-06% change) large trace change predicted (8.43221e-06%) linmin: converged after 2 iterations. iteration 245: trace = 2.653863195775577 (8.43273e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863002305884 (7.29012e-06% change) linmin: converged after 3 iterations. iteration 247: trace = 2.653862939461485 (2.36803e-06% change) linmin: converged after 7 iterations. iteration 248: trace = 2.653862838047807 (3.82136e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.653862750547567 (3.29709e-06% change) linmin: converged after 9 iterations. iteration 250: trace = 2.653862731551472 (7.1579e-07% change) large trace change predicted (2.498e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.653862665259322 (2.49795e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862631829987 (1.25965e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.653862598619071 (1.25142e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.653862553637281 (1.69496e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862499020986 (2.05799e-06% change) linmin: converged after 2 iterations. iteration 256: trace = 2.653862476489225 (8.49018e-07% change) large trace change predicted (3.93247e-06%) linmin: converged after 5 iterations. iteration 257: trace = 2.653862372131893 (3.93228e-06% change) linmin: converged after 24 iterations. iteration 258: trace = 2.653862348759161 (8.80706e-07% change) large trace change predicted (4.30763e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.65386223444527 (4.30745e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.653862135935652 (3.71193e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.653862104064693 (1.20093e-06% change) large trace change predicted (3.53299e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.65386201030362 (3.533e-06% change) linmin: converged after 3 iterations. iteration 263: trace = 2.653861927898538 (3.1051e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.653861896369311 (1.18805e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861837885878 (2.20371e-06% change) linmin: converged after 2 iterations. iteration 266: trace = 2.653861792896794 (1.69523e-06% change) linmin: converged after 3 iterations. iteration 267: trace = 2.653861759420286 (1.26143e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861720311059 (1.47367e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.653861710725057 (3.6121e-07% change) large trace change predicted (9.52169e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.65386168545558 (9.52178e-07% change) linmin: converged after 5 iterations. iteration 271: trace = 2.653861666931449 (6.98007e-07% change) linmin: converged after 6 iterations. iteration 272: trace = 2.653861660748593 (2.32976e-07% change) linmin: converged after 4 iterations. iteration 273: trace = 2.653861650914114 (3.70572e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861639321258 (4.3683e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 2.653861636727051 (9.77522e-08% change) large trace change predicted (5.0528e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623317571 (5.05282e-07% change) linmin: converged after 3 iterations. iteration 277: trace = 2.653861615551344 (2.92639e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.653861610178305 (2.02461e-07% change) large trace change predicted (1.72368e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.653861564434906 (1.72365e-06% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.653861550375273 (5.2978e-07% change) linmin: converged after 18 iterations. iteration 281: trace = 2.653861533159478 (6.48707e-07% change) linmin: converged after 10 iterations. iteration 282: trace = 2.653861521115103 (4.53843e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 2.653861516953647 (1.56808e-07% change) large trace change predicted (3.19547e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.653861508473216 (3.19551e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 2.653861501935062 (2.46364e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.65386149731999 (1.739e-07% change) large trace change predicted (3.9222e-07%) linmin: converged after 3 iterations. iteration 287: trace = 2.653861486911017 (3.9222e-07% change) linmin: converged after 12 iterations. iteration 288: trace = 2.653861481122196 (2.18128e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.653861475156671 (2.24787e-07% change) large trace change predicted (5.66199e-07%) linmin: converged after 3 iterations. iteration 290: trace = 2.653861460130549 (5.66198e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 2.653861454278267 (2.20519e-07% change) large trace change predicted (6.21929e-07%) linmin: converged after 24 iterations. iteration 292: trace = 2.653861437772868 (6.21939e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861418071272 (7.42375e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.653861409006131 (3.41583e-07% change) large trace change predicted (9.24339e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384475761 (9.24327e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861360407902 (9.069e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 2.653861352155527 (3.10957e-07% change) large trace change predicted (1.24076e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.653861319227775 (1.24075e-06% change) linmin: converged after 13 iterations. iteration 299: trace = 2.65386130224904 (6.39775e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.653861282671801 (7.37689e-07% change) linmin: converged after 5 iterations. iteration 301: trace = 2.653861260636838 (8.30298e-07% change) linmin: converged after 11 iterations. iteration 302: trace = 2.653861251811262 (3.32556e-07% change) linmin: converged after 5 iterations. iteration 303: trace = 2.653861234499165 (6.52336e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.65386122012131 (5.41771e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.653861216396757 (1.40345e-07% change) large trace change predicted (3.07863e-07%) linmin: converged after 4 iterations. iteration 306: trace = 2.653861208226429 (3.07866e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861199165063 (3.41441e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.653861197442059 (6.49244e-08% change) large trace change predicted (3.45227e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188280197 (3.45228e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.653861179736291 (3.21942e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.653861173933652 (2.18649e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168434974 (2.07195e-07% change) large trace change predicted (4.92209e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.653861155372515 (4.92206e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150083162 (1.99308e-07% change) large trace change predicted (4.55581e-07%) linmin: converged after 8 iterations. iteration 315: trace = 2.653861137992869 (4.55574e-07% change) linmin: converged after 11 iterations. iteration 316: trace = 2.653861122355589 (5.89228e-07% change) linmin: converged after 18 iterations. iteration 317: trace = 2.653861117798604 (1.71712e-07% change) large trace change predicted (4.97835e-07%) linmin: converged after 10 iterations. iteration 318: trace = 2.653861104586823 (4.97832e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.653861092670461 (4.4902e-07% change) linmin: converged after 3 iterations. iteration 320: trace = 2.653861087498114 (1.94899e-07% change) large trace change predicted (6.37322e-07%) linmin: converged after 2 iterations. iteration 321: trace = 2.653861070584414 (6.37324e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.653861067551996 (1.14264e-07% change) large trace change predicted (2.31387e-07%) linmin: converged after 4 iterations. iteration 323: trace = 2.65386106141127 (2.31388e-07% change) linmin: converged after 3 iterations. iteration 324: trace = 2.653861056695451 (1.77697e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105544654 (4.70601e-08% change) large trace change predicted (1.198e-07%) linmin: converged after 7 iterations. iteration 326: trace = 2.653861052267201 (1.19801e-07% change) linmin: converged after 8 iterations. iteration 327: trace = 2.653861049784804 (9.35391e-08% change) linmin: converged after 6 iterations. iteration 328: trace = 2.653861048816704 (3.64789e-08% change) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047196903 (6.10356e-08% change) linmin: converged after 25 iterations. iteration 330: trace = 2.653861046134907 (4.0017e-08% change) linmin: converged after 6 iterations. iteration 331: trace = 2.653861044752584 (5.20872e-08% change) linmin: converged after 3 iterations. iteration 332: trace = 2.653861042721359 (7.65385e-08% change) linmin: converged after 30 iterations. iteration 333: trace = 2.653861042116108 (2.28064e-08% change) large trace change predicted (1.13853e-07%) linmin: converged after 2 iterations. iteration 334: trace = 2.653861039094593 (1.13854e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861036131572 (1.11649e-07% change) linmin: converged after 27 iterations. iteration 336: trace = 2.653861034242886 (7.11675e-08% change) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030716774 (1.32867e-07% change) linmin: converged after 22 iterations. iteration 338: trace = 2.653861026751165 (1.49428e-07% change) linmin: converged after 3 iterations. iteration 339: trace = 2.653861023211925 (1.33362e-07% change) linmin: converged after 3 iterations. iteration 340: trace = 2.653861021859958 (5.09434e-08% change) large trace change predicted (1.35994e-07%) linmin: converged after 4 iterations. iteration 341: trace = 2.653861018250889 (1.35993e-07% change) linmin: converged after 4 iterations. iteration 342: trace = 2.653861017185342 (4.01508e-08% change) large trace change predicted (8.60729e-08%) linmin: converged after 29 iterations. iteration 343: trace = 2.653861014901093 (8.60727e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861012009986 (1.0894e-07% change) linmin: converged after 32 iterations. iteration 345: trace = 2.653861011520676 (1.84377e-08% change) large trace change predicted (7.53211e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.65386100952177 (7.53207e-08% change) linmin: converged after 11 iterations. iteration 347: trace = 2.653861008483884 (3.91085e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861008068904 (1.56368e-08% change) large trace change predicted (4.68855e-08%) linmin: converged after 2 iterations. iteration 349: trace = 2.65386100682463 (4.68854e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861006025447 (3.0114e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.653861005676052 (1.31655e-08% change) large trace change predicted (2.95944e-08%) linmin: converged after 2 iterations. iteration 352: trace = 2.653861004890656 (2.95945e-08% change) linmin: converged after 6 iterations. iteration 353: trace = 2.653861003736128 (4.35037e-08% change) linmin: converged after 18 iterations. iteration 354: trace = 2.653861003287212 (1.69156e-08% change) large trace change predicted (6.13576e-08%) linmin: converged after 15 iterations. iteration 355: trace = 2.653861001658863 (6.13578e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.653861001224155 (1.63802e-08% change) large trace change predicted (6.75109e-08%) linmin: converged after 4 iterations. iteration 357: trace = 2.65386099943251 (6.75109e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653860997557949 (7.06353e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996942836 (2.31781e-08% change) large trace change predicted (7.98076e-08%) linmin: converged after 4 iterations. iteration 360: trace = 2.653860994824857 (7.98075e-08% change) linmin: converged after 4 iterations. iteration 361: trace = 2.653860993724631 (4.14575e-08% change) linmin: converged after 3 iterations. iteration 362: trace = 2.653860992369909 (5.10472e-08% change) linmin: converged after 4 iterations. iteration 363: trace = 2.653860990436661 (7.28466e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989954883 (1.81539e-08% change) large trace change predicted (4.99506e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860988629264 (4.99506e-08% change) linmin: converged after 2 iterations. iteration 366: trace = 2.653860987592098 (3.90814e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.653860987302343 (1.09183e-08% change) large trace change predicted (2.99052e-08%) linmin: converged after 4 iterations. iteration 368: trace = 2.653860986508704 (2.99051e-08% change) linmin: converged after 2 iterations. iteration 369: trace = 2.653860985777513 (2.7552e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985541496 (8.89336e-09% change) linmin: converged after 5 iterations. iteration 371: trace = 2.653860985182945 (1.35105e-08% change) linmin: converged after 9 iterations. iteration 372: trace = 2.653860984531133 (2.45609e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.653860984357667 (6.53637e-09% change) large trace change predicted (3.17096e-08%) linmin: converged after 4 iterations. iteration 374: trace = 2.653860983516143 (3.17094e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860982746636 (2.89958e-08% change) linmin: converged after 6 iterations. iteration 376: trace = 2.653860982367601 (1.42824e-08% change) large trace change predicted (5.63534e-08%) linmin: converged after 2 iterations. iteration 377: trace = 2.65386098087206 (5.63534e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.653860980325325 (2.06015e-08% change) large trace change predicted (7.91561e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978224627 (7.91563e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.65386097657802 (6.20457e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.653860974677374 (7.16182e-08% change) linmin: converged after 3 iterations. iteration 382: trace = 2.653860974248397 (1.61642e-08% change) large trace change predicted (5.56889e-08%) linmin: converged after 10 iterations. iteration 383: trace = 2.653860972770481 (5.56893e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860971403246 (5.15187e-08% change) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971106946 (1.11648e-08% change) large trace change predicted (4.60698e-08%) linmin: converged after 24 iterations. iteration 386: trace = 2.653860969884318 (4.60698e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.65386096918897 (2.62014e-08% change) linmin: converged after 15 iterations. iteration 388: trace = 2.65386096901819 (6.43513e-09% change) large trace change predicted (1.86457e-08%) linmin: converged after 18 iterations. iteration 389: trace = 2.653860968523357 (1.86458e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968158674 (1.37416e-08% change) linmin: converged after 35 iterations. iteration 391: trace = 2.653860967960512 (7.46696e-09% change) linmin: converged after 3 iterations. iteration 392: trace = 2.653860967648039 (1.17743e-08% change) linmin: converged after 18 iterations. iteration 393: trace = 2.653860967490427 (5.93898e-09% change) linmin: converged after 4 iterations. iteration 394: trace = 2.653860967241791 (9.36887e-09% change) linmin: converged after 2 iterations. iteration 395: trace = 2.653860966809531 (1.6288e-08% change) linmin: converged after 6 iterations. iteration 396: trace = 2.653860966706069 (3.89855e-09% change) large trace change predicted (2.54919e-08%) linmin: converged after 23 iterations. iteration 397: trace = 2.653860966029556 (2.54917e-08% change) linmin: converged after 6 iterations. iteration 398: trace = 2.653860965630015 (1.50551e-08% change) linmin: converged after 3 iterations. iteration 399: trace = 2.653860965304476 (1.22666e-08% change) large trace change predicted (2.54255e-08%) linmin: converged after 25 iterations. iteration 400: trace = 2.65386096462972 (2.54254e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964155916 (1.78534e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.653860963907952 (9.34351e-09% change) large trace change predicted (2.29606e-08%) linmin: converged after 6 iterations. iteration 403: trace = 2.653860963298608 (2.29606e-08% change) linmin: converged after 3 iterations. iteration 404: trace = 2.653860962880434 (1.57572e-08% change) linmin: converged after 26 iterations. iteration 405: trace = 2.653860962648136 (8.7532e-09% change) linmin: converged after 5 iterations. iteration 406: trace = 2.653860962335183 (1.17924e-08% change) linmin: converged after 24 iterations. iteration 407: trace = 2.653860962126452 (7.86516e-09% change) linmin: converged after 8 iterations. iteration 408: trace = 2.653860962024114 (3.85618e-09% change) linmin: converged after 2 iterations. iteration 409: trace = 2.653860961824432 (7.52421e-09% change) linmin: converged after 21 iterations. iteration 410: trace = 2.653860961752544 (2.70882e-09% change) linmin: converged after 7 iterations. iteration 411: trace = 2.653860961683975 (2.58373e-09% change) linmin: converged after 5 iterations. iteration 412: trace = 2.653860961592263 (3.45581e-09% change) linmin: converged after 10 iterations. iteration 413: trace = 2.653860961543851 (1.82422e-09% change) linmin: converged after 4 iterations. iteration 414: trace = 2.653860961479011 (2.4432e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961392956 (3.24266e-09% change) linmin: converged after 5 iterations. iteration 416: trace = 2.65386096131743 (2.84587e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961274856 (1.60424e-09% change) large trace change predicted (7.61443e-09%) linmin: converged after 19 iterations. iteration 418: trace = 2.653860961072778 (7.61449e-09% change) linmin: converged after 4 iterations. iteration 419: trace = 2.653860960828427 (9.20737e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.653860960647904 (6.80228e-09% change) linmin: converged after 19 iterations. iteration 421: trace = 2.653860960488238 (6.01639e-09% change) linmin: converged after 15 iterations. iteration 422: trace = 2.653860960457683 (1.15131e-09% change) linmin: converged after 4 iterations. iteration 423: trace = 2.653860960397895 (2.25288e-09% change) linmin: converged after 4 iterations. iteration 424: trace = 2.653860960331005 (2.52048e-09% change) linmin: converged after 19 iterations. iteration 425: trace = 2.653860960313058 (6.76259e-10% change) large trace change predicted (3.02963e-09%) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960232654 (3.02972e-09% change) linmin: converged after 18 iterations. iteration 427: trace = 2.653860960202634 (1.13116e-09% change) linmin: converged after 15 iterations. iteration 428: trace = 2.653860960151567 (1.92426e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960075439 (2.86859e-09% change) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960049703 (9.69752e-10% change) large trace change predicted (3.48318e-09%) linmin: converged after 2 iterations. iteration 431: trace = 2.653860959957266 (3.48312e-09% change) linmin: converged after 4 iterations. iteration 432: trace = 2.653860959834929 (4.60977e-09% change) linmin: converged after 21 iterations. iteration 433: trace = 2.653860959792721 (1.59042e-09% change) large trace change predicted (5.51401e-09%) linmin: converged after 3 iterations. iteration 434: trace = 2.65386095964639 (5.51391e-09% change) linmin: converged after 9 iterations. iteration 435: trace = 2.653860959509967 (5.14053e-09% change) linmin: converged after 8 iterations. iteration 436: trace = 2.653860959455933 (2.03606e-09% change) large trace change predicted (6.5289e-09%) linmin: converged after 9 iterations. iteration 437: trace = 2.653860959282671 (6.5287e-09% change) linmin: converged after 24 iterations. iteration 438: trace = 2.65386095908555 (7.42767e-09% change) linmin: converged after 4 iterations. iteration 439: trace = 2.653860959040805 (1.68604e-09% change) large trace change predicted (8.09764e-09%) linmin: converged after 3 iterations. iteration 440: trace = 2.653860958825907 (8.09759e-09% change) linmin: converged after 10 iterations. iteration 441: trace = 2.653860958707799 (4.4504e-09% change) linmin: converged after 16 iterations. iteration 442: trace = 2.653860958660138 (1.79593e-09% change) large trace change predicted (5.15645e-09%) linmin: converged after 4 iterations. iteration 443: trace = 2.653860958523291 (5.15652e-09% change) linmin: converged after 13 iterations. iteration 444: trace = 2.653860958429302 (3.54157e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958410826 (6.96206e-10% change) large trace change predicted (2.13082e-09%) linmin: converged after 12 iterations. iteration 446: trace = 2.653860958354281 (2.13069e-09% change) linmin: converged after 12 iterations. iteration 447: trace = 2.653860958306856 (1.78701e-09% change) linmin: converged after 16 iterations. iteration 448: trace = 2.653860958291415 (5.81831e-10% change) large trace change predicted (2.31693e-09%) linmin: converged after 14 iterations. iteration 449: trace = 2.653860958229925 (2.31702e-09% change) linmin: converged after 9 iterations. iteration 450: trace = 2.653860958176105 (2.02796e-09% change) linmin: converged after 15 iterations. iteration 451: trace = 2.653860958134957 (1.55051e-09% change) linmin: converged after 13 iterations. iteration 452: trace = 2.653860958103313 (1.19238e-09% change) large trace change predicted (3.16997e-09%) linmin: converged after 3 iterations. iteration 453: trace = 2.653860958019188 (3.1699e-09% change) linmin: converged after 16 iterations. iteration 454: trace = 2.653860957973268 (1.73033e-09% change) linmin: converged after 13 iterations. iteration 455: trace = 2.653860957912659 (2.28378e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.653860957802967 (4.13333e-09% change) linmin: converged after 21 iterations. iteration 457: trace = 2.653860957776588 (9.93982e-10% change) large trace change predicted (2.49512e-09%) linmin: converged after 2 iterations. iteration 458: trace = 2.65386095771037 (2.49516e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.653860957609381 (3.80536e-09% change) linmin: converged after 6 iterations. iteration 460: trace = 2.653860957587652 (8.18763e-10% change) large trace change predicted (3.53265e-09%) linmin: converged after 9 iterations. iteration 461: trace = 2.653860957493902 (3.53257e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957453567 (1.51989e-09% change) linmin: converged after 4 iterations. iteration 463: trace = 2.653860957425482 (1.05826e-09% change) linmin: converged after 8 iterations. iteration 464: trace = 2.653860957392035 (1.26032e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.653860957373471 (6.99502e-10% change) linmin: converged after 3 iterations. iteration 466: trace = 2.653860957355178 (6.89295e-10% change) linmin: converged after 6 iterations. iteration 467: trace = 2.653860957335606 (7.37488e-10% change) linmin: converged after 6 iterations. iteration 468: trace = 2.653860957330625 (1.87702e-10% change) large trace change predicted (5.11928e-10%) linmin: converged after 12 iterations. iteration 469: trace = 2.65386095731704 (5.11901e-10% change) linmin: converged after 3 iterations. iteration 470: trace = 2.653860957302546 (5.46121e-10% change) linmin: converged after 13 iterations. iteration 471: trace = 2.653860957299613 (1.10543e-10% change) large trace change predicted (6.33462e-10%) linmin: converged after 6 iterations. iteration 472: trace = 2.6538609572828 (6.33521e-10% change) linmin: converged after 7 iterations. iteration 473: trace = 2.653860957267194 (5.88039e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.653860957254259 (4.87403e-10% change) linmin: converged after 3 iterations. iteration 475: trace = 2.653860957244893 (3.52947e-10% change) large trace change predicted (8.70554e-10%) linmin: converged after 3 iterations. iteration 476: trace = 2.653860957221787 (8.70638e-10% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957203586 (6.85848e-10% change) linmin: converged after 12 iterations. iteration 478: trace = 2.653860957193507 (3.79771e-10% change) large trace change predicted (1.15727e-09%) linmin: converged after 7 iterations. iteration 479: trace = 2.653860957162796 (1.15722e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.653860957152354 (3.93476e-10% change) large trace change predicted (7.91997e-10%) linmin: converged after 2 iterations. iteration 481: trace = 2.653860957131337 (7.91939e-10% change) linmin: converged after 12 iterations. iteration 482: trace = 2.653860957105225 (9.83925e-10% change) linmin: converged after 15 iterations. iteration 483: trace = 2.653860957096376 (3.33436e-10% change) large trace change predicted (7.68681e-10%) linmin: converged after 4 iterations. iteration 484: trace = 2.653860957075975 (7.68713e-10% change) linmin: converged after 7 iterations. iteration 485: trace = 2.653860957061548 (5.43628e-10% change) linmin: converged after 4 iterations. iteration 486: trace = 2.653860957054837 (2.52863e-10% change) linmin: converged after 3 iterations. iteration 487: trace = 2.653860957047202 (2.87719e-10% change) linmin: converged after 3 iterations. iteration 488: trace = 2.653860957042094 (1.92454e-10% change) linmin: converged after 3 iterations. iteration 489: trace = 2.653860957037943 (1.5641e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.65386095703434 (1.35794e-10% change) linmin: converged after 6 iterations. iteration 491: trace = 2.653860957030801 (1.33351e-10% change) linmin: converged after 3 iterations. iteration 492: trace = 2.653860957025126 (2.1384e-10% change) linmin: converged after 3 iterations. iteration 493: trace = 2.65386095702037 (1.79218e-10% change) linmin: converged after 9 iterations. iteration 494: trace = 2.653860957012349 (3.02211e-10% change) linmin: converged after 3 iterations. iteration 495: trace = 2.653860957000387 (4.50739e-10% change) linmin: converged after 3 iterations. iteration 496: trace = 2.65386095699586 (1.706e-10% change) large trace change predicted (5.37929e-10%) linmin: converged after 4 iterations. iteration 497: trace = 2.653860956981582 (5.38005e-10% change) linmin: converged after 9 iterations. iteration 498: trace = 2.65386095696949 (4.55642e-10% change) linmin: converged after 9 iterations. iteration 499: trace = 2.653860956964063 (2.04503e-10% change) large trace change predicted (5.82409e-10%) linmin: converged after 3 iterations. iteration 500: trace = 2.653860956948609 (5.82316e-10% change) linmin: converged after 2 iterations. iteration 501: trace = 2.653860956942851 (2.16952e-10% change) linmin: converged after 3 iterations. iteration 502: trace = 2.653860956932339 (3.96103e-10% change) linmin: converged after 2 iterations. iteration 503: trace = 2.653860956920813 (4.34323e-10% change) linmin: converged after 3 iterations. iteration 504: trace = 2.653860956917655 (1.18977e-10% change) large trace change predicted (3.26651e-10%) linmin: converged after 2 iterations. iteration 505: trace = 2.653860956908983 (3.26792e-10% change) linmin: converged after 3 iterations. iteration 506: trace = 2.653860956902382 (2.48713e-10% change) linmin: converged after 5 iterations. iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 3.883124589920044 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767192045163025 (3.67887% change) linmin: converged after 12 iterations. iteration 2: trace = 2.669057380357486 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626109110742 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397560818022 (0.547987% change) linmin: converged after 5 iterations. iteration 5: trace = 2.564425789247123 (0.969058% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271003184409 (0.0840614% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519452644537 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.5533812062184 (0.161938% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758159301232 (0.0635848% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676145701263 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042257271972 (0.0641279% change) linmin: converged after 5 iterations. iteration 12: trace = 2.545109407132459 (0.0759149% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744874672027 (0.0536283% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493569722713 (0.00987982% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654865255261 (0.0329799% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233437169567 (0.0165757% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989490215497 (0.00959623% change) large trace change predicted (0.0296917%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222886559927 (0.0301622% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916754194661 (0.0120474% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420138084658 (0.0195467% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069646846972 (0.0137975% change) linmin: converged after 4 iterations. iteration 22: trace = 2.53991319211357 (0.00615966% change) large trace change predicted (0.0132667%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574241822349 (0.0133458% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320168380693 (0.0100051% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190156451761 (0.00512008% change) large trace change predicted (0.0109149%) linmin: converged after 3 iterations. iteration 26: trace = 2.538912105880391 (0.010951% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826558903819 (0.00336949% change) large trace change predicted (0.00728293%) linmin: converged after 5 iterations. iteration 28: trace = 2.538640922020423 (0.00731218% change) linmin: converged after 4 iterations. iteration 29: trace = 2.538416115055694 (0.0088558% change) linmin: converged after 5 iterations. iteration 30: trace = 2.538329681714421 (0.00340507% change) large trace change predicted (0.0126404%) linmin: converged after 4 iterations. iteration 31: trace = 2.538007652449731 (0.0126875% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917254792359 (0.00356182% change) large trace change predicted (0.0118588%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615514542672 (0.01189% change) linmin: converged after 3 iterations. iteration 34: trace = 2.53744664420911 (0.00665491% change) linmin: converged after 4 iterations. iteration 35: trace = 2.537337487891875 (0.00430191% change) large trace change predicted (0.0106116%) linmin: converged after 6 iterations. iteration 36: trace = 2.537068033653169 (0.0106201% change) linmin: converged after 3 iterations. iteration 37: trace = 2.53699943464511 (0.00270391% change) large trace change predicted (0.0111009%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717394141688 (0.0111177% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633734665125 (0.003298% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477822463409 (0.00614661% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329218818773 (0.00585883% change) linmin: converged after 3 iterations. iteration 42: trace = 2.53615020102548 (0.00705839% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989255703162 (0.00634625% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865706424353 (0.00487196% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703192587326 (0.00640882% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652227616092 (0.00200992% change) large trace change predicted (0.00754028%) linmin: converged after 3 iterations. iteration 47: trace = 2.53546107910786 (0.00753872% change) linmin: converged after 3 iterations. iteration 48: trace = 2.535421748870608 (0.00155122% change) large trace change predicted (0.00506183%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293468493803 (0.00505966% change) linmin: converged after 4 iterations. iteration 50: trace = 2.535212823182918 (0.00318096% change) linmin: converged after 9 iterations. iteration 51: trace = 2.535125064719677 (0.00346164% change) linmin: converged after 4 iterations. iteration 52: trace = 2.5349509031445 (0.00687018% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873114315107 (0.0030687% change) large trace change predicted (0.00863851%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655262783688 (0.00859455% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598374640847 (0.00224444% change) large trace change predicted (0.00574966%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453143671912 (0.0057301% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390112619761 (0.002487% change) linmin: converged after 5 iterations. iteration 58: trace = 2.534330756155766 (0.00234207% change) linmin: converged after 4 iterations. iteration 59: trace = 2.534233966213133 (0.00381922% change) linmin: converged after 3 iterations. iteration 60: trace = 2.534207675681939 (0.00103742% change) large trace change predicted (0.0030975%) linmin: converged after 6 iterations. iteration 61: trace = 2.534129221285733 (0.00309586% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095670360006 (0.00132397% change) large trace change predicted (0.00285535%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023378172555 (0.00285282% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533958013125194 (0.00257953% change) linmin: converged after 3 iterations. iteration 65: trace = 2.533883392389698 (0.00294487% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772608404004 (0.0043722% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730667933859 (0.00165527% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365915475089 (0.00282249% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617380418967 (0.00164879% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588522803026 (0.001139% change) linmin: converged after 5 iterations. iteration 71: trace = 2.533564665548087 (0.000941643% change) linmin: converged after 6 iterations. iteration 72: trace = 2.533539618364233 (0.000988619% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522906468145 (0.000659629% change) large trace change predicted (0.00183841%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476249005274 (0.00184162% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464174381763 (0.000476604% change) large trace change predicted (0.00275226%) linmin: converged after 5 iterations. iteration 76: trace = 2.533394202119549 (0.00276196% change) linmin: converged after 10 iterations. iteration 77: trace = 2.533360209152475 (0.0013418% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332274267103 (0.00110269% change) large trace change predicted (0.00246268%) linmin: converged after 4 iterations. iteration 79: trace = 2.533269609255164 (0.00247365% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217623027478 (0.00205216% change) linmin: converged after 4 iterations. iteration 81: trace = 2.533191364656076 (0.00103657% change) large trace change predicted (0.00237285%) linmin: converged after 6 iterations. iteration 82: trace = 2.533131006388617 (0.00238273% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533113008962917 (0.000710484% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088875728426 (0.000952715% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060210964731 (0.00113162% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052336070403 (0.000310885% change) large trace change predicted (0.000754712%) linmin: converged after 3 iterations. iteration 87: trace = 2.53303320837675 (0.000755127% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014413116766 (0.000742009% change) linmin: converged after 4 iterations. iteration 89: trace = 2.53300139548469 (0.00051392% change) linmin: converged after 4 iterations. iteration 90: trace = 2.53297623352843 (0.00099337% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972382311616 (0.000152043% change) large trace change predicted (0.000749633%) linmin: converged after 6 iterations. iteration 92: trace = 2.532953408161689 (0.000749089% change) linmin: converged after 4 iterations. iteration 93: trace = 2.532934947778483 (0.000728811% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926920734985 (0.000316907% change) large trace change predicted (0.00178259%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881948782389 (0.00177551% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858314027711 (0.000933121% change) linmin: converged after 3 iterations. iteration 97: trace = 2.532819821785889 (0.00151973% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786169467268 (0.00132866% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774323054985 (0.000467724% change) large trace change predicted (0.00101699%) linmin: converged after 5 iterations. iteration 100: trace = 2.532748610017113 (0.00101522% change) linmin: converged after 10 iterations. iteration 101: trace = 2.532735591407811 (0.000514012% change) linmin: converged after 6 iterations. iteration 102: trace = 2.53272596494108 (0.000380083% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712960913022 (0.000513441% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704595744002 (0.000330285% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697442671518 (0.000282429% change) large trace change predicted (0.000634618%) linmin: converged after 3 iterations. iteration 106: trace = 2.532681377273767 (0.000634322% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678264492637 (0.000122905% change) large trace change predicted (0.000365881%) linmin: converged after 3 iterations. iteration 108: trace = 2.53266899969015 (0.000365811% change) linmin: converged after 3 iterations. iteration 109: trace = 2.53266259492811 (0.000252886% change) linmin: converged after 7 iterations. iteration 110: trace = 2.532659614140498 (0.000117694% change) large trace change predicted (0.00048464%) linmin: converged after 4 iterations. iteration 111: trace = 2.532647336020611 (0.000484793% change) linmin: converged after 5 iterations. iteration 112: trace = 2.532643035903972 (0.000169788% change) large trace change predicted (0.00119129%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612846800416 (0.00119201% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592063234743 (0.000820641% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581469721721 (0.000418288% change) large trace change predicted (0.00102424%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555499922985 (0.00102543% change) linmin: converged after 6 iterations. iteration 117: trace = 2.532535056413251 (0.000807232% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524469432566 (0.00041804% change) large trace change predicted (0.000840288%) linmin: converged after 3 iterations. iteration 119: trace = 2.532503184848721 (0.000840453% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499366164758 (0.000150787% change) large trace change predicted (0.00042853%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488511531764 (0.000428614% change) linmin: converged after 4 iterations. iteration 122: trace = 2.532482095951782 (0.000253331% change) linmin: converged after 4 iterations. iteration 123: trace = 2.532479992867226 (8.30444e-05% change) large trace change predicted (0.000283731%) linmin: converged after 3 iterations. iteration 124: trace = 2.53247280384149 (0.000283873% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467484148865 (0.000210059% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465651311215 (7.23736e-05% change) large trace change predicted (0.000445416%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454353763157 (0.00044611% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452272749749 (8.21738e-05% change) large trace change predicted (0.000327514%) linmin: converged after 3 iterations. iteration 129: trace = 2.532443972834015 (0.000327743% change) linmin: converged after 4 iterations. iteration 130: trace = 2.532434385947424 (0.000378563% change) linmin: converged after 3 iterations. iteration 131: trace = 2.53243172126282 (0.000105222% change) large trace change predicted (0.00050799%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418839054643 (0.000508691% change) linmin: converged after 4 iterations. iteration 133: trace = 2.532413400841182 (0.000214744% change) large trace change predicted (0.000485106%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401111138083 (0.000485297% change) linmin: converged after 5 iterations. iteration 135: trace = 2.532386155966053 (0.000590555% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381543521632 (0.000182138% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372871851896 (0.000342432% change) linmin: converged after 3 iterations. iteration 138: trace = 2.532367991177046 (0.000192731% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366691649195 (5.13167e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.532365682102617 (3.98657e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.532363841843478 (7.26696e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361033830604 (0.000110885% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359827253318 (4.76463e-05% change) large trace change predicted (0.000180915%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355246384728 (0.000180893% change) linmin: converged after 3 iterations. iteration 145: trace = 2.532352431420141 (0.00011116% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349386068224 (0.000120258% change) linmin: converged after 3 iterations. iteration 147: trace = 2.532343690244271 (0.000224923% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342311997953 (5.44257e-05% change) large trace change predicted (0.000211673%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336953495586 (0.000211603% change) linmin: converged after 3 iterations. iteration 150: trace = 2.532333398748359 (0.000140374% change) linmin: converged after 3 iterations. iteration 151: trace = 2.53233206340305 (5.27318e-05% change) large trace change predicted (0.000151583%) linmin: converged after 4 iterations. iteration 152: trace = 2.532328227235385 (0.000151488% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325504192802 (0.000107531% change) linmin: converged after 9 iterations. iteration 154: trace = 2.532323601371002 (7.51413e-05% change) linmin: converged after 10 iterations. iteration 155: trace = 2.532320459830568 (0.000124058% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319680363335 (3.07808e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.532318510691772 (4.61897e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316950800764 (6.15993e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.532316545711181 (1.59968e-05% change) large trace change predicted (5.19803e-05%) linmin: converged after 4 iterations. iteration 160: trace = 2.532315229303383 (5.19843e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.532314312430767 (3.62069e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.532313519350129 (3.13184e-05% change) large trace change predicted (8.52185e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311361450239 (8.52146e-05% change) linmin: converged after 8 iterations. iteration 164: trace = 2.532309906699845 (5.74475e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308444593908 (5.7738e-05% change) large trace change predicted (0.000170452%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304127446988 (0.000170483% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303102007244 (4.04943e-05% change) large trace change predicted (0.000115221%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300183750544 (0.000115241% change) linmin: converged after 4 iterations. iteration 169: trace = 2.532297899414583 (9.0208e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297160907362 (2.91635e-05% change) large trace change predicted (6.51906e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295510443508 (6.51766e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532292974814544 (0.000100132% change) linmin: converged after 4 iterations. iteration 173: trace = 2.532292310079173 (2.62503e-05% change) large trace change predicted (8.53907e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.532290147413309 (8.54035e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289313308759 (3.29387e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.532288395005148 (3.62638e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287611764696 (3.09301e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287300796842 (1.22801e-05% change) large trace change predicted (3.85796e-05%) linmin: converged after 4 iterations. iteration 179: trace = 2.532286323773537 (3.85826e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.532284993557319 (5.25303e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284483095969 (2.01581e-05% change) large trace change predicted (0.000118579%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281477154776 (0.000118705% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532278647823394 (0.000111731% change) linmin: converged after 4 iterations. iteration 184: trace = 2.532277674018113 (3.84557e-05% change) large trace change predicted (0.000116096%) linmin: converged after 5 iterations. iteration 185: trace = 2.532274728164526 (0.000116332% change) linmin: converged after 4 iterations. iteration 186: trace = 2.53227327613244 (5.7341e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.532271512129673 (6.96609e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532268544221009 (0.000117203% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532267980604649 (2.22574e-05% change) large trace change predicted (0.000102166%) linmin: converged after 3 iterations. iteration 190: trace = 2.532265393040538 (0.000102184% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264296108059 (4.33182e-05% change) linmin: converged after 4 iterations. iteration 192: trace = 2.532263413125831 (3.48693e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262357948994 (4.16693e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532261780449685 (2.28057e-05% change) linmin: converged after 6 iterations. iteration 195: trace = 2.532260921097122 (3.39362e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.532259374117901 (6.10908e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.532259063480756 (1.22672e-05% change) large trace change predicted (5.51749e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.532257666917385 (5.51509e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.532256854302601 (3.20905e-05% change) linmin: converged after 8 iterations. iteration 200: trace = 2.532256077019117 (3.06953e-05% change) large trace change predicted (6.61116e-05%) linmin: converged after 10 iterations. iteration 201: trace = 2.532254404190157 (6.60608e-05% change) linmin: converged after 8 iterations. iteration 202: trace = 2.532253700674978 (2.77822e-05% change) large trace change predicted (6.65527e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.53225201639963 (6.65129e-05% change) linmin: converged after 5 iterations. iteration 204: trace = 2.532249373106495 (0.000104385% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532248947067088 (1.68245e-05% change) large trace change predicted (6.09808e-05%) linmin: converged after 5 iterations. iteration 206: trace = 2.532247404156568 (6.09305e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532246626059952 (3.07275e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246396263067 (9.07482e-06% change) large trace change predicted (4.58302e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.532245235961194 (4.58211e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.532245059590031 (6.96501e-06% change) large trace change predicted (1.75892e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244614143417 (1.7591e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244332059582 (1.11397e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.532243961673777 (1.46268e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243393266938 (2.24468e-05% change) linmin: converged after 6 iterations. iteration 215: trace = 2.532243012965021 (1.50184e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.532242407793118 (2.38987e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532241470456622 (3.70161e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.532241258807642 (8.35817e-06% change) large trace change predicted (3.25093e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.532240435246127 (3.2523e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532239921315042 (2.02955e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239613290589 (1.21641e-05% change) large trace change predicted (2.80455e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.532238902788354 (2.80583e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238422859413 (1.89528e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.532238105502279 (1.25327e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237512758263 (2.34079e-05% change) linmin: converged after 9 iterations. iteration 226: trace = 2.532237422475582 (3.56533e-06% change) large trace change predicted (1.22361e-05%) linmin: converged after 2 iterations. iteration 227: trace = 2.532237112625669 (1.22362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532236922691033 (7.50067e-06% change) linmin: converged after 5 iterations. iteration 229: trace = 2.53223683133392 (3.60776e-06% change) large trace change predicted (1.4599e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.5322364616746 (1.45981e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.532236386820632 (2.95604e-06% change) large trace change predicted (1.50446e-05%) linmin: converged after 4 iterations. iteration 232: trace = 2.532236005902005 (1.50428e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.532235567443446 (1.73151e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.532235324936102 (9.57681e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.532235061093175 (1.04194e-05% change) large trace change predicted (2.33799e-05%) linmin: converged after 9 iterations. iteration 236: trace = 2.532234469416107 (2.33658e-05% change) linmin: converged after 6 iterations. iteration 237: trace = 2.532234292981712 (6.96754e-06% change) large trace change predicted (1.92204e-05%) linmin: converged after 7 iterations. iteration 238: trace = 2.532233806503822 (1.92114e-05% change) linmin: converged after 13 iterations. iteration 239: trace = 2.532233567780011 (9.4274e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233518761116 (1.9358e-06% change) large trace change predicted (7.97524e-06%) linmin: converged after 4 iterations. iteration 241: trace = 2.532233316834005 (7.97427e-06% change) linmin: converged after 8 iterations. iteration 242: trace = 2.53223322602904 (3.58596e-06% change) linmin: converged after 6 iterations. iteration 243: trace = 2.532233139352723 (3.42292e-06% change) linmin: converged after 4 iterations. iteration 244: trace = 2.532232981391485 (6.23802e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.532232941782683 (1.56418e-06% change) large trace change predicted (5.80942e-06%) linmin: converged after 8 iterations. iteration 246: trace = 2.532232794675251 (5.8094e-06% change) linmin: converged after 2 iterations. iteration 247: trace = 2.532232655634834 (5.49082e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.53223260224804 (2.10829e-06% change) large trace change predicted (4.67847e-06%) linmin: converged after 4 iterations. iteration 249: trace = 2.532232483784177 (4.67824e-06% change) linmin: converged after 5 iterations. iteration 250: trace = 2.532232362957225 (4.77156e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.532232303957449 (2.32995e-06% change) large trace change predicted (1.13682e-05%) linmin: converged after 5 iterations. iteration 252: trace = 2.5322320160995 (1.13678e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.532231912547643 (4.08935e-06% change) large trace change predicted (1.08339e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231638229019 (1.08331e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.532231403565604 (9.26706e-06% change) linmin: converged after 21 iterations. iteration 256: trace = 2.532231277094745 (4.99444e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.532231194338745 (3.26811e-06% change) linmin: converged after 13 iterations. iteration 258: trace = 2.532231046316252 (5.84554e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 2.532231016811047 (1.16519e-06% change) large trace change predicted (3.74982e-06%) linmin: converged after 4 iterations. iteration 260: trace = 2.532230921855036 (3.7499e-06% change) linmin: converged after 23 iterations. iteration 261: trace = 2.532230862689733 (2.33649e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.53223083873709 (9.45911e-07% change) large trace change predicted (3.12221e-06%) linmin: converged after 23 iterations. iteration 263: trace = 2.532230759671736 (3.12236e-06% change) linmin: converged after 15 iterations. iteration 264: trace = 2.532230696501678 (2.49464e-06% change) linmin: converged after 7 iterations. iteration 265: trace = 2.532230652826942 (1.72475e-06% change) large trace change predicted (5.88601e-06%) linmin: converged after 4 iterations. iteration 266: trace = 2.532230503763672 (5.88664e-06% change) linmin: converged after 5 iterations. iteration 267: trace = 2.532230416800177 (3.43426e-06% change) linmin: converged after 6 iterations. iteration 268: trace = 2.532230282776104 (5.29273e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.532230176448649 (4.19896e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230129390047 (1.85839e-06% change) large trace change predicted (5.01005e-06%) linmin: converged after 2 iterations. iteration 271: trace = 2.532230002519866 (5.01022e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.532229868163668 (5.30585e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229779225418 (3.51225e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.532229649583122 (5.11969e-06% change) linmin: converged after 11 iterations. iteration 275: trace = 2.532229621422921 (1.11207e-06% change) large trace change predicted (4.14646e-06%) linmin: converged after 9 iterations. iteration 276: trace = 2.532229516420666 (4.14663e-06% change) linmin: converged after 13 iterations. iteration 277: trace = 2.53222945506614 (2.42294e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.53222943390973 (8.35485e-07% change) large trace change predicted (2.24224e-06%) linmin: converged after 4 iterations. iteration 279: trace = 2.532229377130915 (2.24225e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.532229338167026 (1.53872e-06% change) linmin: converged after 16 iterations. iteration 281: trace = 2.532229324037591 (5.57984e-07% change) large trace change predicted (1.92946e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229275178154 (1.9295e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229224933658 (1.9842e-06% change) linmin: converged after 27 iterations. iteration 284: trace = 2.532229195756853 (1.15222e-06% change) large trace change predicted (3.43235e-06%) linmin: converged after 8 iterations. iteration 285: trace = 2.532229108837616 (3.43252e-06% change) linmin: converged after 8 iterations. iteration 286: trace = 2.532229070906173 (1.49795e-06% change) linmin: converged after 15 iterations. iteration 287: trace = 2.532229005434425 (2.58554e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.532228912261696 (3.67947e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228878857018 (1.31918e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.532228814352874 (2.54733e-06% change) linmin: converged after 11 iterations. iteration 291: trace = 2.532228759006485 (2.18568e-06% change) linmin: converged after 4 iterations. iteration 292: trace = 2.5322287287148 (1.19625e-06% change) large trace change predicted (2.94799e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228654071961 (2.94771e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228630826729 (9.17975e-07% change) large trace change predicted (2.12091e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.532228577125554 (2.12071e-06% change) linmin: converged after 10 iterations. iteration 296: trace = 2.532228551953613 (9.94063e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228539632578 (4.86569e-07% change) large trace change predicted (1.10488e-06%) linmin: converged after 4 iterations. iteration 298: trace = 2.532228511654962 (1.10486e-06% change) linmin: converged after 7 iterations. iteration 299: trace = 2.532228480410223 (1.23388e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.532228471096156 (3.67821e-07% change) large trace change predicted (1.74133e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.532228427004013 (1.74124e-06% change) linmin: converged after 7 iterations. iteration 302: trace = 2.532228385689038 (1.63157e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.532228360133651 (1.00921e-06% change) large trace change predicted (2.41428e-06%) linmin: converged after 7 iterations. iteration 304: trace = 2.532228299004506 (2.41405e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.532228261234704 (1.49156e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.53222820816014 (2.09596e-06% change) linmin: converged after 13 iterations. iteration 307: trace = 2.532228137110495 (2.80582e-06% change) linmin: converged after 6 iterations. iteration 308: trace = 2.532228114967864 (8.74433e-07% change) linmin: converged after 12 iterations. iteration 309: trace = 2.532228086783509 (1.11303e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.532228061682376 (9.91267e-07% change) linmin: converged after 18 iterations. iteration 311: trace = 2.532228031642422 (1.18631e-06% change) linmin: converged after 12 iterations. iteration 312: trace = 2.532228022868124 (3.46505e-07% change) large trace change predicted (1.6377e-06%) linmin: converged after 2 iterations. iteration 313: trace = 2.532227981397549 (1.63771e-06% change) linmin: converged after 7 iterations. iteration 314: trace = 2.532227972677866 (3.44348e-07% change) large trace change predicted (1.54265e-06%) linmin: converged after 9 iterations. iteration 315: trace = 2.532227933613569 (1.54268e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.532227901120616 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227888180187 (5.11029e-07% change) large trace change predicted (1.51822e-06%) linmin: converged after 10 iterations. iteration 318: trace = 2.532227849732482 (1.51834e-06% change) linmin: converged after 2 iterations. iteration 319: trace = 2.532227811599739 (1.5059e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227794595986 (6.71494e-07% change) large trace change predicted (2.84518e-06%) linmin: converged after 7 iterations. iteration 321: trace = 2.532227722540139 (2.84555e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.532227687567286 (1.38111e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.532227638964866 (1.91935e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.532227586592549 (2.06823e-06% change) linmin: converged after 12 iterations. iteration 325: trace = 2.53222757240693 (5.60203e-07% change) linmin: converged after 5 iterations. iteration 326: trace = 2.532227544172079 (1.11502e-06% change) linmin: converged after 2 iterations. iteration 327: trace = 2.532227512219513 (1.26184e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.532227505887205 (2.50069e-07% change) large trace change predicted (1.12493e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.53222747740137 (1.12493e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227469121269 (3.26989e-07% change) large trace change predicted (1.07819e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.532227441820332 (1.07814e-06% change) linmin: converged after 5 iterations. iteration 332: trace = 2.532227419392461 (8.85697e-07% change) linmin: converged after 5 iterations. iteration 333: trace = 2.532227407145195 (4.83656e-07% change) large trace change predicted (1.26341e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227375155252 (1.26331e-06% change) linmin: converged after 7 iterations. iteration 335: trace = 2.532227321498544 (2.11895e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.53222730016528 (8.4247e-07% change) large trace change predicted (2.31631e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.53222724152096 (2.31592e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.532227214136874 (1.08142e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.532227203806219 (4.07967e-07% change) large trace change predicted (1.28324e-06%) linmin: converged after 4 iterations. iteration 340: trace = 2.532227171313901 (1.28315e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.53222714214733 (1.15181e-06% change) linmin: converged after 11 iterations. iteration 342: trace = 2.532227132986993 (3.6175e-07% change) large trace change predicted (9.37405e-07%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227109250781 (9.37365e-07% change) linmin: converged after 10 iterations. iteration 344: trace = 2.53222710170186 (2.98114e-07% change) large trace change predicted (6.41566e-07%) linmin: converged after 5 iterations. iteration 345: trace = 2.53222708545657 (6.41542e-07% change) linmin: converged after 4 iterations. iteration 346: trace = 2.532227074749795 (4.2282e-07% change) linmin: converged after 25 iterations. iteration 347: trace = 2.532227070120145 (1.82829e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227061347484 (3.46441e-07% change) large trace change predicted (7.25133e-07%) linmin: converged after 10 iterations. iteration 349: trace = 2.532227042985584 (7.25129e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.532227032001265 (4.33781e-07% change) linmin: converged after 4 iterations. iteration 351: trace = 2.532227021355288 (4.2042e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227018528629 (1.11627e-07% change) large trace change predicted (3.55816e-07%) linmin: converged after 5 iterations. iteration 353: trace = 2.532227009518536 (3.55817e-07% change) linmin: converged after 3 iterations. iteration 354: trace = 2.532227000110098 (3.71548e-07% change) linmin: converged after 16 iterations. iteration 355: trace = 2.532226996894193 (1.26999e-07% change) large trace change predicted (6.59201e-07%) linmin: converged after 4 iterations. iteration 356: trace = 2.532226980201057 (6.59227e-07% change) linmin: converged after 12 iterations. iteration 357: trace = 2.532226970981009 (3.64108e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226956224377 (5.82753e-07% change) linmin: converged after 10 iterations. iteration 359: trace = 2.532226940921706 (6.04317e-07% change) linmin: converged after 32 iterations. iteration 360: trace = 2.532226934325832 (2.60477e-07% change) large trace change predicted (5.71701e-07%) linmin: converged after 5 iterations. iteration 361: trace = 2.532226919848491 (5.71724e-07% change) linmin: converged after 6 iterations. iteration 362: trace = 2.532226899529127 (8.02431e-07% change) linmin: converged after 16 iterations. iteration 363: trace = 2.532226894115271 (2.13798e-07% change) large trace change predicted (6.38737e-07%) linmin: converged after 5 iterations. iteration 364: trace = 2.532226877940186 (6.38769e-07% change) linmin: converged after 5 iterations. iteration 365: trace = 2.532226862932139 (5.92682e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226859516136 (1.34901e-07% change) large trace change predicted (2.92625e-07%) linmin: converged after 14 iterations. iteration 367: trace = 2.532226852106154 (2.92627e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.532226845206031 (2.72492e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226842625343 (1.01914e-07% change) large trace change predicted (3.14336e-07%) linmin: converged after 4 iterations. iteration 370: trace = 2.532226834665654 (3.14336e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683284111 (7.20529e-08% change) large trace change predicted (2.86443e-07%) linmin: converged after 8 iterations. iteration 372: trace = 2.532226825587834 (2.86439e-07% change) linmin: converged after 11 iterations. iteration 373: trace = 2.532226819859058 (2.26235e-07% change) linmin: converged after 5 iterations. iteration 374: trace = 2.532226817278717 (1.019e-07% change) large trace change predicted (2.88992e-07%) linmin: converged after 6 iterations. iteration 375: trace = 2.532226809961338 (2.8897e-07% change) linmin: converged after 6 iterations. iteration 376: trace = 2.53222679694146 (5.14167e-07% change) linmin: converged after 19 iterations. iteration 377: trace = 2.532226794085944 (1.12767e-07% change) large trace change predicted (4.27732e-07%) linmin: converged after 6 iterations. iteration 378: trace = 2.532226783255718 (4.27696e-07% change) linmin: converged after 5 iterations. iteration 379: trace = 2.532226775828084 (2.93324e-07% change) linmin: converged after 6 iterations. iteration 380: trace = 2.532226773880708 (7.69037e-08% change) large trace change predicted (2.20078e-07%) linmin: converged after 6 iterations. iteration 381: trace = 2.532226768308129 (2.20066e-07% change) linmin: converged after 5 iterations. iteration 382: trace = 2.532226763443181 (1.92121e-07% change) linmin: converged after 5 iterations. iteration 383: trace = 2.532226761972826 (5.80657e-08% change) large trace change predicted (2.03208e-07%) linmin: converged after 11 iterations. iteration 384: trace = 2.532226756827222 (2.03205e-07% change) linmin: converged after 11 iterations. iteration 385: trace = 2.532226754726477 (8.29604e-08% change) linmin: converged after 6 iterations. iteration 386: trace = 2.532226751171404 (1.40393e-07% change) linmin: converged after 7 iterations. iteration 387: trace = 2.532226747795115 (1.33333e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226746356977 (5.67934e-08% change) linmin: converged after 9 iterations. iteration 389: trace = 2.532226743561327 (1.10403e-07% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226740212651 (1.32242e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226738455964 (6.93732e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.532226734979242 (1.37299e-07% change) linmin: converged after 14 iterations. iteration 393: trace = 2.532226728569906 (2.53111e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226726927974 (6.48414e-08% change) large trace change predicted (2.02333e-07%) linmin: converged after 21 iterations. iteration 395: trace = 2.532226721804354 (2.02337e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.532226717861316 (1.55714e-07% change) linmin: converged after 8 iterations. iteration 397: trace = 2.532226716535644 (5.2352e-08% change) large trace change predicted (1.60282e-07%) linmin: converged after 13 iterations. iteration 398: trace = 2.532226712476868 (1.60285e-07% change) linmin: converged after 16 iterations. iteration 399: trace = 2.532226711430153 (4.13358e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226709548159 (7.43217e-08% change) linmin: converged after 6 iterations. iteration 401: trace = 2.532226707623194 (7.60186e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.53222670718206 (1.74208e-08% change) large trace change predicted (7.92241e-08%) linmin: converged after 8 iterations. iteration 403: trace = 2.532226705175908 (7.92248e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.53222670431038 (3.41805e-08% change) linmin: converged after 12 iterations. iteration 405: trace = 2.532226702841314 (5.80148e-08% change) linmin: converged after 18 iterations. iteration 406: trace = 2.532226699971066 (1.13349e-07% change) linmin: converged after 5 iterations. iteration 407: trace = 2.532226697493734 (9.78321e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.532226695648335 (7.28766e-08% change) linmin: converged after 18 iterations. iteration 409: trace = 2.532226692201912 (1.36102e-07% change) linmin: converged after 19 iterations. iteration 410: trace = 2.53222668985198 (9.2801e-08% change) linmin: converged after 6 iterations. iteration 411: trace = 2.532226688485163 (5.39769e-08% change) large trace change predicted (1.39517e-07%) linmin: converged after 7 iterations. iteration 412: trace = 2.53222668495223 (1.39519e-07% change) linmin: converged after 4 iterations. iteration 413: trace = 2.532226684026071 (3.65749e-08% change) large trace change predicted (9.8508e-08%) linmin: converged after 13 iterations. iteration 414: trace = 2.532226681531623 (9.85081e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.532226679072552 (9.7111e-08% change) linmin: converged after 6 iterations. iteration 416: trace = 2.532226678266132 (3.18463e-08% change) large trace change predicted (7.32302e-08%) linmin: converged after 3 iterations. iteration 417: trace = 2.532226676411776 (7.32302e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.532226675930684 (1.89988e-08% change) linmin: converged after 5 iterations. iteration 419: trace = 2.532226675114865 (3.22175e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226674520886 (2.34568e-08% change) linmin: converged after 5 iterations. iteration 421: trace = 2.532226674207967 (1.23575e-08% change) large trace change predicted (5.96327e-08%) linmin: converged after 25 iterations. iteration 422: trace = 2.532226672697918 (5.96332e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.53222667203163 (2.63124e-08% change) large trace change predicted (6.96583e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.532226670267724 (6.96583e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226668480772 (7.05684e-08% change) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667866964 (2.42398e-08% change) large trace change predicted (8.3148e-08%) linmin: converged after 4 iterations. iteration 427: trace = 2.532226665761488 (8.31472e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226664557271 (4.75556e-08% change) linmin: converged after 5 iterations. iteration 429: trace = 2.532226663045557 (5.9699e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226661052858 (7.86935e-08% change) linmin: converged after 4 iterations. iteration 431: trace = 2.532226659598508 (5.74337e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226658669453 (3.66893e-08% change) linmin: converged after 24 iterations. iteration 433: trace = 2.532226657248406 (5.61185e-08% change) linmin: converged after 14 iterations. iteration 434: trace = 2.532226656699661 (2.16705e-08% change) linmin: converged after 2 iterations. iteration 435: trace = 2.532226655867938 (3.28455e-08% change) linmin: converged after 5 iterations. iteration 436: trace = 2.532226655024534 (3.33068e-08% change) linmin: converged after 19 iterations. iteration 437: trace = 2.532226654853085 (6.77068e-09% change) large trace change predicted (3.93645e-08%) linmin: converged after 4 iterations. iteration 438: trace = 2.532226653856296 (3.93641e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.53222665306298 (3.13288e-08% change) linmin: converged after 21 iterations. iteration 440: trace = 2.53222665265887 (1.59587e-08% change) large trace change predicted (3.73354e-08%) linmin: converged after 19 iterations. iteration 441: trace = 2.532226651713459 (3.73352e-08% change) linmin: converged after 6 iterations. iteration 442: trace = 2.532226650865377 (3.34915e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.53222664982967 (4.0901e-08% change) linmin: converged after 4 iterations. iteration 444: trace = 2.5322266477675 (8.1437e-08% change) linmin: converged after 20 iterations. iteration 445: trace = 2.532226646830583 (3.69997e-08% change) linmin: converged after 6 iterations. iteration 446: trace = 2.532226645266039 (6.17853e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.532226643783507 (5.85466e-08% change) linmin: converged after 6 iterations. iteration 448: trace = 2.532226643465906 (1.25423e-08% change) large trace change predicted (3.35446e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642616482 (3.35446e-08% change) linmin: converged after 5 iterations. iteration 450: trace = 2.532226641792593 (3.25361e-08% change) linmin: converged after 15 iterations. iteration 451: trace = 2.532226640759845 (4.07842e-08% change) linmin: converged after 14 iterations. iteration 452: trace = 2.532226640549357 (8.31239e-09% change) large trace change predicted (4.66452e-08%) linmin: converged after 4 iterations. iteration 453: trace = 2.532226639368196 (4.66451e-08% change) linmin: converged after 18 iterations. iteration 454: trace = 2.532226639072773 (1.16666e-08% change) large trace change predicted (3.52873e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638179224 (3.52871e-08% change) linmin: converged after 5 iterations. iteration 456: trace = 2.532226637257508 (3.63994e-08% change) linmin: converged after 13 iterations. iteration 457: trace = 2.532226636962479 (1.1651e-08% change) large trace change predicted (5.34515e-08%) linmin: converged after 4 iterations. iteration 458: trace = 2.532226635608954 (5.3452e-08% change) linmin: converged after 4 iterations. iteration 459: trace = 2.532226634849473 (2.99926e-08% change) linmin: converged after 10 iterations. iteration 460: trace = 2.5322266339205 (3.6686e-08% change) linmin: converged after 7 iterations. iteration 461: trace = 2.532226632067301 (7.31845e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.53222663092042 (4.52914e-08% change) linmin: converged after 7 iterations. iteration 463: trace = 2.532226630252143 (2.63909e-08% change) linmin: converged after 4 iterations. iteration 464: trace = 2.53222662909794 (4.55806e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.53222662857571 (2.06233e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.532226628033396 (2.14165e-08% change) linmin: converged after 18 iterations. iteration 467: trace = 2.532226627130709 (3.56479e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226626986287 (5.70337e-09% change) large trace change predicted (2.75595e-08%) linmin: converged after 12 iterations. iteration 469: trace = 2.532226626288405 (2.756e-08% change) linmin: converged after 18 iterations. iteration 470: trace = 2.532226625924587 (1.43675e-08% change) linmin: converged after 10 iterations. iteration 471: trace = 2.532226625614535 (1.22443e-08% change) large trace change predicted (2.89043e-08%) linmin: converged after 24 iterations. iteration 472: trace = 2.532226624882627 (2.89037e-08% change) linmin: converged after 6 iterations. iteration 473: trace = 2.532226624645749 (9.3545e-09% change) large trace change predicted (3.92612e-08%) linmin: converged after 7 iterations. iteration 474: trace = 2.53222662365157 (3.92611e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622203749 (5.71758e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226621786479 (1.64784e-08% change) large trace change predicted (3.44614e-08%) linmin: converged after 11 iterations. iteration 477: trace = 2.532226620913853 (3.44608e-08% change) linmin: converged after 10 iterations. iteration 478: trace = 2.532226620129062 (3.09921e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.532226619389769 (2.91954e-08% change) linmin: converged after 7 iterations. iteration 480: trace = 2.532226619121213 (1.06055e-08% change) large trace change predicted (3.13229e-08%) linmin: converged after 8 iterations. iteration 481: trace = 2.532226618328066 (3.13221e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618071341 (1.01383e-08% change) large trace change predicted (2.20549e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226617512868 (2.20546e-08% change) linmin: converged after 28 iterations. iteration 484: trace = 2.532226617158118 (1.40094e-08% change) linmin: converged after 15 iterations. iteration 485: trace = 2.532226616990453 (6.62123e-09% change) linmin: converged after 4 iterations. iteration 486: trace = 2.532226616740968 (9.85241e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226616452942 (1.13744e-08% change) linmin: converged after 24 iterations. iteration 488: trace = 2.532226616350514 (4.04497e-09% change) large trace change predicted (6.3693e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.532226614737656 (6.36932e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226614356043 (1.50703e-08% change) linmin: converged after 8 iterations. iteration 491: trace = 2.532226613708098 (2.5588e-08% change) linmin: converged after 12 iterations. iteration 492: trace = 2.532226613481639 (8.94305e-09% change) linmin: converged after 18 iterations. iteration 493: trace = 2.532226613390855 (3.58517e-09% change) large trace change predicted (1.11045e-08%) linmin: converged after 4 iterations. iteration 494: trace = 2.53222661310966 (1.11046e-08% change) linmin: converged after 9 iterations. iteration 495: trace = 2.532226612978538 (5.17814e-09% change) linmin: converged after 19 iterations. iteration 496: trace = 2.532226612818014 (6.33924e-09% change) linmin: converged after 10 iterations. iteration 497: trace = 2.532226612499707 (1.25702e-08% change) linmin: converged after 15 iterations. iteration 498: trace = 2.532226612400562 (3.91533e-09% change) large trace change predicted (7.90845e-09%) linmin: converged after 8 iterations. iteration 499: trace = 2.532226612200308 (7.90822e-09% change) linmin: converged after 4 iterations. iteration 500: trace = 2.53222661183032 (1.46112e-08% change) linmin: converged after 28 iterations. iteration 501: trace = 2.532226611735656 (3.73838e-09% change) large trace change predicted (1.68449e-08%) linmin: converged after 8 iterations. iteration 502: trace = 2.532226611309096 (1.68452e-08% change) linmin: converged after 7 iterations. iteration 503: trace = 2.532226611086553 (8.78841e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226610879799 (8.16492e-09% change) linmin: converged after 4 iterations. iteration 505: trace = 2.532226610487903 (1.54764e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.532226610342944 (5.72457e-09% change) linmin: converged after 7 iterations. iteration 507: trace = 2.532226610129535 (8.42773e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.532226609834197 (1.16631e-08% change) linmin: converged after 4 iterations. iteration 509: trace = 2.532226609773988 (2.37772e-09% change) large trace change predicted (8.23506e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.53222660956545 (8.23536e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.532226609408117 (6.21326e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.53222660933298 (2.96722e-09% change) linmin: converged after 2 iterations. iteration 513: trace = 2.532226609216779 (4.58888e-09% change) linmin: converged after 10 iterations. iteration 514: trace = 2.532226609064996 (5.99405e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.532226609028991 (1.42187e-09% change) large trace change predicted (7.63343e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226608835697 (7.63335e-09% change) linmin: converged after 5 iterations. iteration 517: trace = 2.532226608740671 (3.75267e-09% change) linmin: converged after 5 iterations. iteration 518: trace = 2.532226608638877 (4.01993e-09% change) large trace change predicted (9.54797e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608397102 (9.54792e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608167098 (9.08309e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608041733 (4.95077e-09% change) linmin: converged after 5 iterations. iteration 522: trace = 2.53222660792103 (4.76667e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226607757263 (6.4673e-09% change) linmin: converged after 5 iterations. iteration 524: trace = 2.53222660773012 (1.07191e-09% change) large trace change predicted (5.23063e-09%) linmin: converged after 13 iterations. iteration 525: trace = 2.532226607597675 (5.23038e-09% change) linmin: converged after 4 iterations. iteration 526: trace = 2.532226607534311 (2.50229e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.532226607480542 (2.12341e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607400952 (3.14309e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607343637 (2.26341e-09% change) linmin: converged after 3 iterations. iteration 530: trace = 2.532226607300956 (1.68553e-09% change) linmin: converged after 15 iterations. iteration 531: trace = 2.532226607228981 (2.84237e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.532226607211765 (6.79841e-10% change) large trace change predicted (3.69043e-09%) linmin: converged after 15 iterations. iteration 533: trace = 2.532226607118313 (3.69054e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607036424 (3.23386e-09% change) linmin: converged after 4 iterations. iteration 535: trace = 2.532226606999509 (1.45782e-09% change) large trace change predicted (5.07904e-09%) linmin: converged after 2 iterations. iteration 536: trace = 2.532226606870895 (5.07905e-09% change) linmin: converged after 8 iterations. iteration 537: trace = 2.532226606759332 (4.40575e-09% change) linmin: converged after 9 iterations. iteration 538: trace = 2.532226606732932 (1.04257e-09% change) large trace change predicted (3.51654e-09%) linmin: converged after 24 iterations. iteration 539: trace = 2.53222660664388 (3.51674e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226606579878 (2.5275e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606566752 (5.18356e-10% change) large trace change predicted (1.66753e-09%) linmin: converged after 4 iterations. iteration 542: trace = 2.532226606524528 (1.66743e-09% change) linmin: converged after 24 iterations. iteration 543: trace = 2.532226606503792 (8.18914e-10% change) linmin: converged after 9 iterations. iteration 544: trace = 2.53222660648796 (6.25194e-10% change) large trace change predicted (1.9985e-09%) linmin: converged after 17 iterations. iteration 545: trace = 2.53222660643734 (1.99906e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.532226606428637 (3.43682e-10% change) large trace change predicted (1.91697e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606380086 (1.9173e-09% change) linmin: converged after 4 iterations. iteration 548: trace = 2.532226606316409 (2.51468e-09% change) linmin: converged after 22 iterations. iteration 549: trace = 2.532226606270019 (1.83198e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606238847 (1.23101e-09% change) large trace change predicted (3.38359e-09%) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606153159 (3.38388e-09% change) linmin: converged after 21 iterations. iteration 552: trace = 2.532226606112784 (1.59444e-09% change) linmin: converged after 8 iterations. iteration 553: trace = 2.532226606078401 (1.35782e-09% change) linmin: converged after 17 iterations. iteration 554: trace = 2.532226606014963 (2.50523e-09% change) linmin: converged after 5 iterations. iteration 555: trace = 2.532226605994184 (8.2058e-10% change) linmin: converged after 22 iterations. iteration 556: trace = 2.532226605957052 (1.46638e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.532226605918465 (1.52383e-09% change) linmin: converged after 18 iterations. iteration 558: trace = 2.532226605910012 (3.33809e-10% change) large trace change predicted (1.30843e-09%) linmin: converged after 2 iterations. iteration 559: trace = 2.532226605876871 (1.30879e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.532226605863193 (5.40155e-10% change) linmin: converged after 4 iterations. iteration 561: trace = 2.53222660585212 (4.3728e-10% change) large trace change predicted (1.02576e-09%) linmin: converged after 4 iterations. iteration 562: trace = 2.532226605826152 (1.02551e-09% change) linmin: converged after 14 iterations. iteration 563: trace = 2.532226605814464 (4.61587e-10% change) large trace change predicted (9.7626e-10%) linmin: converged after 10 iterations. iteration 564: trace = 2.53222660578974 (9.76365e-10% change) linmin: converged after 5 iterations. iteration 565: trace = 2.532226605744299 (1.79451e-09% change) linmin: converged after 11 iterations. iteration 566: trace = 2.532226605734294 (3.95102e-10% change) large trace change predicted (2.04494e-09%) linmin: converged after 2 iterations. iteration 567: trace = 2.53222660568251 (2.04501e-09% change) linmin: converged after 12 iterations. iteration 568: trace = 2.532226605633589 (1.93193e-09% change) linmin: converged after 15 iterations. iteration 569: trace = 2.532226605613713 (7.84926e-10% change) large trace change predicted (1.75747e-09%) linmin: converged after 9 iterations. iteration 570: trace = 2.532226605569216 (1.7572e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605542166 (1.06824e-09% change) linmin: converged after 18 iterations. iteration 572: trace = 2.532226605527237 (5.89541e-10% change) large trace change predicted (1.24834e-09%) linmin: converged after 8 iterations. iteration 573: trace = 2.532226605495628 (1.2483e-09% change) linmin: converged after 4 iterations. iteration 574: trace = 2.532226605490959 (1.84372e-10% change) large trace change predicted (1.04917e-09%) linmin: converged after 5 iterations. iteration 575: trace = 2.532226605464379 (1.04965e-09% change) linmin: converged after 9 iterations. iteration 576: trace = 2.532226605451706 (5.00485e-10% change) linmin: converged after 15 iterations. iteration 577: trace = 2.532226605442634 (3.58238e-10% change) large trace change predicted (8.04118e-10%) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605422269 (8.04235e-10% change) linmin: converged after 16 iterations. iteration 579: trace = 2.532226605397448 (9.80223e-10% change) linmin: converged after 14 iterations. iteration 580: trace = 2.532226605389615 (3.09344e-10% change) large trace change predicted (1.03181e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.532226605363478 (1.03215e-09% change) linmin: converged after 19 iterations. iteration 582: trace = 2.532226605339899 (9.31171e-10% change) linmin: converged after 9 iterations. iteration 583: trace = 2.532226605322448 (6.89154e-10% change) large trace change predicted (1.48305e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.532226605284889 (1.48322e-09% change) linmin: converged after 9 iterations. iteration 585: trace = 2.532226605252411 (1.2826e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.53222660523769 (5.81351e-10% change) large trace change predicted (1.69467e-09%) linmin: converged after 10 iterations. iteration 587: trace = 2.532226605194783 (1.69442e-09% change) linmin: converged after 3 iterations. iteration 588: trace = 2.532226605169754 (9.88449e-10% change) linmin: converged after 9 iterations. iteration 589: trace = 2.53222660516193 (3.08941e-10% change) large trace change predicted (8.09546e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.532226605141435 (8.09391e-10% change) linmin: converged after 4 iterations. iteration 591: trace = 2.532226605122277 (7.56568e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.532226605113052 (3.64289e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.532226605096785 (6.42399e-10% change) linmin: converged after 11 iterations. iteration 594: trace = 2.532226605071255 (1.00823e-09% change) linmin: converged after 15 iterations. iteration 595: trace = 2.532226605065208 (2.38773e-10% change) large trace change predicted (1.11555e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.532226605036951 (1.11591e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605011912 (9.88799e-10% change) linmin: converged after 4 iterations. iteration 598: trace = 2.532226604999558 (4.87893e-10% change) large trace change predicted (1.53438e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.532226604960699 (1.53457e-09% change) linmin: converged after 6 iterations. iteration 600: trace = 2.532226604943441 (6.81542e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.532226604920721 (8.97218e-10% change) linmin: converged after 2 iterations. iteration 602: trace = 2.5322266048963 (9.64405e-10% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226604890242 (2.39229e-10% change) large trace change predicted (1.21565e-09%) linmin: converged after 8 iterations. iteration 604: trace = 2.532226604859475 (1.21502e-09% change) linmin: converged after 4 iterations. iteration 605: trace = 2.532226604847395 (4.77055e-10% change) linmin: converged after 15 iterations. iteration 606: trace = 2.532226604835143 (4.83842e-10% change) linmin: converged after 7 iterations. iteration 607: trace = 2.532226604817381 (7.01465e-10% change) linmin: converged after 15 iterations. iteration 608: trace = 2.532226604797039 (8.03323e-10% change) linmin: converged after 3 iterations. iteration 609: trace = 2.532226604793828 (1.26796e-10% change) large trace change predicted (5.90518e-10%) linmin: converged after 8 iterations. iteration 610: trace = 2.532226604778882 (5.90225e-10% change) linmin: converged after 12 iterations. iteration 611: trace = 2.532226604768759 (3.99785e-10% change) linmin: converged after 2 iterations. iteration 612: trace = 2.532226604763534 (2.06346e-10% change) large trace change predicted (6.45542e-10%) linmin: converged after 4 iterations. iteration 613: trace = 2.532226604747184 (6.45678e-10% change) linmin: converged after 15 iterations. iteration 614: trace = 2.532226604715724 (1.24236e-09% change) linmin: converged after 11 iterations. iteration 615: trace = 2.532226604710788 (1.94947e-10% change) large trace change predicted (1.09362e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604683095 (1.0936e-09% change) linmin: converged after 25 iterations. iteration 617: trace = 2.532226604661638 (8.47377e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604657047 (1.81285e-10% change) large trace change predicted (6.95973e-10%) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604639426 (6.95888e-10% change) linmin: converged after 17 iterations. iteration 620: trace = 2.532226604627763 (4.60552e-10% change) linmin: converged after 9 iterations. iteration 621: trace = 2.532226604623508 (1.68062e-10% change) large trace change predicted (5.33152e-10%) linmin: converged after 6 iterations. iteration 622: trace = 2.532226604609999 (5.33473e-10% change) linmin: converged after 6 iterations. iteration 623: trace = 2.532226604598838 (4.40752e-10% change) linmin: converged after 9 iterations. iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 4.782995223999023 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.553205790621448 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.488913238697005 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199254755904 (0.957345% change) linmin: converged after 8 iterations. iteration 4: trace = 2.460842870020524 (0.176872% change) large trace change predicted (0.41962%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658433528779 (0.414718% change) linmin: converged after 4 iterations. iteration 6: trace = 2.44793737247712 (0.111096% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239313495162 (0.110278% change) linmin: converged after 3 iterations. iteration 8: trace = 2.442317503762355 (0.119561% change) linmin: converged after 4 iterations. iteration 9: trace = 2.441409215710333 (0.0371965% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907628170731 (0.0615239% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940340313637 (0.0206679% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989968456584 (0.0169496% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435761904823 (0.0227254% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281771534775 (0.00631533% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911257135296 (0.0151969% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756492356261 (0.00634845% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475053090656 (0.0115457% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033013528584 (0.0181368% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850970476376 (0.00747014% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522596811718 (0.0134762% change) linmin: converged after 4 iterations. iteration 21: trace = 2.436395585286843 (0.00521296% change) large trace change predicted (0.0178791%) linmin: converged after 4 iterations. iteration 22: trace = 2.43595471994275 (0.0180966% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746502242666 (0.00854805% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488727702074 (0.0105835% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193433965148 (0.0121254% change) linmin: converged after 7 iterations. iteration 26: trace = 2.435111803466801 (0.00335217% change) large trace change predicted (0.0170019%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694804084818 (0.0171259% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620961955467 (0.00303296% change) large trace change predicted (0.0100121%) linmin: converged after 3 iterations. iteration 29: trace = 2.43437688615835 (0.0100257% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193209974826 (0.00754539% change) linmin: converged after 3 iterations. iteration 31: trace = 2.43408129616119 (0.00459768% change) linmin: converged after 7 iterations. iteration 32: trace = 2.43391401671721 (0.00687262% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862481255047 (0.00211741% change) large trace change predicted (0.00703863%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691129389797 (0.00704057% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624304194898 (0.00274587% change) large trace change predicted (0.00707824%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451857381121 (0.00708626% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377299996253 (0.0030639% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271894258777 (0.00433176% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178234182453 (0.00384922% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135864364515 (0.00174135% change) large trace change predicted (0.00592597%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991500184515 (0.00593343% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956063817808 (0.0014565% change) large trace change predicted (0.0070595%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783990955872 (0.00707283% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719839586028 (0.00263699% change) large trace change predicted (0.00567853%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580667128755 (0.00572102% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479336362056 (0.00416565% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285019119929 (0.00798876% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170765713327 (0.00469748% change) linmin: converged after 3 iterations. iteration 49: trace = 2.43205259750985 (0.00485867% change) linmin: converged after 3 iterations. iteration 50: trace = 2.431877499914179 (0.00719984% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795698368098 (0.00336378% change) linmin: converged after 5 iterations. iteration 52: trace = 2.431696362779601 (0.00408495% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636735215938 (0.00245213% change) large trace change predicted (0.00592308%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492380695374 (0.00593669% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457137418089 (0.00144946% change) large trace change predicted (0.00664172%) linmin: converged after 5 iterations. iteration 56: trace = 2.431295722204049 (0.00663884% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257057177065 (0.00159032% change) large trace change predicted (0.00464771%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144068753099 (0.00464743% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090029143752 (0.00222283% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016690053393 (0.00301676% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957035925643 (0.00245391% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908601939359 (0.0019924% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849617811282 (0.00242645% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813232221527 (0.00149684% change) linmin: converged after 4 iterations. iteration 65: trace = 2.430743311495022 (0.00287647% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720436219301 (0.000941086% change) large trace change predicted (0.00257259%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657818551803 (0.00257613% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628246220045 (0.00121665% change) large trace change predicted (0.00251853%) linmin: converged after 3 iterations. iteration 69: trace = 2.43056702477033 (0.00251878% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539098081382 (0.00114898% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504606749671 (0.00141909% change) linmin: converged after 5 iterations. iteration 72: trace = 2.430479149459877 (0.00104741% change) linmin: converged after 16 iterations. iteration 73: trace = 2.430467696999023 (0.000471203% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449159324092 (0.000762723% change) linmin: converged after 4 iterations. iteration 75: trace = 2.430430808529334 (0.00075504% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421391604532 (0.00038746% change) large trace change predicted (0.000998066%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397160154567 (0.000997011% change) linmin: converged after 4 iterations. iteration 78: trace = 2.430362041417878 (0.00144499% change) linmin: converged after 5 iterations. iteration 79: trace = 2.430349773461511 (0.00050478% change) large trace change predicted (0.00196753%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301915585337 (0.0019692% change) linmin: converged after 3 iterations. iteration 81: trace = 2.430250372503576 (0.00212087% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430232623395246 (0.000730343% change) large trace change predicted (0.0037629%) linmin: converged after 4 iterations. iteration 83: trace = 2.4301412371588 (0.00376046% change) linmin: converged after 3 iterations. iteration 84: trace = 2.43010514343224 (0.00148526% change) linmin: converged after 4 iterations. iteration 85: trace = 2.430052021784968 (0.00218601% change) linmin: converged after 3 iterations. iteration 86: trace = 2.430006083395427 (0.00189045% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964346006139 (0.0017176% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930826247921 (0.00137944% change) linmin: converged after 11 iterations. iteration 89: trace = 2.429891868073963 (0.00160328% change) linmin: converged after 4 iterations. iteration 90: trace = 2.429864867882209 (0.00111117% change) linmin: converged after 5 iterations. iteration 91: trace = 2.42984402391576 (0.000857828% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825103839935 (0.000778657% change) linmin: converged after 4 iterations. iteration 93: trace = 2.429820292443241 (0.000198014% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811482297379 (0.000362585% change) linmin: converged after 14 iterations. iteration 95: trace = 2.429799286673712 (0.000501918% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796371916487 (0.000119959% change) large trace change predicted (0.000516904%) linmin: converged after 3 iterations. iteration 97: trace = 2.429783813738664 (0.000516842% change) linmin: converged after 3 iterations. iteration 98: trace = 2.429779151397187 (0.000191883% change) large trace change predicted (0.000403624%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769350189761 (0.000403379% change) linmin: converged after 4 iterations. iteration 100: trace = 2.429751340478064 (0.000741213% change) linmin: converged after 5 iterations. iteration 101: trace = 2.429742382082464 (0.000368697% change) large trace change predicted (0.00142086%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707985013141 (0.00141568% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664848526827 (0.00177539% change) linmin: converged after 5 iterations. iteration 104: trace = 2.429647100743156 (0.000730465% change) large trace change predicted (0.00236241%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590054218317 (0.00234796% change) linmin: converged after 4 iterations. iteration 106: trace = 2.429562480259027 (0.00113493% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535154296641 (0.00112473% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519732903807 (0.000634749% change) linmin: converged after 4 iterations. iteration 109: trace = 2.42951219614592 (0.000310216% change) linmin: converged after 5 iterations. iteration 110: trace = 2.429498081352979 (0.000580974% change) linmin: converged after 10 iterations. iteration 111: trace = 2.429487760929294 (0.000424797% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483243074665 (0.000185959% change) large trace change predicted (0.000475034%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471695092463 (0.000475328% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465138123002 (0.000269893% change) linmin: converged after 4 iterations. iteration 115: trace = 2.42945938055594 (0.000236989% change) large trace change predicted (0.000647843%) linmin: converged after 4 iterations. iteration 116: trace = 2.42944361413424 (0.00064897% change) linmin: converged after 14 iterations. iteration 117: trace = 2.429438400041199 (0.000214621% change) large trace change predicted (0.000450964%) linmin: converged after 3 iterations. iteration 118: trace = 2.429427430525862 (0.000451526% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413713505623 (0.000564621% change) linmin: converged after 3 iterations. iteration 120: trace = 2.4294083390858 (0.000221223% change) large trace change predicted (0.000901689%) linmin: converged after 4 iterations. iteration 121: trace = 2.429386329284622 (0.000905978% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375863255854 (0.00043081% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364826988096 (0.000454285% change) large trace change predicted (0.00110555%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337840515783 (0.00111085% change) linmin: converged after 4 iterations. iteration 125: trace = 2.42933410208479 (0.000153887% change) large trace change predicted (0.00052566%) linmin: converged after 5 iterations. iteration 126: trace = 2.429321314845719 (0.000526369% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312599559619 (0.000358755% change) linmin: converged after 5 iterations. iteration 128: trace = 2.429307021087118 (0.000229632% change) linmin: converged after 5 iterations. iteration 129: trace = 2.42929958575789 (0.000306068% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296539788722 (0.000125385% change) linmin: converged after 4 iterations. iteration 131: trace = 2.429294305400699 (9.19768e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.429292122600523 (8.98533e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.429291314686784 (3.32572e-05% change) large trace change predicted (0.000157942%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287476323366 (0.000158004% change) linmin: converged after 3 iterations. iteration 135: trace = 2.42928576979761 (7.0248e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429284010270354 (7.24298e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.429281362485154 (0.000108995% change) linmin: converged after 4 iterations. iteration 138: trace = 2.42927809653981 (0.000134441% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275607822539 (0.000102447% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274093062705 (6.23544e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.429272890958271 (4.94841e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271249541947 (6.75682e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270207995202 (4.28749e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268640513438 (6.45248e-05% change) linmin: converged after 10 iterations. iteration 145: trace = 2.429267029976984 (6.62972e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.42926645766938 (2.35589e-05% change) large trace change predicted (8.02167e-05%) linmin: converged after 5 iterations. iteration 147: trace = 2.429264509693013 (8.01879e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263383610925 (4.63549e-05% change) linmin: converged after 14 iterations. iteration 149: trace = 2.429261898029446 (6.11536e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259843228488 (8.45854e-05% change) linmin: converged after 9 iterations. iteration 151: trace = 2.429257075160755 (0.000113947% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255780909553 (5.32777e-05% change) large trace change predicted (0.000132524%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252563104281 (0.000132461% change) linmin: converged after 3 iterations. iteration 154: trace = 2.42925184933551 (2.93822e-05% change) large trace change predicted (0.000122656%) linmin: converged after 4 iterations. iteration 155: trace = 2.429248872589175 (0.000122538% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246901065232 (8.11578e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245882956419 (4.19105e-05% change) large trace change predicted (0.000117697%) linmin: converged after 5 iterations. iteration 158: trace = 2.429243024087283 (0.000117686% change) linmin: converged after 13 iterations. iteration 159: trace = 2.42924113639769 (7.77069e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240366777501 (3.16815e-05% change) large trace change predicted (9.46388e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.429238068403595 (9.46129e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429236539509766 (6.29372e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.429234987727312 (6.38795e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.429234256920607 (3.00838e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233883868129 (1.53568e-05% change) large trace change predicted (3.28506e-05%) linmin: converged after 4 iterations. iteration 166: trace = 2.429233085995593 (3.28446e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232295160021 (3.2555e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232102888984 (7.91489e-06% change) large trace change predicted (2.13645e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231583890314 (2.13647e-05% change) large trace change predicted (4.62072e-05%) linmin: converged after 4 iterations. iteration 170: trace = 2.429230460568542 (4.62419e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.429230047862521 (1.69892e-05% change) large trace change predicted (4.99371e-05%) linmin: converged after 5 iterations. iteration 172: trace = 2.429228834067868 (4.99662e-05% change) linmin: converged after 5 iterations. iteration 173: trace = 2.429226577625988 (9.28872e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225448690378 (4.64731e-05% change) large trace change predicted (0.00015282%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221725356604 (0.000153273% change) linmin: converged after 3 iterations. iteration 176: trace = 2.429220661944724 (4.37758e-05% change) large trace change predicted (0.000105601%) linmin: converged after 5 iterations. iteration 177: trace = 2.429218091704528 (0.000105805% change) linmin: converged after 4 iterations. iteration 178: trace = 2.429216795668937 (5.3352e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216318331167 (1.96499e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215476912975 (3.46374e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214875314416 (2.47651e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214663414664 (8.72297e-06% change) large trace change predicted (1.81869e-05%) linmin: converged after 4 iterations. iteration 183: trace = 2.429214221565788 (1.8189e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213984677035 (9.75166e-06% change) large trace change predicted (2.09936e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.429213474680934 (2.09943e-05% change) large trace change predicted (4.56717e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212365153615 (4.56744e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429212026400968 (1.3945e-05% change) large trace change predicted (3.94202e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.429211068770147 (3.94215e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.429209642033 (5.87325e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429209301935933 (1.40003e-05% change) large trace change predicted (9.25361e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.429207054553685 (9.2515e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.42920549670188 (6.41301e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.429204819776946 (2.78661e-05% change) large trace change predicted (8.18913e-05%) linmin: converged after 4 iterations. iteration 194: trace = 2.429202831236179 (8.18598e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201138362308 (6.96885e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200323012721 (3.35645e-05% change) large trace change predicted (8.31709e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198303567092 (8.31322e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196805629418 (6.16639e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.429196182943441 (2.56334e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.429195215532692 (3.98243e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.429194990200281 (9.27601e-06% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194618319072 (1.53088e-05% change) linmin: converged after 4 iterations. iteration 203: trace = 2.429193914553782 (2.89711e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193731764764 (7.52468e-06% change) large trace change predicted (2.08477e-05%) linmin: converged after 3 iterations. iteration 205: trace = 2.429193225342077 (2.08474e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.429192572523023 (2.68739e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.429192202283736 (1.52413e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.429191604892141 (2.45922e-05% change) large trace change predicted (7.48501e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.429189786723055 (7.48467e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.429189035226658 (3.09361e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429188353489596 (2.80644e-05% change) linmin: converged after 4 iterations. iteration 212: trace = 2.429188058780088 (1.2132e-05% change) linmin: converged after 10 iterations. iteration 213: trace = 2.429187704674257 (1.45771e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.429187256393432 (1.84539e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429187110358006 (6.0117e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.429186832885372 (1.14224e-05% change) large trace change predicted (2.48735e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429186228697037 (2.4872e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429186061814468 (6.8699e-06% change) large trace change predicted (2.04016e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429185566158758 (2.04042e-05% change) linmin: converged after 2 iterations. iteration 220: trace = 2.429185198851079 (1.51206e-05% change) linmin: converged after 11 iterations. iteration 221: trace = 2.429184968496556 (9.48279e-06% change) large trace change predicted (2.80155e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.429184287927164 (2.80164e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.429184089879073 (8.15286e-06% change) large trace change predicted (2.34384e-05%) linmin: converged after 3 iterations. iteration 224: trace = 2.429183520565823 (2.34364e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.429182938238127 (2.39722e-05% change) linmin: converged after 2 iterations. iteration 226: trace = 2.429182756518748 (7.48068e-06% change) large trace change predicted (2.1841e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.429182226031851 (2.18381e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181596068853 (2.59331e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.429181332945769 (1.08318e-05% change) large trace change predicted (2.65155e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.429180688903546 (2.65127e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 2.429179901322561 (3.24217e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.42917968824544 (8.77157e-06% change) large trace change predicted (1.7545e-05%) linmin: converged after 3 iterations. iteration 233: trace = 2.429179262082394 (1.75435e-05% change) linmin: converged after 2 iterations. iteration 234: trace = 2.429179059783791 (8.32786e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178948125327 (4.59655e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.429178815387207 (5.46432e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429178685026278 (5.36646e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.4291786422822 (1.75961e-06% change) large trace change predicted (6.3228e-06%) linmin: converged after 3 iterations. iteration 239: trace = 2.429178488726127 (6.32132e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.429178226328228 (1.08019e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429178098467372 (5.26354e-06% change) linmin: converged after 5 iterations. iteration 242: trace = 2.429177845535906 (1.04122e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.429177340626667 (2.07852e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429177176341105 (6.76301e-06% change) large trace change predicted (2.77559e-05%) linmin: converged after 5 iterations. iteration 245: trace = 2.429176502846627 (2.77252e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.429176238380631 (1.08871e-05% change) linmin: converged after 6 iterations. iteration 247: trace = 2.429175986076123 (1.03864e-05% change) linmin: converged after 7 iterations. iteration 248: trace = 2.429175577840264 (1.68055e-05% change) linmin: converged after 13 iterations. iteration 249: trace = 2.429175408961133 (6.95212e-06% change) large trace change predicted (1.3957e-05%) linmin: converged after 7 iterations. iteration 250: trace = 2.429175069993494 (1.3954e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.429174761872467 (1.26842e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.42917466887513 (3.82835e-06% change) large trace change predicted (1.30762e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.429174351289464 (1.30738e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.429174170497995 (7.44251e-06% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429174050528544 (4.93869e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173939539032 (4.56902e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.429173810486296 (5.31262e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.429173757768106 (2.17021e-06% change) large trace change predicted (7.01507e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429173587357009 (7.01519e-06% change) linmin: converged after 36 iterations. iteration 260: trace = 2.429173545915708 (1.70598e-06% change) large trace change predicted (1.32787e-05%) linmin: converged after 5 iterations. iteration 261: trace = 2.429173223315636 (1.32802e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.429172942481005 (1.15609e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172792162812 (6.18804e-06% change) large trace change predicted (2.2294e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.429172250254731 (2.23083e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171719172465 (2.18627e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429171518377716 (8.26598e-06% change) large trace change predicted (2.88089e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.429170817972117 (2.88331e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.42917067117088 (6.04327e-06% change) large trace change predicted (1.21646e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.429170375548563 (1.21697e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.429170141903263 (9.61832e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429170003374988 (5.7027e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169922373948 (3.33452e-06% change) large trace change predicted (9.25322e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169697564546 (9.25458e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.429169652963815 (1.83605e-06% change) large trace change predicted (9.25293e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169428190389 (9.2531e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429169269843783 (6.51855e-06% change) linmin: converged after 3 iterations. iteration 277: trace = 2.429169210874933 (2.42753e-06% change) large trace change predicted (7.91894e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429169018513845 (7.9188e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.429168919573291 (4.07302e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.429168871317946 (1.9865e-06% change) large trace change predicted (6.03567e-06%) linmin: converged after 4 iterations. iteration 281: trace = 2.429168724707311 (6.03542e-06% change) linmin: converged after 4 iterations. iteration 282: trace = 2.429168675783422 (2.01402e-06% change) large trace change predicted (4.60575e-06%) linmin: converged after 3 iterations. iteration 283: trace = 2.42916856390598 (4.60559e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.429168397455134 (6.85217e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.429168351774628 (1.8805e-06% change) large trace change predicted (3.89849e-06%) linmin: converged after 4 iterations. iteration 286: trace = 2.429168257067436 (3.89875e-06% change) linmin: converged after 3 iterations. iteration 287: trace = 2.42916808912151 (6.91372e-06% change) linmin: converged after 29 iterations. iteration 288: trace = 2.429168054476065 (1.42623e-06% change) large trace change predicted (7.91204e-06%) linmin: converged after 7 iterations. iteration 289: trace = 2.429167862358921 (7.90876e-06% change) linmin: converged after 10 iterations. iteration 290: trace = 2.429167719322011 (5.88831e-06% change) linmin: converged after 4 iterations. iteration 291: trace = 2.429167544468004 (7.1981e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.42916731615927 (9.39864e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.42916720194087 (4.70196e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.429167017783616 (7.58109e-06% change) linmin: converged after 4 iterations. iteration 295: trace = 2.429166747503431 (1.11265e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.42916668283277 (2.66226e-06% change) large trace change predicted (6.80606e-06%) linmin: converged after 4 iterations. iteration 297: trace = 2.429166517536004 (6.80467e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.429166300607401 (8.93017e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.429166261200211 (1.62225e-06% change) large trace change predicted (4.19602e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.429166159264932 (4.19631e-06% change) linmin: converged after 5 iterations. iteration 301: trace = 2.42916607812563 (3.34021e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.42916604924301 (1.18899e-06% change) large trace change predicted (4.50338e-06%) linmin: converged after 5 iterations. iteration 303: trace = 2.42916593984982 (4.50332e-06% change) linmin: converged after 3 iterations. iteration 304: trace = 2.429165910075201 (1.22571e-06% change) large trace change predicted (2.50423e-06%) linmin: converged after 8 iterations. iteration 305: trace = 2.42916584924665 (2.50409e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.42916580294676 (1.906e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.42916572913721 (3.03847e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.429165710655394 (7.6083e-07% change) large trace change predicted (3.34149e-06%) linmin: converged after 4 iterations. iteration 309: trace = 2.429165629472555 (3.34201e-06% change) linmin: converged after 4 iterations. iteration 310: trace = 2.429165484534654 (5.96657e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165448799646 (1.47108e-06% change) large trace change predicted (7.07575e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165276853678 (7.0784e-06% change) linmin: converged after 25 iterations. iteration 313: trace = 2.429165180315826 (3.97412e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.429165104352876 (3.12712e-06% change) linmin: converged after 7 iterations. iteration 315: trace = 2.429164991533192 (4.64438e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.42916486536403 (5.19393e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164796374211 (2.84006e-06% change) large trace change predicted (6.44745e-06%) linmin: converged after 4 iterations. iteration 318: trace = 2.429164639704397 (6.44953e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164606546153 (1.36501e-06% change) large trace change predicted (3.25242e-06%) linmin: converged after 4 iterations. iteration 320: trace = 2.429164527531566 (3.25275e-06% change) linmin: converged after 5 iterations. iteration 321: trace = 2.429164438660931 (3.65849e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.429164419398778 (7.92954e-07% change) large trace change predicted (2.3526e-06%) linmin: converged after 4 iterations. iteration 323: trace = 2.429164362247049 (2.35273e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.429164306062881 (2.3129e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164293306547 (5.25133e-07% change) large trace change predicted (2.2169e-06%) linmin: converged after 2 iterations. iteration 326: trace = 2.4291642394545 (2.2169e-06% change) linmin: converged after 7 iterations. iteration 327: trace = 2.429164221111337 (7.55122e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.429164193894918 (1.1204e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.429164149591694 (1.82381e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429164063698702 (3.53591e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.429164024759665 (1.60298e-06% change) large trace change predicted (5.53348e-06%) linmin: converged after 2 iterations. iteration 332: trace = 2.429163890342143 (5.53349e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163765920217 (5.12201e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.429163655993809 (4.52528e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163482734742 (7.13246e-06% change) linmin: converged after 2 iterations. iteration 336: trace = 2.429163405761019 (3.16873e-06% change) linmin: converged after 15 iterations. iteration 337: trace = 2.429163327456446 (3.22352e-06% change) linmin: converged after 6 iterations. iteration 338: trace = 2.429163226055506 (4.17432e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163204380151 (8.92297e-07% change) large trace change predicted (3.49725e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.429163119431029 (3.49705e-06% change) linmin: converged after 20 iterations. iteration 341: trace = 2.429163077721464 (1.71703e-06% change) linmin: converged after 22 iterations. iteration 342: trace = 2.429163045872508 (1.31111e-06% change) linmin: converged after 5 iterations. iteration 343: trace = 2.429162992538449 (2.19557e-06% change) linmin: converged after 6 iterations. iteration 344: trace = 2.429162965495263 (1.11327e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.429162913274279 (2.14975e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.429162863235207 (2.05993e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.4291628456336 (7.24596e-07% change) large trace change predicted (1.77847e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.429162802430328 (1.77853e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.429162739935152 (2.5727e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 350: trace = 2.42916270053176 (1.6221e-06% change) linmin: converged after 9 iterations. iteration 351: trace = 2.429162686618872 (5.72744e-07% change) large trace change predicted (1.60545e-06%) linmin: converged after 11 iterations. iteration 352: trace = 2.429162647620967 (1.60541e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.429162612939828 (1.4277e-06% change) linmin: converged after 17 iterations. iteration 354: trace = 2.429162598742549 (5.84452e-07% change) large trace change predicted (2.42484e-06%) linmin: converged after 3 iterations. iteration 355: trace = 2.4291625398385 (2.42487e-06% change) linmin: converged after 10 iterations. iteration 356: trace = 2.4291625158628 (9.86994e-07% change) large trace change predicted (1.99257e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.429162467451931 (1.9929e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.429162425156038 (1.74117e-06% change) linmin: converged after 8 iterations. iteration 359: trace = 2.42916241150935 (5.61786e-07% change) large trace change predicted (2.05754e-06%) linmin: converged after 2 iterations. iteration 360: trace = 2.429162361526912 (2.0576e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162305005736 (2.32678e-06% change) linmin: converged after 21 iterations. iteration 362: trace = 2.429162289033123 (6.57536e-07% change) large trace change predicted (2.59992e-06%) linmin: converged after 2 iterations. iteration 363: trace = 2.429162225874592 (2.60001e-06% change) linmin: converged after 8 iterations. iteration 364: trace = 2.42916215213349 (3.03566e-06% change) linmin: converged after 6 iterations. iteration 365: trace = 2.429162114735383 (1.53955e-06% change) large trace change predicted (4.12664e-06%) linmin: converged after 5 iterations. iteration 366: trace = 2.429162014485762 (4.12692e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161937969076 (3.14992e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.429161921258092 (6.87932e-07% change) large trace change predicted (2.36695e-06%) linmin: converged after 3 iterations. iteration 369: trace = 2.429161863759391 (2.36702e-06% change) linmin: converged after 11 iterations. iteration 370: trace = 2.429161849976834 (5.67379e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161834118966 (6.52812e-07% change) linmin: converged after 21 iterations. iteration 372: trace = 2.429161820346843 (5.6695e-07% change) linmin: converged after 8 iterations. iteration 373: trace = 2.429161810521062 (4.04493e-07% change) linmin: converged after 9 iterations. iteration 374: trace = 2.42916179531213 (6.26098e-07% change) linmin: converged after 20 iterations. iteration 375: trace = 2.429161771423542 (9.83409e-07% change) linmin: converged after 13 iterations. iteration 376: trace = 2.429161763830456 (3.1258e-07% change) large trace change predicted (9.95475e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161739650788 (9.95391e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.429161704218765 (1.45861e-06% change) linmin: converged after 14 iterations. iteration 379: trace = 2.429161693347212 (4.47543e-07% change) large trace change predicted (1.20818e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.429161664000104 (1.20812e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.429161611934315 (2.14336e-06% change) linmin: converged after 10 iterations. iteration 382: trace = 2.429161601574118 (4.26493e-07% change) large trace change predicted (2.10697e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.429161550399598 (2.10667e-06% change) linmin: converged after 17 iterations. iteration 384: trace = 2.429161522993279 (1.12822e-06% change) linmin: converged after 10 iterations. iteration 385: trace = 2.429161500564571 (9.23311e-07% change) linmin: converged after 7 iterations. iteration 386: trace = 2.429161456703279 (1.80561e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161415467751 (1.69752e-06% change) linmin: converged after 16 iterations. iteration 388: trace = 2.429161393304343 (9.12389e-07% change) large trace change predicted (1.89859e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.429161347186578 (1.89851e-06% change) linmin: converged after 7 iterations. iteration 390: trace = 2.429161324950827 (9.15367e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.429161317015616 (3.26665e-07% change) large trace change predicted (8.59745e-07%) linmin: converged after 4 iterations. iteration 392: trace = 2.429161296131448 (8.59728e-07% change) linmin: converged after 2 iterations. iteration 393: trace = 2.429161291181173 (2.03785e-07% change) large trace change predicted (5.29641e-07%) linmin: converged after 5 iterations. iteration 394: trace = 2.429161278315192 (5.29647e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161265356961 (5.33445e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.429161261869211 (1.43578e-07% change) large trace change predicted (8.36476e-07%) linmin: converged after 2 iterations. iteration 397: trace = 2.429161241549844 (8.36477e-07% change) linmin: converged after 15 iterations. iteration 398: trace = 2.429161218388045 (9.5349e-07% change) linmin: converged after 4 iterations. iteration 399: trace = 2.429161210937119 (3.06728e-07% change) large trace change predicted (8.14179e-07%) linmin: converged after 3 iterations. iteration 400: trace = 2.429161191159865 (8.1416e-07% change) linmin: converged after 10 iterations. iteration 401: trace = 2.42916115839568 (1.34879e-06% change) linmin: converged after 10 iterations. iteration 402: trace = 2.429161140878337 (7.21127e-07% change) large trace change predicted (1.49051e-06%) linmin: converged after 20 iterations. iteration 403: trace = 2.429161104667986 (1.49065e-06% change) linmin: converged after 11 iterations. iteration 404: trace = 2.429161083170334 (8.84983e-07% change) linmin: converged after 3 iterations. iteration 405: trace = 2.429161048270787 (1.43669e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.42916099920414 (2.0199e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.429160982945467 (6.69312e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.429160959714191 (9.5635e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.429160920962948 (1.59525e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.429160911946585 (3.71172e-07% change) large trace change predicted (9.33439e-07%) linmin: converged after 15 iterations. iteration 411: trace = 2.429160889269008 (9.33556e-07% change) linmin: converged after 4 iterations. iteration 412: trace = 2.429160866943898 (9.19046e-07% change) linmin: converged after 6 iterations. iteration 413: trace = 2.4291608614916 (2.24452e-07% change) large trace change predicted (5.07435e-07%) linmin: converged after 20 iterations. iteration 414: trace = 2.429160849164178 (5.07477e-07% change) linmin: converged after 7 iterations. iteration 415: trace = 2.42916083216274 (6.99889e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160826769361 (2.22026e-07% change) large trace change predicted (4.99169e-07%) linmin: converged after 23 iterations. iteration 417: trace = 2.429160814643395 (4.99183e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.429160802418464 (5.03257e-07% change) linmin: converged after 5 iterations. iteration 419: trace = 2.429160796221078 (2.55125e-07% change) resetting CG direction... linmin: converged after 17 iterations. iteration 420: trace = 2.429160790346842 (2.41822e-07% change) linmin: converged after 2 iterations. iteration 421: trace = 2.429160779915612 (4.29417e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.429160768544104 (4.68125e-07% change) linmin: converged after 3 iterations. iteration 423: trace = 2.42916076367561 (2.00419e-07% change) large trace change predicted (5.93356e-07%) linmin: converged after 23 iterations. iteration 424: trace = 2.429160749262659 (5.9333e-07% change) linmin: converged after 3 iterations. iteration 425: trace = 2.429160738203669 (4.5526e-07% change) linmin: converged after 16 iterations. iteration 426: trace = 2.429160734104865 (1.68733e-07% change) large trace change predicted (7.28314e-07%) linmin: converged after 4 iterations. iteration 427: trace = 2.429160716414508 (7.2825e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.429160706502238 (4.08053e-07% change) linmin: converged after 14 iterations. iteration 429: trace = 2.429160692077318 (5.93823e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160667097955 (1.02831e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.429160655367485 (4.82902e-07% change) linmin: converged after 6 iterations. iteration 432: trace = 2.429160640748588 (6.01809e-07% change) large trace change predicted (1.2155e-06%) linmin: converged after 8 iterations. iteration 433: trace = 2.429160611227006 (1.2153e-06% change) linmin: converged after 11 iterations. iteration 434: trace = 2.429160602749563 (3.48987e-07% change) large trace change predicted (1.02435e-06%) linmin: converged after 3 iterations. iteration 435: trace = 2.429160577870109 (1.0242e-06% change) linmin: converged after 9 iterations. iteration 436: trace = 2.429160558905898 (7.8069e-07% change) linmin: converged after 9 iterations. iteration 437: trace = 2.429160552631934 (2.58277e-07% change) large trace change predicted (7.65455e-07%) linmin: converged after 8 iterations. iteration 438: trace = 2.429160534039245 (7.65396e-07% change) linmin: converged after 7 iterations. iteration 439: trace = 2.429160523677099 (4.26573e-07% change) linmin: converged after 5 iterations. iteration 440: trace = 2.42916051975533 (1.61445e-07% change) large trace change predicted (4.48006e-07%) linmin: converged after 5 iterations. iteration 441: trace = 2.429160508872857 (4.47993e-07% change) linmin: converged after 6 iterations. iteration 442: trace = 2.429160499818887 (3.7272e-07% change) linmin: converged after 20 iterations. iteration 443: trace = 2.429160497920686 (7.81423e-08% change) large trace change predicted (1.8902e-07%) linmin: converged after 3 iterations. iteration 444: trace = 2.429160493329062 (1.89021e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.429160488293158 (2.0731e-07% change) linmin: converged after 15 iterations. iteration 446: trace = 2.429160484353091 (1.62199e-07% change) large trace change predicted (3.93662e-07%) linmin: converged after 5 iterations. iteration 447: trace = 2.429160474790068 (3.93676e-07% change) linmin: converged after 11 iterations. iteration 448: trace = 2.429160471580279 (1.32136e-07% change) large trace change predicted (3.37821e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.429160463373595 (3.3784e-07% change) large trace change predicted (7.50168e-07%) linmin: converged after 4 iterations. iteration 450: trace = 2.429160445149095 (7.50239e-07% change) linmin: converged after 8 iterations. iteration 451: trace = 2.429160430415562 (6.06528e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.429160418995421 (4.70127e-07% change) linmin: converged after 7 iterations. iteration 453: trace = 2.429160408187375 (4.44929e-07% change) linmin: converged after 6 iterations. iteration 454: trace = 2.429160392174707 (6.59185e-07% change) linmin: converged after 14 iterations. iteration 455: trace = 2.429160389306145 (1.18089e-07% change) large trace change predicted (7.13829e-07%) linmin: converged after 5 iterations. iteration 456: trace = 2.429160371964514 (7.13894e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.429160366450214 (2.27004e-07% change) linmin: converged after 11 iterations. iteration 458: trace = 2.429160358240431 (3.37968e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.429160347465205 (4.43578e-07% change) linmin: converged after 4 iterations. iteration 460: trace = 2.429160344197699 (1.34512e-07% change) large trace change predicted (3.7424e-07%) linmin: converged after 5 iterations. iteration 461: trace = 2.429160335106463 (3.74254e-07% change) linmin: converged after 6 iterations. iteration 462: trace = 2.429160328738462 (2.62148e-07% change) linmin: converged after 6 iterations. iteration 463: trace = 2.429160326096865 (1.08745e-07% change) large trace change predicted (2.29086e-07%) linmin: converged after 13 iterations. iteration 464: trace = 2.42916032053192 (2.29089e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.429160316560381 (1.63494e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160314743921 (7.47773e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.429160311749455 (1.23272e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.429160306253959 (2.2623e-07% change) linmin: converged after 4 iterations. iteration 469: trace = 2.429160304081518 (8.94318e-08% change) large trace change predicted (5.13348e-07%) linmin: converged after 5 iterations. iteration 470: trace = 2.429160291611896 (5.13331e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.429160283833624 (3.20204e-07% change) linmin: converged after 16 iterations. iteration 472: trace = 2.429160275131582 (3.58233e-07% change) linmin: converged after 16 iterations. iteration 473: trace = 2.429160259073368 (6.6106e-07% change) linmin: converged after 4 iterations. iteration 474: trace = 2.429160247142288 (4.91161e-07% change) linmin: converged after 6 iterations. iteration 475: trace = 2.429160239085526 (3.31669e-07% change) linmin: converged after 7 iterations. iteration 476: trace = 2.42916022558022 (5.55966e-07% change) linmin: converged after 8 iterations. iteration 477: trace = 2.429160222701592 (1.18503e-07% change) large trace change predicted (4.17295e-07%) linmin: converged after 5 iterations. iteration 478: trace = 2.429160212565087 (4.17284e-07% change) linmin: converged after 5 iterations. iteration 479: trace = 2.429160204034741 (3.51164e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160202211879 (7.50408e-08% change) large trace change predicted (2.07523e-07%) linmin: converged after 13 iterations. iteration 481: trace = 2.429160197170912 (2.07519e-07% change) linmin: converged after 8 iterations. iteration 482: trace = 2.429160189434346 (3.18487e-07% change) linmin: converged after 3 iterations. iteration 483: trace = 2.429160186781246 (1.09219e-07% change) linmin: converged after 10 iterations. iteration 484: trace = 2.429160182012993 (1.96292e-07% change) linmin: converged after 6 iterations. iteration 485: trace = 2.429160177176469 (1.99103e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.429160174959482 (9.12656e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.429160171172834 (1.55883e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.429160166507869 (1.9204e-07% change) linmin: converged after 9 iterations. iteration 489: trace = 2.429160160202792 (2.59558e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.429160155170272 (2.07171e-07% change) linmin: converged after 7 iterations. iteration 491: trace = 2.429160151571659 (1.48142e-07% change) linmin: converged after 5 iterations. iteration 492: trace = 2.429160149556282 (8.2966e-08% change) linmin: converged after 10 iterations. iteration 493: trace = 2.429160146780887 (1.14253e-07% change) linmin: converged after 2 iterations. iteration 494: trace = 2.429160142508357 (1.75885e-07% change) linmin: converged after 6 iterations. iteration 495: trace = 2.429160139973566 (1.04348e-07% change) linmin: converged after 7 iterations. iteration 496: trace = 2.429160135710989 (1.75475e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.429160129290891 (2.64293e-07% change) linmin: converged after 21 iterations. iteration 498: trace = 2.429160127146059 (8.82952e-08% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160123941492 (1.31921e-07% change) linmin: converged after 15 iterations. iteration 500: trace = 2.429160119289382 (1.91511e-07% change) linmin: converged after 10 iterations. iteration 501: trace = 2.429160117349411 (7.98618e-08% change) large trace change predicted (2.72437e-07%) linmin: converged after 15 iterations. iteration 502: trace = 2.429160110731423 (2.72439e-07% change) linmin: converged after 18 iterations. iteration 503: trace = 2.429160106797444 (1.61948e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.429160100888619 (2.43246e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.429160090558906 (4.25238e-07% change) linmin: converged after 2 iterations. iteration 506: trace = 2.429160086442407 (1.69462e-07% change) linmin: converged after 14 iterations. iteration 507: trace = 2.429160080154664 (2.58844e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.429160072676628 (3.07845e-07% change) linmin: converged after 14 iterations. iteration 509: trace = 2.429160069911462 (1.13832e-07% change) linmin: converged after 13 iterations. iteration 510: trace = 2.429160066042389 (1.59276e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.429160062995054 (1.25448e-07% change) linmin: converged after 6 iterations. iteration 512: trace = 2.429160062364289 (2.59664e-08% change) large trace change predicted (6.72364e-08%) linmin: converged after 4 iterations. iteration 513: trace = 2.429160060730999 (6.72368e-08% change) linmin: converged after 9 iterations. iteration 514: trace = 2.429160059092071 (6.74689e-08% change) linmin: converged after 4 iterations. iteration 515: trace = 2.429160058640223 (1.8601e-08% change) large trace change predicted (1.37788e-07%) linmin: converged after 4 iterations. iteration 516: trace = 2.429160055293215 (1.37785e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.429160052668501 (1.0805e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.429160051444667 (5.0381e-08% change) large trace change predicted (1.56117e-07%) linmin: converged after 21 iterations. iteration 519: trace = 2.429160047652415 (1.56114e-07% change) linmin: converged after 5 iterations. iteration 520: trace = 2.429160043638118 (1.65255e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.429160041837858 (7.41104e-08% change) linmin: converged after 5 iterations. iteration 522: trace = 2.429160038508229 (1.37069e-07% change) linmin: converged after 35 iterations. iteration 523: trace = 2.429160032321545 (2.54684e-07% change) linmin: converged after 4 iterations. iteration 524: trace = 2.429160031307016 (4.17646e-08% change) large trace change predicted (2.14345e-07%) linmin: converged after 4 iterations. iteration 525: trace = 2.429160026100677 (2.14327e-07% change) linmin: converged after 4 iterations. iteration 526: trace = 2.429160023199376 (1.19436e-07% change) linmin: converged after 5 iterations. iteration 527: trace = 2.429160019372536 (1.57538e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.42916001545453 (1.61291e-07% change) linmin: converged after 24 iterations. iteration 529: trace = 2.429160013400103 (8.45735e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.42916001041666 (1.22818e-07% change) linmin: converged after 26 iterations. iteration 531: trace = 2.4291600078618 (1.05175e-07% change) linmin: converged after 9 iterations. iteration 532: trace = 2.429160006365997 (6.15769e-08% change) linmin: converged after 6 iterations. iteration 533: trace = 2.429160005060261 (5.37526e-08% change) linmin: converged after 5 iterations. iteration 534: trace = 2.429160003164485 (7.80424e-08% change) linmin: converged after 23 iterations. iteration 535: trace = 2.42916000262062 (2.2389e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429160001707465 (3.75914e-08% change) linmin: converged after 6 iterations. iteration 537: trace = 2.42915999996646 (7.16711e-08% change) linmin: converged after 5 iterations. iteration 538: trace = 2.429159999583672 (1.5758e-08% change) large trace change predicted (1.14684e-07%) linmin: converged after 4 iterations. iteration 539: trace = 2.429159996797819 (1.14684e-07% change) linmin: converged after 42 iterations. iteration 540: trace = 2.429159994434252 (9.72998e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159992983682 (5.97149e-08% change) large trace change predicted (1.32497e-07%) linmin: converged after 4 iterations. iteration 542: trace = 2.429159989765094 (1.32498e-07% change) linmin: converged after 22 iterations. iteration 543: trace = 2.429159986006735 (1.54718e-07% change) linmin: converged after 14 iterations. iteration 544: trace = 2.429159984648221 (5.59252e-08% change) large trace change predicted (1.75215e-07%) linmin: converged after 8 iterations. iteration 545: trace = 2.429159980391693 (1.75226e-07% change) linmin: converged after 6 iterations. iteration 546: trace = 2.429159975868127 (1.86219e-07% change) linmin: converged after 6 iterations. iteration 547: trace = 2.42915997401394 (7.63304e-08% change) linmin: converged after 28 iterations. iteration 548: trace = 2.429159970899685 (1.28203e-07% change) linmin: converged after 6 iterations. iteration 549: trace = 2.429159969023587 (7.72324e-08% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159966923767 (8.64422e-08% change) linmin: converged after 22 iterations. iteration 551: trace = 2.42915996411646 (1.15567e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.429159963256416 (3.5405e-08% change) large trace change predicted (8.8105e-08%) linmin: converged after 7 iterations. iteration 553: trace = 2.429159961116178 (8.81061e-08% change) linmin: converged after 11 iterations. iteration 554: trace = 2.429159959850148 (5.2118e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159959204245 (2.65896e-08% change) large trace change predicted (7.54184e-08%) linmin: converged after 6 iterations. iteration 556: trace = 2.429159957372193 (7.54191e-08% change) linmin: converged after 9 iterations. iteration 557: trace = 2.429159956173438 (4.93485e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.429159955303898 (3.5796e-08% change) linmin: converged after 21 iterations. iteration 559: trace = 2.429159954282675 (4.20402e-08% change) resetting CG direction... linmin: converged after 27 iterations. iteration 560: trace = 2.4291599533282 (3.92924e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159952578358 (3.08684e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159951443056 (4.67364e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159950151545 (5.3167e-08% change) linmin: converged after 22 iterations. iteration 564: trace = 2.429159949375478 (3.1948e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159948162482 (4.99348e-08% change) linmin: converged after 4 iterations. iteration 566: trace = 2.4291599472449 (3.77736e-08% change) linmin: converged after 4 iterations. iteration 567: trace = 2.429159945643833 (6.59103e-08% change) linmin: converged after 5 iterations. iteration 568: trace = 2.429159943403913 (9.22097e-08% change) linmin: converged after 8 iterations. iteration 569: trace = 2.42915994270143 (2.89188e-08% change) large trace change predicted (8.76938e-08%) linmin: converged after 26 iterations. iteration 570: trace = 2.429159940571244 (8.76923e-08% change) linmin: converged after 4 iterations. iteration 571: trace = 2.429159938341358 (9.17966e-08% change) linmin: converged after 2 iterations. iteration 572: trace = 2.429159937434698 (3.7324e-08% change) large trace change predicted (1.16727e-07%) linmin: converged after 7 iterations. iteration 573: trace = 2.429159934599276 (1.16724e-07% change) linmin: converged after 11 iterations. iteration 574: trace = 2.429159932015457 (1.06367e-07% change) linmin: converged after 6 iterations. iteration 575: trace = 2.429159931189711 (3.39931e-08% change) large trace change predicted (8.44899e-08%) linmin: converged after 4 iterations. iteration 576: trace = 2.429159929137369 (8.44877e-08% change) linmin: converged after 9 iterations. iteration 577: trace = 2.429159927564719 (6.47405e-08% change) linmin: converged after 11 iterations. iteration 578: trace = 2.429159926618487 (3.89531e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159925434069 (4.87583e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159924270412 (4.79037e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159923930551 (1.39909e-08% change) large trace change predicted (3.59666e-08%) linmin: converged after 19 iterations. iteration 582: trace = 2.429159923056868 (3.59665e-08% change) linmin: converged after 4 iterations. iteration 583: trace = 2.429159922883604 (7.13267e-09% change) large trace change predicted (1.89981e-08%) linmin: converged after 6 iterations. iteration 584: trace = 2.429159922422107 (1.89982e-08% change) linmin: converged after 4 iterations. iteration 585: trace = 2.42915992158914 (3.42903e-08% change) linmin: converged after 38 iterations. iteration 586: trace = 2.42915992139257 (8.09211e-09% change) large trace change predicted (4.54423e-08%) linmin: converged after 15 iterations. iteration 587: trace = 2.429159920288687 (4.5443e-08% change) linmin: converged after 4 iterations. iteration 588: trace = 2.429159919525869 (3.14026e-08% change) linmin: converged after 22 iterations. iteration 589: trace = 2.429159918945448 (2.38939e-08% change) large trace change predicted (7.26257e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159917181199 (7.26279e-08% change) linmin: converged after 6 iterations. iteration 591: trace = 2.429159915582289 (6.58215e-08% change) linmin: converged after 7 iterations. iteration 592: trace = 2.429159913632309 (8.02739e-08% change) linmin: converged after 18 iterations. iteration 593: trace = 2.429159913160523 (1.94218e-08% change) large trace change predicted (7.30788e-08%) linmin: converged after 23 iterations. iteration 594: trace = 2.429159911385252 (7.30817e-08% change) linmin: converged after 8 iterations. iteration 595: trace = 2.429159910327386 (4.35486e-08% change) linmin: converged after 6 iterations. iteration 596: trace = 2.429159909261152 (4.38931e-08% change) linmin: converged after 9 iterations. iteration 597: trace = 2.429159908063157 (4.93173e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159907270598 (3.26268e-08% change) linmin: converged after 4 iterations. iteration 599: trace = 2.429159906645621 (2.57281e-08% change) linmin: converged after 19 iterations. iteration 600: trace = 2.429159905508479 (4.68121e-08% change) linmin: converged after 10 iterations. iteration 601: trace = 2.429159905267895 (9.904e-09% change) large trace change predicted (2.6928e-08%) linmin: converged after 4 iterations. iteration 602: trace = 2.429159904613762 (2.69284e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159903878265 (3.02778e-08% change) linmin: converged after 3 iterations. iteration 604: trace = 2.429159903713339 (6.78944e-09% change) large trace change predicted (2.14492e-08%) linmin: converged after 5 iterations. iteration 605: trace = 2.429159903192303 (2.14492e-08% change) linmin: converged after 19 iterations. iteration 606: trace = 2.429159902932113 (1.07111e-08% change) linmin: converged after 17 iterations. iteration 607: trace = 2.429159902765158 (6.87297e-09% change) large trace change predicted (3.11253e-08%) linmin: converged after 3 iterations. iteration 608: trace = 2.429159902009078 (3.11251e-08% change) linmin: converged after 8 iterations. iteration 609: trace = 2.429159901481877 (2.1703e-08% change) linmin: converged after 17 iterations. iteration 610: trace = 2.429159900588093 (3.67939e-08% change) linmin: converged after 4 iterations. iteration 611: trace = 2.42915989927498 (5.40563e-08% change) linmin: converged after 4 iterations. iteration 612: trace = 2.42915989861517 (2.7162e-08% change) large trace change predicted (5.86787e-08%) linmin: converged after 3 iterations. iteration 613: trace = 2.42915989718979 (5.86779e-08% change) linmin: converged after 8 iterations. iteration 614: trace = 2.429159895493415 (6.98338e-08% change) linmin: converged after 18 iterations. iteration 615: trace = 2.429159894934415 (2.30121e-08% change) large trace change predicted (5.43398e-08%) linmin: converged after 6 iterations. iteration 616: trace = 2.429159893614428 (5.43392e-08% change) linmin: converged after 11 iterations. iteration 617: trace = 2.429159892495774 (4.60511e-08% change) linmin: converged after 10 iterations. iteration 618: trace = 2.429159892304168 (7.88774e-09% change) large trace change predicted (3.69638e-08%) linmin: converged after 8 iterations. iteration 619: trace = 2.429159891406282 (3.69628e-08% change) linmin: converged after 4 iterations. iteration 620: trace = 2.429159890950887 (1.8747e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159890060528 (3.6653e-08% change) linmin: converged after 15 iterations. iteration 622: trace = 2.429159889869549 (7.86196e-09% change) large trace change predicted (2.69517e-08%) linmin: converged after 4 iterations. iteration 623: trace = 2.429159889214849 (2.69517e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.42915988888567 (1.35511e-08% change) linmin: converged after 3 iterations. iteration 625: trace = 2.429159888529328 (1.46694e-08% change) linmin: converged after 2 iterations. iteration 626: trace = 2.42915988800726 (2.14917e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159887835717 (7.0618e-09% change) large trace change predicted (1.67644e-08%) linmin: converged after 21 iterations. iteration 628: trace = 2.42915988742849 (1.67641e-08% change) large trace change predicted (1.49533e-07%) linmin: converged after 3 iterations. iteration 629: trace = 2.429159883796028 (1.49536e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.429159883038646 (3.11788e-08% change) linmin: converged after 4 iterations. iteration 631: trace = 2.429159881622925 (5.82803e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159881236958 (1.58889e-08% change) linmin: converged after 4 iterations. iteration 633: trace = 2.429159880753894 (1.98861e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159880061657 (2.8497e-08% change) linmin: converged after 7 iterations. iteration 635: trace = 2.429159879702636 (1.47796e-08% change) linmin: converged after 6 iterations. iteration 636: trace = 2.429159879341687 (1.4859e-08% change) linmin: converged after 6 iterations. iteration 637: trace = 2.429159879034207 (1.26579e-08% change) linmin: converged after 31 iterations. iteration 638: trace = 2.429159878958209 (3.12858e-09% change) large trace change predicted (1.65259e-08%) linmin: converged after 6 iterations. iteration 639: trace = 2.429159878556769 (1.65259e-08% change) linmin: converged after 3 iterations. iteration 640: trace = 2.429159878234658 (1.32602e-08% change) linmin: converged after 11 iterations. iteration 641: trace = 2.42915987803354 (8.27933e-09% change) linmin: converged after 16 iterations. iteration 642: trace = 2.429159877639404 (1.62252e-08% change) linmin: converged after 12 iterations. iteration 643: trace = 2.429159877048272 (2.43348e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159876730426 (1.30846e-08% change) large trace change predicted (2.97486e-08%) linmin: converged after 4 iterations. iteration 645: trace = 2.429159876007781 (2.97488e-08% change) linmin: converged after 27 iterations. iteration 646: trace = 2.42915987547254 (2.2034e-08% change) linmin: converged after 6 iterations. iteration 647: trace = 2.429159875129366 (1.41273e-08% change) linmin: converged after 9 iterations. iteration 648: trace = 2.429159874455769 (2.77296e-08% change) linmin: converged after 5 iterations. iteration 649: trace = 2.42915987404839 (1.67704e-08% change) linmin: converged after 2 iterations. iteration 650: trace = 2.429159873754049 (1.2117e-08% change) large trace change predicted (2.64427e-08%) linmin: converged after 2 iterations. iteration 651: trace = 2.429159873111707 (2.6443e-08% change) linmin: converged after 12 iterations. iteration 652: trace = 2.429159872945354 (6.84816e-09% change) large trace change predicted (1.63505e-08%) linmin: converged after 4 iterations. iteration 653: trace = 2.429159872548171 (1.63506e-08% change) linmin: converged after 2 iterations. iteration 654: trace = 2.429159872291909 (1.05494e-08% change) linmin: converged after 14 iterations. iteration 655: trace = 2.429159872142755 (6.14015e-09% change) linmin: converged after 4 iterations. iteration 656: trace = 2.429159872109711 (1.3603e-09% change) large trace change predicted (7.79195e-09%) linmin: converged after 4 iterations. iteration 657: trace = 2.429159871920432 (7.79196e-09% change) linmin: converged after 10 iterations. iteration 658: trace = 2.429159871785886 (5.53879e-09% change) linmin: converged after 4 iterations. iteration 659: trace = 2.429159871654988 (5.38859e-09% change) large trace change predicted (1.08662e-08%) linmin: converged after 7 iterations. iteration 660: trace = 2.429159871391035 (1.08661e-08% change) linmin: converged after 14 iterations. iteration 661: trace = 2.429159871232291 (6.5349e-09% change) large trace change predicted (1.76444e-08%) linmin: converged after 4 iterations. iteration 662: trace = 2.429159870803683 (1.76443e-08% change) linmin: converged after 4 iterations. iteration 663: trace = 2.4291598704218 (1.57208e-08% change) linmin: converged after 8 iterations. iteration 664: trace = 2.429159870020711 (1.65114e-08% change) linmin: converged after 23 iterations. iteration 665: trace = 2.429159869830023 (7.84993e-09% change) large trace change predicted (2.02638e-08%) linmin: converged after 10 iterations. iteration 666: trace = 2.429159869337793 (2.02634e-08% change) linmin: converged after 4 iterations. iteration 667: trace = 2.429159869182738 (6.38306e-09% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159868933933 (1.02424e-08% change) linmin: converged after 11 iterations. iteration 669: trace = 2.429159868515784 (1.72138e-08% change) linmin: converged after 7 iterations. iteration 670: trace = 2.429159868347849 (6.91326e-09% change) large trace change predicted (1.93213e-08%) linmin: converged after 7 iterations. iteration 671: trace = 2.429159867878512 (1.9321e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.429159867572521 (1.25966e-08% change) linmin: converged after 6 iterations. iteration 673: trace = 2.429159867343999 (9.40745e-09% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159867301667 (1.74264e-09% change) large trace change predicted (7.32213e-09%) linmin: converged after 6 iterations. iteration 675: trace = 2.429159867123798 (7.32224e-09% change) linmin: converged after 11 iterations. iteration 676: trace = 2.429159867035079 (3.65226e-09% change) linmin: converged after 8 iterations. iteration 677: trace = 2.429159866976784 (2.39979e-09% change) large trace change predicted (7.8274e-09%) linmin: converged after 2 iterations. iteration 678: trace = 2.429159866786645 (7.82736e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159866748065 (1.58823e-09% change) large trace change predicted (7.75396e-09%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159866559707 (7.75405e-09% change) linmin: converged after 4 iterations. iteration 681: trace = 2.429159866448763 (4.56716e-09% change) linmin: converged after 8 iterations. iteration 682: trace = 2.429159866344309 (4.29998e-09% change) large trace change predicted (9.80644e-09%) linmin: converged after 24 iterations. iteration 683: trace = 2.429159866106096 (9.80639e-09% change) linmin: converged after 4 iterations. iteration 684: trace = 2.429159865737589 (1.51702e-08% change) linmin: converged after 11 iterations. iteration 685: trace = 2.429159865589282 (6.10529e-09% change) large trace change predicted (1.8134e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865148775 (1.81341e-08% change) linmin: converged after 9 iterations. iteration 687: trace = 2.42915986461645 (2.1914e-08% change) linmin: converged after 16 iterations. iteration 688: trace = 2.42915986451461 (4.19241e-09% change) large trace change predicted (1.29238e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.429159864200666 (1.29239e-08% change) linmin: converged after 6 iterations. iteration 690: trace = 2.429159864046436 (6.34914e-09% change) linmin: converged after 7 iterations. iteration 691: trace = 2.429159863975077 (2.93758e-09% change) large trace change predicted (1.13727e-08%) linmin: converged after 19 iterations. iteration 692: trace = 2.429159863698817 (1.13727e-08% change) linmin: converged after 14 iterations. iteration 693: trace = 2.429159863467031 (9.54182e-09% change) linmin: converged after 17 iterations. iteration 694: trace = 2.42915986339394 (3.00889e-09% change) large trace change predicted (9.0694e-09%) linmin: converged after 6 iterations. iteration 695: trace = 2.42915986317363 (9.06941e-09% change) linmin: converged after 7 iterations. iteration 696: trace = 2.429159863067169 (4.38261e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.429159863000426 (2.74758e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159862869274 (5.39907e-09% change) linmin: converged after 15 iterations. iteration 699: trace = 2.429159862841849 (1.129e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159862817324 (1.0096e-09% change) large trace change predicted (4.41441e-09%) linmin: converged after 4 iterations. iteration 701: trace = 2.429159862710093 (4.41433e-09% change) linmin: converged after 7 iterations. iteration 702: trace = 2.429159862671657 (1.58229e-09% change) large trace change predicted (3.42792e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159862588381 (3.42817e-09% change) large trace change predicted (7.0267e-09%) linmin: converged after 5 iterations. iteration 704: trace = 2.429159862417694 (7.02659e-09% change) linmin: converged after 31 iterations. iteration 705: trace = 2.429159862299705 (4.8572e-09% change) linmin: converged after 21 iterations. iteration 706: trace = 2.429159862217822 (3.37083e-09% change) large trace change predicted (9.61264e-09%) linmin: converged after 7 iterations. iteration 707: trace = 2.429159861984319 (9.6125e-09% change) linmin: converged after 5 iterations. iteration 708: trace = 2.429159861910836 (3.02504e-09% change) large trace change predicted (6.39403e-09%) linmin: converged after 5 iterations. iteration 709: trace = 2.429159861755516 (6.39399e-09% change) linmin: converged after 32 iterations. iteration 710: trace = 2.429159861568509 (7.6984e-09% change) linmin: converged after 5 iterations. iteration 711: trace = 2.429159861446432 (5.0255e-09% change) linmin: converged after 5 iterations. iteration 712: trace = 2.4291598613165 (5.34883e-09% change) large trace change predicted (1.40112e-08%) linmin: converged after 4 iterations. iteration 713: trace = 2.429159860976155 (1.40108e-08% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159860905781 (2.89705e-09% change) large trace change predicted (1.26274e-08%) linmin: converged after 6 iterations. iteration 715: trace = 2.429159860599047 (1.26271e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.42915986043266 (6.84958e-09% change) linmin: converged after 9 iterations. iteration 717: trace = 2.429159860391763 (1.68357e-09% change) large trace change predicted (4.29243e-09%) linmin: converged after 17 iterations. iteration 718: trace = 2.429159860287493 (4.29246e-09% change) linmin: converged after 8 iterations. iteration 719: trace = 2.42915986019017 (4.00645e-09% change) linmin: converged after 13 iterations. iteration 720: trace = 2.429159860169502 (8.50807e-10% change) large trace change predicted (2.70274e-09%) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860103848 (2.70275e-09% change) linmin: converged after 15 iterations. iteration 722: trace = 2.429159860054798 (2.01922e-09% change) linmin: converged after 7 iterations. iteration 723: trace = 2.429159860031161 (9.73056e-10% change) large trace change predicted (3.96993e-09%) linmin: converged after 6 iterations. iteration 724: trace = 2.429159859934724 (3.96996e-09% change) linmin: converged after 15 iterations. iteration 725: trace = 2.429159859900426 (1.41192e-09% change) linmin: converged after 16 iterations. iteration 726: trace = 2.429159859833863 (2.74017e-09% change) linmin: converged after 4 iterations. iteration 727: trace = 2.429159859717016 (4.81018e-09% change) linmin: converged after 5 iterations. iteration 728: trace = 2.429159859612486 (4.30312e-09% change) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859518859 (3.85433e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859344885 (7.16187e-09% change) linmin: converged after 33 iterations. iteration 731: trace = 2.429159859160336 (7.59725e-09% change) linmin: converged after 14 iterations. iteration 732: trace = 2.429159859108275 (2.14317e-09% change) large trace change predicted (5.2769e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.42915985898009 (5.27695e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159858883916 (3.95912e-09% change) linmin: converged after 19 iterations. iteration 735: trace = 2.429159858817774 (2.72286e-09% change) linmin: converged after 25 iterations. iteration 736: trace = 2.429159858694342 (5.08124e-09% change) linmin: converged after 8 iterations. iteration 737: trace = 2.429159858540137 (6.3481e-09% change) linmin: converged after 19 iterations. iteration 738: trace = 2.429159858509353 (1.26726e-09% change) large trace change predicted (3.66781e-09%) linmin: converged after 19 iterations. iteration 739: trace = 2.429159858420257 (3.66775e-09% change) linmin: converged after 18 iterations. iteration 740: trace = 2.429159858389306 (1.27417e-09% change) linmin: converged after 15 iterations. iteration 741: trace = 2.429159858356002 (1.37099e-09% change) linmin: converged after 5 iterations. iteration 742: trace = 2.42915985830757 (1.99377e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858285608 (9.04098e-10% change) linmin: converged after 16 iterations. iteration 744: trace = 2.429159858267683 (7.37918e-10% change) large trace change predicted (2.52462e-09%) linmin: converged after 5 iterations. iteration 745: trace = 2.429159858206351 (2.52483e-09% change) linmin: converged after 7 iterations. iteration 746: trace = 2.42915985819415 (5.02269e-10% change) large trace change predicted (4.06531e-09%) linmin: converged after 16 iterations. iteration 747: trace = 2.429159858095398 (4.06526e-09% change) linmin: converged after 4 iterations. iteration 748: trace = 2.429159858022407 (3.0048e-09% change) large trace change predicted (6.3672e-09%) linmin: converged after 9 iterations. iteration 749: trace = 2.429159857867736 (6.36724e-09% change) linmin: converged after 16 iterations. iteration 750: trace = 2.429159857827281 (1.6654e-09% change) large trace change predicted (6.23167e-09%) linmin: converged after 6 iterations. iteration 751: trace = 2.429159857675906 (6.23157e-09% change) linmin: converged after 6 iterations. iteration 752: trace = 2.429159857563191 (4.64011e-09% change) linmin: converged after 6 iterations. iteration 753: trace = 2.429159857502253 (2.50856e-09% change) large trace change predicted (5.60543e-09%) linmin: converged after 24 iterations. iteration 754: trace = 2.429159857366087 (5.6055e-09% change) linmin: converged after 6 iterations. iteration 755: trace = 2.429159857333167 (1.35518e-09% change) large trace change predicted (3.08164e-09%) linmin: converged after 2 iterations. iteration 756: trace = 2.429159857258312 (3.08155e-09% change) linmin: converged after 7 iterations. iteration 757: trace = 2.429159857196233 (2.55557e-09% change) linmin: converged after 18 iterations. iteration 758: trace = 2.429159857139626 (2.3303e-09% change) linmin: converged after 22 iterations. iteration 759: trace = 2.429159857098365 (1.6986e-09% change) linmin: converged after 16 iterations. iteration 760: trace = 2.429159857034882 (2.61335e-09% change) linmin: converged after 4 iterations. iteration 761: trace = 2.429159857016957 (7.37918e-10% change) linmin: converged after 4 iterations. iteration 762: trace = 2.429159856987269 (1.22216e-09% change) linmin: converged after 17 iterations. iteration 763: trace = 2.429159856932958 (2.23578e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985691513 (7.33896e-10% change) large trace change predicted (3.37889e-09%) linmin: converged after 6 iterations. iteration 765: trace = 2.429159856833055 (3.37875e-09% change) linmin: converged after 12 iterations. iteration 766: trace = 2.429159856776765 (2.31725e-09% change) linmin: converged after 7 iterations. iteration 767: trace = 2.429159856742263 (1.42033e-09% change) large trace change predicted (6.3265e-09%) linmin: converged after 2 iterations. iteration 768: trace = 2.429159856588583 (6.32649e-09% change) linmin: converged after 5 iterations. iteration 769: trace = 2.429159856521711 (2.75286e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 770: trace = 2.429159856465041 (2.33293e-09% change) linmin: converged after 5 iterations. iteration 771: trace = 2.429159856358117 (4.40166e-09% change) linmin: converged after 28 iterations. iteration 772: trace = 2.429159856321537 (1.50587e-09% change) linmin: converged after 29 iterations. iteration 773: trace = 2.429159856298917 (9.31173e-10% change) large trace change predicted (3.32488e-09%) linmin: converged after 14 iterations. iteration 774: trace = 2.42915985621815 (3.32493e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856197543 (8.48284e-10% change) large trace change predicted (2.18775e-09%) linmin: converged after 3 iterations. iteration 776: trace = 2.429159856144396 (2.18789e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.429159856113923 (1.25446e-09% change) linmin: converged after 4 iterations. iteration 778: trace = 2.429159856105955 (3.28008e-10% change) large trace change predicted (1.34596e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856073258 (1.34604e-09% change) linmin: converged after 9 iterations. iteration 780: trace = 2.429159856046637 (1.09591e-09% change) linmin: converged after 3 iterations. iteration 781: trace = 2.429159856034334 (5.06455e-10% change) large trace change predicted (1.81928e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.429159855990141 (1.81926e-09% change) linmin: converged after 19 iterations. iteration 783: trace = 2.429159855942319 (1.96869e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159855917947 (1.00328e-09% change) large trace change predicted (2.94489e-09%) linmin: converged after 5 iterations. iteration 785: trace = 2.429159855846413 (2.94484e-09% change) linmin: converged after 17 iterations. iteration 786: trace = 2.429159855807143 (1.61659e-09% change) linmin: converged after 18 iterations. iteration 787: trace = 2.429159855781426 (1.05871e-09% change) large trace change predicted (4.05376e-09%) linmin: converged after 4 iterations. iteration 788: trace = 2.429159855682951 (4.05385e-09% change) linmin: converged after 18 iterations. iteration 789: trace = 2.429159855659141 (9.80186e-10% change) large trace change predicted (2.23559e-09%) linmin: converged after 7 iterations. iteration 790: trace = 2.429159855604836 (2.23555e-09% change) linmin: converged after 17 iterations. iteration 791: trace = 2.429159855555326 (2.03816e-09% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855544709 (4.3704e-10% change) large trace change predicted (1.50107e-09%) linmin: converged after 28 iterations. iteration 793: trace = 2.429159855508243 (1.50118e-09% change) linmin: converged after 17 iterations. iteration 794: trace = 2.429159855487035 (8.73056e-10% change) linmin: converged after 9 iterations. iteration 795: trace = 2.429159855460267 (1.10194e-09% change) linmin: converged after 10 iterations. iteration 796: trace = 2.429159855457197 (1.26381e-10% change) large trace change predicted (8.69335e-10%) linmin: converged after 23 iterations. iteration 797: trace = 2.429159855436085 (8.69125e-10% change) linmin: converged after 4 iterations. iteration 798: trace = 2.429159855425723 (4.26583e-10% change) linmin: converged after 11 iterations. iteration 799: trace = 2.429159855418599 (2.93255e-10% change) large trace change predicted (1.01055e-09%) linmin: converged after 9 iterations. iteration 800: trace = 2.429159855394055 (1.01037e-09% change) linmin: converged after 23 iterations. iteration 801: trace = 2.429159855354492 (1.62869e-09% change) linmin: converged after 4 iterations. iteration 802: trace = 2.429159855339087 (6.3417e-10% change) large trace change predicted (1.58762e-09%) linmin: converged after 27 iterations. iteration 803: trace = 2.429159855300523 (1.58756e-09% change) linmin: converged after 26 iterations. iteration 804: trace = 2.429159855239667 (2.5052e-09% change) linmin: converged after 19 iterations. iteration 805: trace = 2.429159855229303 (4.26674e-10% change) large trace change predicted (1.60593e-09%) linmin: converged after 7 iterations. iteration 806: trace = 2.429159855190296 (1.60578e-09% change) linmin: converged after 9 iterations. iteration 807: trace = 2.429159855164364 (1.06752e-09% change) linmin: converged after 4 iterations. iteration 808: trace = 2.4291598551539 (4.30769e-10% change) large trace change predicted (1.9215e-09%) linmin: converged after 30 iterations. iteration 809: trace = 2.429159855107222 (1.92156e-09% change) linmin: converged after 25 iterations. iteration 810: trace = 2.429159855072568 (1.42659e-09% change) linmin: converged after 19 iterations. iteration 811: trace = 2.429159855051487 (8.67827e-10% change) linmin: converged after 5 iterations. iteration 812: trace = 2.429159855019166 (1.33055e-09% change) linmin: converged after 4 iterations. iteration 813: trace = 2.42915985500638 (5.26345e-10% change) linmin: converged after 18 iterations. iteration 814: trace = 2.429159854993845 (5.16035e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159854979437 (5.93128e-10% change) linmin: converged after 3 iterations. iteration 816: trace = 2.42915985497046 (3.69526e-10% change) linmin: converged after 15 iterations. iteration 817: trace = 2.429159854962464 (3.29178e-10% change) large trace change predicted (6.97686e-10%) linmin: converged after 3 iterations. iteration 818: trace = 2.429159854945522 (6.97461e-10% change) linmin: converged after 18 iterations. iteration 819: trace = 2.429159854942891 (1.083e-10% change) large trace change predicted (6.75402e-10%) linmin: converged after 3 iterations. iteration 820: trace = 2.429159854926489 (6.75194e-10% change) linmin: converged after 12 iterations. iteration 821: trace = 2.429159854914258 (5.03512e-10% change) linmin: converged after 18 iterations. iteration 822: trace = 2.429159854909535 (1.94425e-10% change) large trace change predicted (1.18364e-09%) linmin: converged after 12 iterations. iteration 823: trace = 2.429159854880787 (1.18348e-09% change) linmin: converged after 12 iterations. iteration 824: trace = 2.429159854858846 (9.03221e-10% change) linmin: converged after 15 iterations. iteration 825: trace = 2.429159854831322 (1.13306e-09% change) linmin: converged after 6 iterations. iteration 826: trace = 2.429159854791128 (1.65465e-09% change) linmin: converged after 7 iterations. iteration 827: trace = 2.429159854748298 (1.76317e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854717928 (1.25024e-09% change) linmin: converged after 6 iterations. iteration 829: trace = 2.429159854700446 (7.19655e-10% change) linmin: converged after 21 iterations. iteration 830: trace = 2.429159854684589 (6.52781e-10% change) linmin: converged after 4 iterations. iteration 831: trace = 2.429159854656265 (1.166e-09% change) linmin: converged after 17 iterations. iteration 832: trace = 2.429159854650829 (2.23803e-10% change) large trace change predicted (1.01319e-09%) linmin: converged after 7 iterations. iteration 833: trace = 2.429159854626223 (1.01295e-09% change) linmin: converged after 4 iterations. iteration 834: trace = 2.42915985460857 (7.26675e-10% change) linmin: converged after 3 iterations. iteration 835: trace = 2.429159854601671 (2.84041e-10% change) linmin: converged after 14 iterations. iteration 836: trace = 2.429159854589374 (5.06217e-10% change) linmin: converged after 3 iterations. iteration 837: trace = 2.429159854584687 (1.92926e-10% change) linmin: converged after 2 iterations. iteration 838: trace = 2.429159854576523 (3.36107e-10% change) linmin: converged after 16 iterations. iteration 839: trace = 2.429159854568384 (3.35047e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.42915985456455 (1.57825e-10% change) linmin: converged after 4 iterations. iteration 841: trace = 2.429159854559047 (2.26546e-10% change) linmin: converged after 3 iterations. iteration 842: trace = 2.429159854550802 (3.39398e-10% change) linmin: converged after 19 iterations. iteration 843: trace = 2.429159854547918 (1.18721e-10% change) large trace change predicted (4.5065e-10%) linmin: converged after 3 iterations. iteration 844: trace = 2.429159854536973 (4.50605e-10% change) linmin: converged after 24 iterations. iteration 845: trace = 2.429159854522967 (5.76547e-10% change) linmin: converged after 6 iterations. iteration 846: trace = 2.429159854517335 (2.31865e-10% change) large trace change predicted (9.61058e-10%) linmin: converged after 12 iterations. iteration 847: trace = 2.429159854493989 (9.61064e-10% change) linmin: converged after 10 iterations. iteration 848: trace = 2.42915985448577 (3.38338e-10% change) linmin: converged after 6 iterations. iteration 849: trace = 2.429159854473306 (5.1311e-10% change) linmin: converged after 4 iterations. iteration 850: trace = 2.429159854457098 (6.67223e-10% change) linmin: converged after 4 iterations. iteration 851: trace = 2.429159854447013 (4.15175e-10% change) linmin: converged after 22 iterations. iteration 852: trace = 2.429159854430041 (6.98668e-10% change) linmin: converged after 4 iterations. iteration 853: trace = 2.429159854401489 (1.17538e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.429159854394316 (2.95321e-10% change) large trace change predicted (1.01136e-09%) linmin: converged after 4 iterations. iteration 855: trace = 2.429159854369746 (1.01145e-09% change) linmin: converged after 15 iterations. iteration 856: trace = 2.429159854356542 (5.43548e-10% change) linmin: converged after 11 iterations. iteration 857: trace = 2.429159854344461 (4.97351e-10% change) linmin: converged after 8 iterations. iteration 858: trace = 2.429159854327901 (6.81702e-10% change) linmin: converged after 6 iterations. iteration 859: trace = 2.429159854322308 (2.30257e-10% change) linmin: converged after 3 iterations. iteration 860: trace = 2.429159854318657 (1.50275e-10% change) linmin: converged after 9 iterations. iteration 861: trace = 2.429159854311619 (2.89745e-10% change) linmin: converged after 6 iterations. iteration 862: trace = 2.429159854304627 (2.87825e-10% change) linmin: converged after 18 iterations. iteration 863: trace = 2.429159854303058 (6.45889e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 6.6189680099487305 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380124304858 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422813957853151 (0.435162% change) linmin: converged after 3 iterations. iteration 3: trace = 2.410436460818315 (0.512181% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737472281081 (0.23671% change) linmin: converged after 3 iterations. iteration 5: trace = 2.402921431695999 (0.0755478% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560348970514 (0.0566589% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273601112772 (0.0119408% change) large trace change predicted (0.0255597%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660422396954 (0.0255388% change) linmin: converged after 5 iterations. iteration 9: trace = 2.400394211407274 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303524499693 (0.00377807% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130152425029 (0.00722318% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008392599004 (0.00507318% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912583051916 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.39966612549191 (0.01027% change) linmin: converged after 3 iterations. iteration 15: trace = 2.39955686513503 (0.00455325% change) linmin: converged after 4 iterations. iteration 16: trace = 2.39937188603231 (0.00770918% change) linmin: converged after 4 iterations. iteration 17: trace = 2.399289072781011 (0.00345151% change) large trace change predicted (0.00782297%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101348936375 (0.00782445% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879563092243 (0.00924497% change) linmin: converged after 5 iterations. iteration 20: trace = 2.398649870205137 (0.00957547% change) large trace change predicted (0.0239454%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075268259338 (0.0239581% change) linmin: converged after 5 iterations. iteration 22: trace = 2.397887110182702 (0.00784652% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522294775239 (0.0152152% change) linmin: converged after 3 iterations. iteration 24: trace = 2.397281812088585 (0.010031% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981261499935 (0.0125379% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715626520207 (0.0110827% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618613907926 (0.00404781% change) large trace change predicted (0.0090078%) linmin: converged after 3 iterations. iteration 28: trace = 2.396402847978432 (0.00900334% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349175741548 (0.00223973% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256438116035 (0.00387003% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207645812547 (0.00203621% change) linmin: converged after 3 iterations. iteration 32: trace = 2.396167649113405 (0.00166918% change) large trace change predicted (0.00396802%) linmin: converged after 3 iterations. iteration 33: trace = 2.396072575763294 (0.0039678% change) linmin: converged after 14 iterations. iteration 34: trace = 2.396038774671857 (0.0014107% change) large trace change predicted (0.00652603%) linmin: converged after 12 iterations. iteration 35: trace = 2.395882463430421 (0.00652395% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832662700395 (0.00207862% change) large trace change predicted (0.00897499%) linmin: converged after 4 iterations. iteration 37: trace = 2.39561764812327 (0.00897493% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533905922083 (0.0034957% change) large trace change predicted (0.00705095%) linmin: converged after 4 iterations. iteration 39: trace = 2.39536495615372 (0.00705295% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255837403923 (0.00455552% change) linmin: converged after 5 iterations. iteration 41: trace = 2.395086666506282 (0.007063% change) linmin: converged after 7 iterations. iteration 42: trace = 2.395028266342813 (0.00243836% change) large trace change predicted (0.00633162%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876564762501 (0.00633422% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823822640608 (0.00220231% change) large trace change predicted (0.00784706%) linmin: converged after 4 iterations. iteration 45: trace = 2.39463588748624 (0.00784786% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551771201341 (0.00351276% change) large trace change predicted (0.00730796%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376648056848 (0.00731367% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320482220912 (0.00234577% change) large trace change predicted (0.00692652%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154609450363 (0.006928% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120835153223 (0.00141071% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082495560068 (0.00160142% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061913868271 (0.000859694% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035881744374 (0.00108737% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025507486848 (0.000433339% change) large trace change predicted (0.0010626%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000059486189 (0.00106299% change) linmin: converged after 5 iterations. iteration 56: trace = 2.393990088808856 (0.000416487% change) large trace change predicted (0.00146991%) linmin: converged after 3 iterations. iteration 57: trace = 2.393954902035357 (0.00146981% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941205589446 (0.000572128% change) large trace change predicted (0.00230758%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885961363607 (0.0023077% change) linmin: converged after 7 iterations. iteration 60: trace = 2.393857234377875 (0.00120002% change) large trace change predicted (0.0035278%) linmin: converged after 8 iterations. iteration 61: trace = 2.393772843716319 (0.00352536% change) linmin: converged after 4 iterations. iteration 62: trace = 2.393670914591524 (0.00425819% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605496480592 (0.002733% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393487963094304 (0.00491043% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448290672057 (0.00165753% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405497798788 (0.00178793% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393388072851804 (0.000728043% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359854223333 (0.00117903% change) linmin: converged after 4 iterations. iteration 69: trace = 2.393348483527521 (0.000475095% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343837015129 (0.000194143% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336363523268 (0.000312262% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333598170835 (0.000115544% change) linmin: converged after 3 iterations. iteration 73: trace = 2.393329150054836 (0.000185855% change) large trace change predicted (0.000414728%) linmin: converged after 4 iterations. iteration 74: trace = 2.39331922399139 (0.00041474% change) linmin: converged after 5 iterations. iteration 75: trace = 2.39331596569077 (0.000136142% change) large trace change predicted (0.000439215%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305453764279 (0.000439221% change) linmin: converged after 6 iterations. iteration 77: trace = 2.393296687312429 (0.000366291% change) linmin: converged after 4 iterations. iteration 78: trace = 2.39329144496132 (0.000219043% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393281124540538 (0.000431224% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393276815440569 (0.00018005% change) large trace change predicted (0.000404501%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267130640572 (0.000404668% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257359773369 (0.000408266% change) large trace change predicted (0.000854188%) linmin: converged after 4 iterations. iteration 83: trace = 2.3932369192801 (0.00085409% change) linmin: converged after 5 iterations. iteration 84: trace = 2.393229557837127 (0.000307594% change) large trace change predicted (0.00100509%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205497878049 (0.00100534% change) linmin: converged after 6 iterations. iteration 86: trace = 2.39319866014741 (0.000285715% change) large trace change predicted (0.000600605%) linmin: converged after 7 iterations. iteration 87: trace = 2.393184288761997 (0.000600511% change) linmin: converged after 5 iterations. iteration 88: trace = 2.393180115500064 (0.000174381% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172859481532 (0.000303196% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169669565756 (0.000133292% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393167343778703 (9.71844e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163700408488 (0.000152241% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162870254576 (3.46886e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 2.393161240938619 (6.80821e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159489493315 (7.31855e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 2.393158673817102 (3.40837e-05% change) large trace change predicted (8.56565e-05%) linmin: converged after 4 iterations. iteration 97: trace = 2.393156623982363 (8.5654e-05% change) linmin: converged after 5 iterations. iteration 98: trace = 2.393155251294039 (5.73589e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393154249135244 (4.18761e-05% change) large trace change predicted (0.000112009%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151568307313 (0.000112021% change) linmin: converged after 3 iterations. iteration 101: trace = 2.393149956347883 (6.73572e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393149015277626 (3.93235e-05% change) large trace change predicted (0.000107678%) linmin: converged after 5 iterations. iteration 103: trace = 2.393146438660454 (0.000107666% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393144081994803 (9.84757e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.39314308725204 (4.15664e-05% change) linmin: converged after 5 iterations. iteration 106: trace = 2.39314123328104 (7.74702e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138508263703 (0.000113868% change) linmin: converged after 3 iterations. iteration 108: trace = 2.393137240529313 (5.29737e-05% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393135806331574 (5.99296e-05% change) large trace change predicted (0.000129686%) linmin: converged after 3 iterations. iteration 110: trace = 2.393132703114377 (0.000129672% change) linmin: converged after 4 iterations. iteration 111: trace = 2.393130663063717 (8.52461e-05% change) linmin: converged after 2 iterations. iteration 112: trace = 2.393129702053291 (4.0157e-05% change) linmin: converged after 6 iterations. iteration 113: trace = 2.393127897284498 (7.54146e-05% change) linmin: converged after 2 iterations. iteration 114: trace = 2.393124696485005 (0.00013375% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122847811564 (7.72494e-05% change) linmin: converged after 2 iterations. iteration 116: trace = 2.393121444970771 (5.86197e-05% change) large trace change predicted (0.000135312%) linmin: converged after 4 iterations. iteration 117: trace = 2.393118206905052 (0.000135307% change) linmin: converged after 4 iterations. iteration 118: trace = 2.393114161332663 (0.00016905% change) linmin: converged after 6 iterations. iteration 119: trace = 2.393112369885688 (7.48584e-05% change) linmin: converged after 3 iterations. iteration 120: trace = 2.393110881531944 (6.21932e-05% change) large trace change predicted (0.000132911%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107700593636 (0.000132921% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104608047903 (0.000129227% change) linmin: converged after 5 iterations. iteration 123: trace = 2.393103244517627 (5.69775e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.393101749584581 (6.24684e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.39309881874507 (0.00012247% change) linmin: converged after 4 iterations. iteration 126: trace = 2.393096741782611 (8.67897e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 2.393095822111325 (3.84302e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 2.39309447002076 (5.64997e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393092157224396 (9.66446e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090972916624 (4.94886e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.393090426793293 (2.28208e-05% change) linmin: converged after 5 iterations. iteration 132: trace = 2.393089501967232 (3.86457e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.393088413822471 (4.54703e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 2.393088020957876 (1.64166e-05% change) linmin: converged after 4 iterations. iteration 135: trace = 2.393087780942407 (1.00295e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087334153206 (1.867e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.39308697399356 (1.505e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086796042441 (7.43605e-06% change) linmin: converged after 2 iterations. iteration 139: trace = 2.39308644358759 (1.4728e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085964419358 (2.0023e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.39308558578386 (1.58221e-05% change) large trace change predicted (3.70996e-05%) linmin: converged after 2 iterations. iteration 142: trace = 2.393084697946854 (3.71001e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083967712773 (3.05143e-05% change) large trace change predicted (9.09158e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081791888724 (9.09214e-05% change) linmin: converged after 4 iterations. iteration 145: trace = 2.393081047511928 (3.11054e-05% change) large trace change predicted (9.54116e-05%) linmin: converged after 2 iterations. iteration 146: trace = 2.393078764001862 (9.54214e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.393076685508733 (8.68544e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.393075978680122 (2.95364e-05% change) large trace change predicted (7.78024e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.393074116903839 (7.77985e-05% change) linmin: converged after 4 iterations. iteration 150: trace = 2.393073006262979 (4.64106e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.393072409379019 (2.49422e-05% change) large trace change predicted (6.27636e-05%) linmin: converged after 2 iterations. iteration 152: trace = 2.393070907251873 (6.27698e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.393070514675967 (1.64047e-05% change) large trace change predicted (4.71186e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393069387069712 (4.71197e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393069064685406 (1.34716e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 2.393068498408129 (2.36632e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067869936071 (2.62622e-05% change) linmin: converged after 5 iterations. iteration 158: trace = 2.393067640499179 (9.58756e-06% change) large trace change predicted (2.99995e-05%) linmin: converged after 4 iterations. iteration 159: trace = 2.393066922607111 (2.99988e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.393066760488533 (6.77451e-06% change) large trace change predicted (2.34839e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.393066198531526 (2.34827e-05% change) linmin: converged after 2 iterations. iteration 162: trace = 2.393065959542484 (9.98673e-06% change) large trace change predicted (3.04881e-05%) linmin: converged after 19 iterations. iteration 163: trace = 2.393065229947614 (3.04879e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.393064297196831 (3.89772e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063832751709 (1.9408e-05% change) large trace change predicted (9.00171e-05%) linmin: converged after 2 iterations. iteration 166: trace = 2.393061678473331 (9.00218e-05% change) linmin: converged after 5 iterations. iteration 167: trace = 2.393061021480222 (2.74541e-05% change) large trace change predicted (0.000104522%) linmin: converged after 2 iterations. iteration 168: trace = 2.393058520143947 (0.000104525% change) linmin: converged after 24 iterations. iteration 169: trace = 2.393057709799858 (3.38623e-05% change) large trace change predicted (7.10287e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393056009967242 (7.10319e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.393055120382709 (3.71736e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.39305443009403 (2.88455e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.393053481007506 (3.96601e-05% change) linmin: converged after 4 iterations. iteration 174: trace = 2.393053249749623 (9.66372e-06% change) large trace change predicted (3.40476e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.393052435010141 (3.4046e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.393052257800338 (7.40518e-06% change) large trace change predicted (2.80986e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.393051585401067 (2.8098e-05% change) linmin: converged after 2 iterations. iteration 178: trace = 2.393051363984962 (9.25246e-06% change) linmin: converged after 3 iterations. iteration 179: trace = 2.393051107935718 (1.06997e-05% change) linmin: converged after 2 iterations. iteration 180: trace = 2.393050898043621 (8.7709e-06% change) linmin: converged after 21 iterations. iteration 181: trace = 2.393050814413328 (3.49471e-06% change) linmin: converged after 3 iterations. iteration 182: trace = 2.39305067552257 (5.80392e-06% change) linmin: converged after 6 iterations. iteration 183: trace = 2.393050623327516 (2.18111e-06% change) large trace change predicted (9.06864e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.393050406299146 (9.06911e-06% change) linmin: converged after 5 iterations. iteration 185: trace = 2.393050207172795 (8.32103e-06% change) large trace change predicted (2.73197e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049553444872 (2.73178e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393049227524117 (1.36195e-05% change) large trace change predicted (3.88734e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.393048297279782 (3.88728e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.393047699063402 (2.49981e-05% change) large trace change predicted (5.02132e-05%) linmin: converged after 4 iterations. iteration 190: trace = 2.393046497495106 (5.02108e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045748889198 (3.12826e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044915937652 (3.48072e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044047539084 (3.62884e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.393043875749431 (7.17871e-06% change) large trace change predicted (1.50576e-05%) linmin: converged after 2 iterations. iteration 195: trace = 2.393043515402682 (1.50581e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.393043462927638 (2.19282e-06% change) large trace change predicted (4.43053e-06%) linmin: converged after 2 iterations. iteration 197: trace = 2.393043356901575 (4.4306e-06% change) linmin: converged after 5 iterations. iteration 198: trace = 2.393043311784036 (1.88536e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043276761168 (1.46353e-06% change) large trace change predicted (3.49352e-06%) linmin: converged after 2 iterations. iteration 200: trace = 2.393043193159225 (3.49354e-06% change) linmin: converged after 8 iterations. iteration 201: trace = 2.39304316328524 (1.24837e-06% change) large trace change predicted (4.2649e-06%) linmin: converged after 20 iterations. iteration 202: trace = 2.39304306122494 (4.26488e-06% change) linmin: converged after 2 iterations. iteration 203: trace = 2.39304295381029 (4.48862e-06% change) linmin: converged after 3 iterations. iteration 204: trace = 2.39304284163176 (4.68769e-06% change) linmin: converged after 2 iterations. iteration 205: trace = 2.393042696903165 (6.04789e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042617994168 (3.29743e-06% change) linmin: converged after 2 iterations. iteration 207: trace = 2.393042511897021 (4.43357e-06% change) linmin: converged after 2 iterations. iteration 208: trace = 2.393042426723516 (3.55921e-06% change) linmin: converged after 11 iterations. iteration 209: trace = 2.39304230116735 (5.24672e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.393042226468239 (3.12151e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.393042168183205 (2.4356e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042100191334 (2.84123e-06% change) linmin: converged after 10 iterations. iteration 213: trace = 2.393042061999979 (1.59593e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393041992212131 (2.91628e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.393041942118815 (2.09329e-06% change) linmin: converged after 26 iterations. iteration 216: trace = 2.393041906870438 (1.47295e-06% change) linmin: converged after 6 iterations. iteration 217: trace = 2.393041867868708 (1.6298e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.393041859358093 (3.5564e-07% change) large trace change predicted (8.75587e-07%) linmin: converged after 2 iterations. iteration 219: trace = 2.393041838404728 (8.75595e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041820457918 (7.49958e-07% change) linmin: converged after 17 iterations. iteration 221: trace = 2.39304181176659 (3.63192e-07% change) large trace change predicted (9.76316e-07%) linmin: converged after 2 iterations. iteration 222: trace = 2.393041788402952 (9.76316e-07% change) linmin: converged after 4 iterations. iteration 223: trace = 2.393041774878442 (5.6516e-07% change) large trace change predicted (2.14019e-06%) linmin: converged after 21 iterations. iteration 224: trace = 2.393041723663142 (2.14018e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041671887843 (2.16358e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041603467304 (2.85915e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.393041515230374 (3.68723e-06% change) linmin: converged after 2 iterations. iteration 228: trace = 2.393041482455889 (1.36957e-06% change) large trace change predicted (2.98102e-06%) linmin: converged after 2 iterations. iteration 229: trace = 2.393041411117911 (2.98106e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.393041361388025 (2.0781e-06% change) linmin: converged after 14 iterations. iteration 231: trace = 2.393041330586436 (1.28713e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393041295243412 (1.47691e-06% change) linmin: converged after 8 iterations. iteration 233: trace = 2.393041278864061 (6.84458e-07% change) linmin: converged after 2 iterations. iteration 234: trace = 2.393041257500504 (8.92737e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041246889093 (4.43428e-07% change) linmin: converged after 3 iterations. iteration 236: trace = 2.3930412310829 (6.60507e-07% change) linmin: converged after 2 iterations. iteration 237: trace = 2.393041215897756 (6.34554e-07% change) linmin: converged after 6 iterations. iteration 238: trace = 2.393041208005772 (3.29789e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 2.393041193308563 (6.14164e-07% change) linmin: converged after 3 iterations. iteration 240: trace = 2.393041188389303 (2.05565e-07% change) large trace change predicted (6.52311e-07%) linmin: converged after 3 iterations. iteration 241: trace = 2.393041172779269 (6.52309e-07% change) linmin: converged after 22 iterations. iteration 242: trace = 2.393041160100434 (5.29821e-07% change) linmin: converged after 3 iterations. iteration 243: trace = 2.39304114899997 (4.63864e-07% change) large trace change predicted (1.29682e-06%) linmin: converged after 2 iterations. iteration 244: trace = 2.393041117966356 (1.29683e-06% change) linmin: converged after 10 iterations. iteration 245: trace = 2.393041107350222 (4.43625e-07% change) large trace change predicted (2.50813e-06%) linmin: converged after 2 iterations. iteration 246: trace = 2.393041047329311 (2.50814e-06% change) linmin: converged after 23 iterations. iteration 247: trace = 2.393041020536951 (1.11959e-06% change) large trace change predicted (4.42269e-06%) linmin: converged after 3 iterations. iteration 248: trace = 2.393040914700689 (4.42267e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.393040855022179 (2.49384e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040748463542 (4.45286e-06% change) linmin: converged after 16 iterations. iteration 251: trace = 2.393040710358679 (1.59232e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.393040643295781 (2.80241e-06% change) linmin: converged after 2 iterations. iteration 253: trace = 2.39304061423221 (1.2145e-06% change) linmin: converged after 2 iterations. iteration 254: trace = 2.393040598418901 (6.60804e-07% change) linmin: converged after 2 iterations. iteration 255: trace = 2.393040577851683 (8.5946e-07% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040572705137 (2.15063e-07% change) large trace change predicted (4.77152e-07%) linmin: converged after 3 iterations. iteration 257: trace = 2.393040561286761 (4.77149e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040557290889 (1.66979e-07% change) large trace change predicted (3.67111e-07%) linmin: converged after 4 iterations. iteration 259: trace = 2.393040548505703 (3.67114e-07% change) linmin: converged after 9 iterations. iteration 260: trace = 2.393040544262423 (1.77318e-07% change) large trace change predicted (3.91366e-07%) linmin: converged after 3 iterations. iteration 261: trace = 2.393040534896974 (3.91362e-07% change) linmin: converged after 2 iterations. iteration 262: trace = 2.393040521294636 (5.68412e-07% change) linmin: converged after 4 iterations. iteration 263: trace = 2.393040516174779 (2.13948e-07% change) large trace change predicted (7.08643e-07%) linmin: converged after 2 iterations. iteration 264: trace = 2.393040499216496 (7.0865e-07% change) linmin: converged after 4 iterations. iteration 265: trace = 2.393040491737621 (3.12526e-07% change) large trace change predicted (7.22952e-07%) linmin: converged after 27 iterations. iteration 266: trace = 2.393040474437362 (7.22941e-07% change) linmin: converged after 3 iterations. iteration 267: trace = 2.393040462744822 (4.88606e-07% change) linmin: converged after 2 iterations. iteration 268: trace = 2.393040445604542 (7.16255e-07% change) linmin: converged after 4 iterations. iteration 269: trace = 2.393040421199894 (1.01982e-06% change) linmin: converged after 10 iterations. iteration 270: trace = 2.393040409601803 (4.84659e-07% change) large trace change predicted (1.38722e-06%) linmin: converged after 4 iterations. iteration 271: trace = 2.39304037640564 (1.3872e-06% change) linmin: converged after 21 iterations. iteration 272: trace = 2.393040364852663 (4.82774e-07% change) large trace change predicted (1.5673e-06%) linmin: converged after 2 iterations. iteration 273: trace = 2.393040327346475 (1.5673e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040310364444 (7.09642e-07% change) large trace change predicted (1.47613e-06%) linmin: converged after 8 iterations. iteration 275: trace = 2.393040275040153 (1.47613e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.393040241114048 (1.4177e-06% change) linmin: converged after 5 iterations. iteration 277: trace = 2.393040200368841 (1.70265e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.393040164587187 (1.49524e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.393040143637449 (8.75445e-07% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.393040123615926 (8.36656e-07% change) linmin: converged after 26 iterations. iteration 281: trace = 2.393040097254723 (1.10158e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.393040080609036 (6.95587e-07% change) linmin: converged after 3 iterations. iteration 283: trace = 2.393040070023619 (4.42342e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.39304005365244 (6.84116e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393040049252831 (1.8385e-07% change) large trace change predicted (4.41918e-07%) linmin: converged after 3 iterations. iteration 286: trace = 2.393040038677494 (4.41921e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393040025509667 (5.50255e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.393040019654107 (2.44691e-07% change) large trace change predicted (5.17209e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393040007277034 (5.17211e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039997140364 (4.2359e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039989962083 (2.99965e-07% change) large trace change predicted (9.5808e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039967034778 (9.58083e-07% change) linmin: converged after 19 iterations. iteration 293: trace = 2.393039962769715 (1.78228e-07% change) large trace change predicted (5.5828e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.393039949409854 (5.5828e-07% change) linmin: converged after 2 iterations. iteration 295: trace = 2.393039940301859 (3.80604e-07% change) linmin: converged after 9 iterations. iteration 296: trace = 2.393039934340293 (2.49121e-07% change) large trace change predicted (7.05859e-07%) linmin: converged after 2 iterations. iteration 297: trace = 2.393039917448811 (7.05859e-07% change) linmin: converged after 12 iterations. iteration 298: trace = 2.393039910573973 (2.87285e-07% change) large trace change predicted (8.63755e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039889903911 (8.63758e-07% change) linmin: converged after 16 iterations. iteration 300: trace = 2.393039883607988 (2.63093e-07% change) linmin: converged after 4 iterations. iteration 301: trace = 2.393039872341665 (4.70795e-07% change) linmin: converged after 3 iterations. iteration 302: trace = 2.393039868547251 (1.5856e-07% change) linmin: converged after 2 iterations. iteration 303: trace = 2.393039864622915 (1.6399e-07% change) linmin: converged after 2 iterations. iteration 304: trace = 2.393039861818064 (1.17209e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.393039859681585 (8.92789e-08% change) linmin: converged after 3 iterations. iteration 306: trace = 2.393039858141666 (6.43499e-08% change) large trace change predicted (1.59118e-07%) linmin: converged after 2 iterations. iteration 307: trace = 2.393039854333894 (1.59119e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039852312407 (8.44736e-08% change) large trace change predicted (2.45614e-07%) linmin: converged after 3 iterations. iteration 309: trace = 2.393039846434784 (2.45613e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.393039842958436 (1.45269e-07% change) large trace change predicted (4.00408e-07%) linmin: converged after 26 iterations. iteration 311: trace = 2.39303983337652 (4.00408e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.393039827049448 (2.64395e-07% change) large trace change predicted (6.2286e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.39303981214422 (6.22857e-07% change) linmin: converged after 2 iterations. iteration 314: trace = 2.393039803193084 (3.74049e-07% change) large trace change predicted (8.47055e-07%) linmin: converged after 2 iterations. iteration 315: trace = 2.393039782922678 (8.47057e-07% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039775919828 (2.92634e-07% change) large trace change predicted (6.03112e-07%) linmin: converged after 3 iterations. iteration 317: trace = 2.393039761487149 (6.03111e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.393039757974968 (1.46766e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.393039751324605 (2.77904e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.393039746925592 (1.83825e-07% change) linmin: converged after 6 iterations. iteration 321: trace = 2.393039741642429 (2.20772e-07% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039739594184 (8.55918e-08% change) linmin: converged after 6 iterations. iteration 323: trace = 2.393039736297653 (1.37755e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.393039734616863 (7.02366e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039732482706 (8.91818e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039730474012 (8.3939e-08% change) linmin: converged after 28 iterations. iteration 327: trace = 2.393039729541427 (3.89707e-08% change) large trace change predicted (1.25479e-07%) linmin: converged after 2 iterations. iteration 328: trace = 2.393039726538658 (1.25479e-07% change) linmin: converged after 5 iterations. iteration 329: trace = 2.393039725259905 (5.34363e-08% change) large trace change predicted (1.08967e-07%) linmin: converged after 3 iterations. iteration 330: trace = 2.393039722652271 (1.08967e-07% change) linmin: converged after 4 iterations. iteration 331: trace = 2.393039720055134 (1.08529e-07% change) linmin: converged after 4 iterations. iteration 332: trace = 2.39303971821311 (7.69742e-08% change) large trace change predicted (1.65289e-07%) linmin: converged after 4 iterations. iteration 333: trace = 2.393039714257687 (1.65289e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039711455557 (1.17095e-07% change) large trace change predicted (4.35667e-07%) linmin: converged after 3 iterations. iteration 335: trace = 2.393039701029889 (4.35666e-07% change) linmin: converged after 6 iterations. iteration 336: trace = 2.39303969414832 (2.87566e-07% change) large trace change predicted (6.18633e-07%) linmin: converged after 3 iterations. iteration 337: trace = 2.393039679344427 (6.18623e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039665738685 (5.68555e-07% change) linmin: converged after 2 iterations. iteration 339: trace = 2.393039658024705 (3.22351e-07% change) linmin: converged after 14 iterations. iteration 340: trace = 2.393039648022045 (4.1799e-07% change) linmin: converged after 3 iterations. iteration 341: trace = 2.393039645279689 (1.14597e-07% change) linmin: converged after 2 iterations. iteration 342: trace = 2.393039639860686 (2.26449e-07% change) linmin: converged after 2 iterations. iteration 343: trace = 2.393039638614395 (5.20798e-08% change) large trace change predicted (1.33225e-07%) linmin: converged after 31 iterations. iteration 344: trace = 2.393039635426273 (1.33225e-07% change) linmin: converged after 2 iterations. iteration 345: trace = 2.393039634396342 (4.30386e-08% change) large trace change predicted (2.76744e-07%) linmin: converged after 2 iterations. iteration 346: trace = 2.393039627773743 (2.76744e-07% change) linmin: converged after 2 iterations. iteration 347: trace = 2.393039623939238 (1.60236e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039620653532 (1.37303e-07% change) linmin: converged after 6 iterations. iteration 349: trace = 2.393039619165641 (6.21758e-08% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.39303961742302 (7.28204e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.393039616584213 (3.50519e-08% change) large trace change predicted (1.07232e-07%) linmin: converged after 2 iterations. iteration 352: trace = 2.393039614018103 (1.07232e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.393039612067748 (8.15011e-08% change) linmin: converged after 8 iterations. iteration 354: trace = 2.393039610485067 (6.61369e-08% change) large trace change predicted (1.6085e-07%) linmin: converged after 2 iterations. iteration 355: trace = 2.393039606635865 (1.6085e-07% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039604999336 (6.8387e-08% change) large trace change predicted (2.15251e-07%) linmin: converged after 2 iterations. iteration 357: trace = 2.393039599848283 (2.15252e-07% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039595199832 (1.94249e-07% change) linmin: converged after 2 iterations. iteration 359: trace = 2.393039590728982 (1.86827e-07% change) large trace change predicted (3.76711e-07%) linmin: converged after 2 iterations. iteration 360: trace = 2.393039581714138 (3.76711e-07% change) linmin: converged after 3 iterations. iteration 361: trace = 2.393039579624308 (8.73295e-08% change) large trace change predicted (3.15035e-07%) linmin: converged after 3 iterations. iteration 362: trace = 2.393039572085427 (3.15034e-07% change) linmin: converged after 4 iterations. iteration 363: trace = 2.393039569195385 (1.20769e-07% change) linmin: converged after 24 iterations. iteration 364: trace = 2.393039567347576 (7.7216e-08% change) linmin: converged after 3 iterations. iteration 365: trace = 2.393039564256501 (1.29169e-07% change) linmin: converged after 3 iterations. iteration 366: trace = 2.393039562988934 (5.29689e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039560578459 (1.00729e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.393039558922604 (6.91947e-08% change) linmin: converged after 26 iterations. iteration 369: trace = 2.393039557927479 (4.15841e-08% change) linmin: converged after 3 iterations. iteration 370: trace = 2.393039556595693 (5.56525e-08% change) linmin: converged after 3 iterations. iteration 371: trace = 2.393039555890322 (2.94759e-08% change) linmin: converged after 3 iterations. iteration 372: trace = 2.393039554797251 (4.56771e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039554116998 (2.84263e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039553586225 (2.21799e-08% change) linmin: converged after 2 iterations. iteration 375: trace = 2.393039552816456 (3.2167e-08% change) linmin: converged after 14 iterations. iteration 376: trace = 2.393039552509962 (1.28077e-08% change) large trace change predicted (3.80158e-08%) linmin: converged after 20 iterations. iteration 377: trace = 2.39303955160023 (3.80157e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.393039550102957 (6.25678e-08% change) linmin: converged after 2 iterations. iteration 379: trace = 2.393039547896684 (9.21954e-08% change) large trace change predicted (2.08605e-07%) linmin: converged after 13 iterations. iteration 380: trace = 2.393039542904686 (2.08605e-07% change) linmin: converged after 13 iterations. iteration 381: trace = 2.393039540914833 (8.31517e-08% change) large trace change predicted (2.68473e-07%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039534490165 (2.68473e-07% change) linmin: converged after 3 iterations. iteration 383: trace = 2.393039531743482 (1.14778e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.393039529022216 (1.13716e-07% change) linmin: converged after 2 iterations. iteration 385: trace = 2.3930395266464 (9.92803e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039525621313 (4.28362e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.39303952381167 (7.56211e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039522544793 (5.29401e-08% change) linmin: converged after 30 iterations. iteration 389: trace = 2.393039521254976 (5.38987e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039520146193 (4.63337e-08% change) linmin: converged after 3 iterations. iteration 391: trace = 2.393039519641123 (2.11058e-08% change) linmin: converged after 2 iterations. iteration 392: trace = 2.39303951876411 (3.66485e-08% change) linmin: converged after 4 iterations. iteration 393: trace = 2.393039518111734 (2.72614e-08% change) linmin: converged after 3 iterations. iteration 394: trace = 2.393039516866131 (5.20511e-08% change) linmin: converged after 2 iterations. iteration 395: trace = 2.393039515556683 (5.47191e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.393039514609391 (3.95853e-08% change) linmin: converged after 3 iterations. iteration 397: trace = 2.39303951301477 (6.66358e-08% change) linmin: converged after 20 iterations. iteration 398: trace = 2.393039512204096 (3.38763e-08% change) large trace change predicted (7.80343e-08%) linmin: converged after 2 iterations. iteration 399: trace = 2.393039510336703 (7.80344e-08% change) linmin: converged after 26 iterations. iteration 400: trace = 2.393039507857176 (1.03614e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.393039504890569 (1.23968e-07% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039501464116 (1.43184e-07% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039499809577 (6.91397e-08% change) linmin: converged after 2 iterations. iteration 404: trace = 2.393039497448843 (9.865e-08% change) linmin: converged after 3 iterations. iteration 405: trace = 2.393039496945668 (2.10266e-08% change) large trace change predicted (4.54251e-08%) linmin: converged after 2 iterations. iteration 406: trace = 2.393039495858626 (4.54252e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039495176422 (2.85078e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.393039494649704 (2.20104e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.393039493868053 (3.26635e-08% change) linmin: converged after 3 iterations. iteration 410: trace = 2.393039493522389 (1.44446e-08% change) large trace change predicted (6.70969e-08%) linmin: converged after 2 iterations. iteration 411: trace = 2.393039491916734 (6.70969e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.393039491319515 (2.49565e-08% change) large trace change predicted (6.36703e-08%) linmin: converged after 4 iterations. iteration 413: trace = 2.393039489795858 (6.36704e-08% change) linmin: converged after 6 iterations. iteration 414: trace = 2.393039487678044 (8.84989e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039484497585 (1.32905e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039482872291 (6.79176e-08% change) linmin: converged after 3 iterations. iteration 417: trace = 2.393039480048833 (1.17986e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.393039477503596 (1.0636e-07% change) linmin: converged after 16 iterations. iteration 419: trace = 2.393039475639136 (7.79118e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039474206179 (5.98802e-08% change) linmin: converged after 4 iterations. iteration 421: trace = 2.393039473025051 (4.93568e-08% change) large trace change predicted (1.06788e-07%) linmin: converged after 4 iterations. iteration 422: trace = 2.393039470469564 (1.06788e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.393039469730116 (3.08999e-08% change) large trace change predicted (1.1525e-07%) linmin: converged after 4 iterations. iteration 424: trace = 2.393039466972132 (1.1525e-07% change) linmin: converged after 33 iterations. iteration 425: trace = 2.393039466365175 (2.53634e-08% change) large trace change predicted (5.87761e-08%) linmin: converged after 20 iterations. iteration 426: trace = 2.393039464958636 (5.87763e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039464510041 (1.87458e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.393039463783371 (3.0366e-08% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039463425579 (1.49514e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039463222805 (8.47348e-09% change) large trace change predicted (1.98327e-08%) linmin: converged after 4 iterations. iteration 431: trace = 2.393039462748201 (1.98327e-08% change) linmin: converged after 27 iterations. iteration 432: trace = 2.393039462643557 (4.37282e-09% change) large trace change predicted (2.68203e-08%) linmin: converged after 2 iterations. iteration 433: trace = 2.393039462001738 (2.68202e-08% change) linmin: converged after 11 iterations. iteration 434: trace = 2.393039461780953 (9.22616e-09% change) large trace change predicted (2.79408e-08%) linmin: converged after 3 iterations. iteration 435: trace = 2.393039461112321 (2.79407e-08% change) linmin: converged after 3 iterations. iteration 436: trace = 2.393039460215512 (3.74757e-08% change) linmin: converged after 2 iterations. iteration 437: trace = 2.393039459745538 (1.96392e-08% change) large trace change predicted (7.14002e-08%) linmin: converged after 25 iterations. iteration 438: trace = 2.393039458036904 (7.14002e-08% change) linmin: converged after 22 iterations. iteration 439: trace = 2.393039457666539 (1.54768e-08% change) large trace change predicted (4.77735e-08%) linmin: converged after 2 iterations. iteration 440: trace = 2.393039456523302 (4.77734e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.393039456339768 (7.66948e-09% change) large trace change predicted (2.03303e-08%) linmin: converged after 3 iterations. iteration 442: trace = 2.393039455853257 (2.03302e-08% change) linmin: converged after 3 iterations. iteration 443: trace = 2.393039455603808 (1.04239e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303945522596 (1.57895e-08% change) linmin: converged after 2 iterations. iteration 445: trace = 2.393039454896127 (1.3783e-08% change) linmin: converged after 16 iterations. iteration 446: trace = 2.393039454711662 (7.70837e-09% change) linmin: converged after 5 iterations. iteration 447: trace = 2.393039454394383 (1.32584e-08% change) linmin: converged after 3 iterations. iteration 448: trace = 2.393039454238335 (6.52091e-09% change) linmin: converged after 4 iterations. iteration 449: trace = 2.393039453999304 (9.98861e-09% change) linmin: converged after 23 iterations. iteration 450: trace = 2.393039453869241 (5.43504e-09% change) large trace change predicted (1.63584e-08%) linmin: converged after 2 iterations. iteration 451: trace = 2.393039453477778 (1.63584e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039453348103 (5.41884e-09% change) large trace change predicted (1.64474e-08%) linmin: converged after 2 iterations. iteration 453: trace = 2.393039452954508 (1.64475e-08% change) linmin: converged after 3 iterations. iteration 454: trace = 2.393039452819819 (5.62837e-09% change) large trace change predicted (2.24653e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.39303945228222 (2.24651e-08% change) linmin: converged after 19 iterations. iteration 456: trace = 2.39303945199613 (1.19551e-08% change) large trace change predicted (2.58022e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.393039451378675 (2.58021e-08% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039450707573 (2.80439e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.393039450162363 (2.27831e-08% change) large trace change predicted (4.81083e-08%) linmin: converged after 3 iterations. iteration 460: trace = 2.393039449011113 (4.81083e-08% change) linmin: converged after 4 iterations. iteration 461: trace = 2.393039448761103 (1.04474e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039448275103 (2.03089e-08% change) linmin: converged after 2 iterations. iteration 463: trace = 2.39303944809994 (7.31969e-09% change) linmin: converged after 2 iterations. iteration 464: trace = 2.393039448016191 (3.49967e-09% change) linmin: converged after 3 iterations. iteration 465: trace = 2.393039447902463 (4.75244e-09% change) linmin: converged after 3 iterations. iteration 466: trace = 2.393039447842428 (2.50876e-09% change) linmin: converged after 2 iterations. iteration 467: trace = 2.393039447760849 (3.409e-09% change) linmin: converged after 2 iterations. iteration 468: trace = 2.393039447613777 (6.14585e-09% change) linmin: converged after 4 iterations. iteration 469: trace = 2.39303944754306 (2.95508e-09% change) large trace change predicted (8.63194e-09%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039447336494 (8.63195e-09% change) linmin: converged after 13 iterations. iteration 471: trace = 2.393039447185928 (6.29186e-09% change) linmin: converged after 3 iterations. iteration 472: trace = 2.393039447053844 (5.51951e-09% change) large trace change predicted (1.36633e-08%) linmin: converged after 3 iterations. iteration 473: trace = 2.393039446726879 (1.36632e-08% change) linmin: converged after 17 iterations. iteration 474: trace = 2.393039446615982 (4.63413e-09% change) large trace change predicted (1.42315e-08%) linmin: converged after 2 iterations. iteration 475: trace = 2.393039446275415 (1.42316e-08% change) linmin: converged after 8 iterations. iteration 476: trace = 2.393039446089102 (7.78561e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039445784855 (1.27138e-08% change) linmin: converged after 16 iterations. iteration 478: trace = 2.39303944540156 (1.60171e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.393039445156301 (1.02488e-08% change) large trace change predicted (2.74501e-08%) linmin: converged after 2 iterations. iteration 480: trace = 2.39303944449941 (2.74501e-08% change) linmin: converged after 3 iterations. iteration 481: trace = 2.393039444279885 (9.17349e-09% change) large trace change predicted (3.18263e-08%) linmin: converged after 3 iterations. iteration 482: trace = 2.39303944351827 (3.18262e-08% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039443333255 (7.7314e-09% change) linmin: converged after 2 iterations. iteration 484: trace = 2.393039443004228 (1.37493e-08% change) linmin: converged after 3 iterations. iteration 485: trace = 2.39303944267546 (1.37385e-08% change) linmin: converged after 7 iterations. iteration 486: trace = 2.393039442608175 (2.81171e-09% change) large trace change predicted (8.9904e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039442393032 (8.99037e-09% change) linmin: converged after 4 iterations. iteration 488: trace = 2.393039442342964 (2.09225e-09% change) large trace change predicted (4.34127e-09%) linmin: converged after 3 iterations. iteration 489: trace = 2.393039442239075 (4.34126e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.393039442184964 (2.2612e-09% change) linmin: converged after 6 iterations. iteration 491: trace = 2.393039442161027 (1.00029e-09% change) large trace change predicted (5.6857e-09%) linmin: converged after 2 iterations. iteration 492: trace = 2.393039442024966 (5.6857e-09% change) linmin: converged after 9 iterations. iteration 493: trace = 2.393039441872982 (6.35109e-09% change) linmin: converged after 16 iterations. iteration 494: trace = 2.393039441701082 (7.18331e-09% change) large trace change predicted (1.56833e-08%) linmin: converged after 3 iterations. iteration 495: trace = 2.393039441325779 (1.56831e-08% change) linmin: converged after 4 iterations. iteration 496: trace = 2.393039441211788 (4.76344e-09% change) large trace change predicted (1.48522e-08%) linmin: converged after 2 iterations. iteration 497: trace = 2.39303944085637 (1.48522e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.393039440598281 (1.0785e-08% change) linmin: converged after 2 iterations. iteration 499: trace = 2.393039440345882 (1.05472e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.393039439935951 (1.71301e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.393039439851639 (3.5232e-09% change) large trace change predicted (1.40842e-08%) linmin: converged after 2 iterations. iteration 502: trace = 2.393039439514599 (1.40842e-08% change) linmin: converged after 24 iterations. iteration 503: trace = 2.393039439403548 (4.64057e-09% change) linmin: converged after 4 iterations. iteration 504: trace = 2.393039439285229 (4.94428e-09% change) linmin: converged after 15 iterations. iteration 505: trace = 2.39303943914652 (5.79639e-09% change) linmin: converged after 3 iterations. iteration 506: trace = 2.393039439086246 (2.5187e-09% change) linmin: converged after 26 iterations. iteration 507: trace = 2.393039438988198 (4.09721e-09% change) linmin: converged after 21 iterations. iteration 508: trace = 2.393039438878307 (4.59212e-09% change) linmin: converged after 16 iterations. iteration 509: trace = 2.393039438841224 (1.54961e-09% change) large trace change predicted (3.22965e-09%) linmin: converged after 5 iterations. iteration 510: trace = 2.393039438763937 (3.22966e-09% change) linmin: converged after 16 iterations. iteration 511: trace = 2.393039438733785 (1.26e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.39303943870912 (1.03069e-09% change) linmin: converged after 13 iterations. iteration 513: trace = 2.39303943866326 (1.9164e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039438644809 (7.71029e-10% change) large trace change predicted (5.05109e-09%) linmin: converged after 5 iterations. iteration 515: trace = 2.393039438523934 (5.05108e-09% change) linmin: converged after 12 iterations. iteration 516: trace = 2.393039438469422 (2.27797e-09% change) large trace change predicted (7.15725e-09%) linmin: converged after 2 iterations. iteration 517: trace = 2.393039438298146 (7.15723e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.393039438014125 (1.18686e-08% change) linmin: converged after 4 iterations. iteration 519: trace = 2.393039437872779 (5.90657e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.393039437655179 (9.09303e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.393039437520089 (5.64515e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.393039437297263 (9.31141e-09% change) linmin: converged after 3 iterations. iteration 523: trace = 2.393039437156936 (5.86396e-09% change) linmin: converged after 24 iterations. iteration 524: trace = 2.393039437085292 (2.99385e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.39303943695845 (5.30046e-09% change) linmin: converged after 15 iterations. iteration 526: trace = 2.393039436914609 (1.83202e-09% change) linmin: converged after 4 iterations. iteration 527: trace = 2.393039436843865 (2.95622e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.39303943673263 (4.64831e-09% change) linmin: converged after 3 iterations. iteration 529: trace = 2.393039436690799 (1.74801e-09% change) linmin: converged after 8 iterations. iteration 530: trace = 2.393039436620647 (2.9315e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039436598385 (9.30289e-10% change) large trace change predicted (2.96243e-09%) linmin: converged after 3 iterations. iteration 532: trace = 2.393039436527491 (2.96249e-09% change) linmin: converged after 3 iterations. iteration 533: trace = 2.393039436461807 (2.74481e-09% change) linmin: converged after 4 iterations. iteration 534: trace = 2.393039436424172 (1.5727e-09% change) large trace change predicted (6.00559e-09%) linmin: converged after 4 iterations. iteration 535: trace = 2.393039436280454 (6.00566e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.39303943618887 (3.82708e-09% change) linmin: converged after 3 iterations. iteration 537: trace = 2.393039436036807 (6.35442e-09% change) linmin: converged after 2 iterations. iteration 538: trace = 2.393039435794245 (1.01361e-08% change) linmin: converged after 3 iterations. iteration 539: trace = 2.393039435700735 (3.90757e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039435531811 (7.05899e-09% change) linmin: converged after 2 iterations. iteration 541: trace = 2.393039435466259 (2.73924e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.39303943534544 (5.04878e-09% change) linmin: converged after 4 iterations. iteration 543: trace = 2.393039435298291 (1.97027e-09% change) linmin: converged after 4 iterations. iteration 544: trace = 2.393039435255517 (1.78742e-09% change) linmin: converged after 8 iterations. iteration 545: trace = 2.39303943522729 (1.17955e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.393039435188424 (1.62412e-09% change) linmin: converged after 8 iterations. iteration 547: trace = 2.393039435167712 (8.65505e-10% change) linmin: converged after 9 iterations. iteration 548: trace = 2.39303943512799 (1.65992e-09% change) large trace change predicted (3.40801e-09%) linmin: converged after 4 iterations. iteration 549: trace = 2.393039435046433 (3.40809e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.393039435014659 (1.32774e-09% change) large trace change predicted (6.842e-09%) linmin: converged after 23 iterations. iteration 551: trace = 2.393039434850928 (6.842e-09% change) linmin: converged after 2 iterations. iteration 552: trace = 2.393039434782558 (2.85703e-09% change) large trace change predicted (8.70625e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.393039434574214 (8.70625e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039434517141 (2.38494e-09% change) large trace change predicted (5.79028e-09%) linmin: converged after 2 iterations. iteration 555: trace = 2.393039434378577 (5.7903e-09% change) linmin: converged after 21 iterations. iteration 556: trace = 2.393039434298211 (3.35832e-09% change) large trace change predicted (7.26483e-09%) linmin: converged after 4 iterations. iteration 557: trace = 2.393039434124362 (7.26478e-09% change) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433935333 (7.89913e-09% change) large trace change predicted (1.666e-08%) linmin: converged after 3 iterations. iteration 559: trace = 2.39303943353665 (1.66601e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 560: trace = 2.393039433352452 (7.69724e-09% change) linmin: converged after 3 iterations. iteration 561: trace = 2.393039433201853 (6.29321e-09% change) linmin: converged after 3 iterations. iteration 562: trace = 2.39303943305918 (5.96198e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433019592 (1.65429e-09% change) large trace change predicted (3.65671e-09%) linmin: converged after 2 iterations. iteration 564: trace = 2.393039432932085 (3.65674e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039432890817 (1.72448e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.393039432826563 (2.68503e-09% change) linmin: converged after 2 iterations. iteration 567: trace = 2.393039432795364 (1.30374e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.393039432748506 (1.95812e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.393039432732972 (6.49143e-10% change) linmin: converged after 4 iterations. iteration 570: trace = 2.393039432704891 (1.17345e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.393039432689627 (6.37841e-10% change) linmin: converged after 4 iterations. iteration 572: trace = 2.393039432677676 (4.99383e-10% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039432665824 (4.95264e-10% change) linmin: converged after 2 iterations. iteration 574: trace = 2.393039432659203 (2.76711e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.393039432647236 (5.00051e-10% change) linmin: converged after 4 iterations. iteration 576: trace = 2.393039432638745 (3.54839e-10% change) large trace change predicted (7.3409e-10%) linmin: converged after 7 iterations. iteration 577: trace = 2.39303943262118 (7.34006e-10% change) linmin: converged after 15 iterations. iteration 578: trace = 2.393039432603238 (7.49725e-10% change) linmin: converged after 17 iterations. iteration 579: trace = 2.393039432570474 (1.36914e-09% change) linmin: converged after 18 iterations. iteration 580: trace = 2.393039432553994 (6.8867e-10% change) large trace change predicted (2.12314e-09%) linmin: converged after 3 iterations. iteration 581: trace = 2.393039432503187 (2.12313e-09% change) linmin: converged after 13 iterations. iteration 582: trace = 2.393039432480832 (9.34186e-10% change) linmin: converged after 4 iterations. iteration 583: trace = 2.393039432452084 (1.2013e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.393039432424392 (1.15719e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.393039432407845 (6.91435e-10% change) linmin: converged after 2 iterations. iteration 586: trace = 2.393039432382961 (1.03985e-09% change) linmin: converged after 7 iterations. iteration 587: trace = 2.393039432366514 (6.87316e-10% change) linmin: converged after 3 iterations. iteration 588: trace = 2.393039432345494 (8.78384e-10% change) linmin: converged after 14 iterations. iteration 589: trace = 2.393039432339349 (2.56762e-10% change) large trace change predicted (5.89427e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.39303943232524 (5.89573e-10% change) linmin: converged after 9 iterations. iteration 591: trace = 2.393039432320826 (1.84462e-10% change) large trace change predicted (3.69118e-10%) linmin: converged after 6 iterations. iteration 592: trace = 2.393039432311989 (3.69276e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.393039432305279 (2.80423e-10% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039432295434 (4.11365e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.393039432281389 (5.86938e-10% change) linmin: converged after 6 iterations. iteration 596: trace = 2.393039432276467 (2.05692e-10% change) large trace change predicted (7.85524e-10%) linmin: converged after 3 iterations. iteration 597: trace = 2.39303943225767 (7.85485e-10% change) linmin: converged after 9 iterations. iteration 598: trace = 2.393039432252615 (2.11222e-10% change) large trace change predicted (8.39976e-10%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432232515 (8.39951e-10% change) linmin: converged after 6 iterations. iteration 600: trace = 2.393039432226268 (2.6103e-10% change) large trace change predicted (9.03088e-10%) linmin: converged after 2 iterations. iteration 601: trace = 2.39303943220466 (9.02936e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432189016 (6.53764e-10% change) linmin: converged after 2 iterations. iteration 603: trace = 2.393039432166445 (9.43168e-10% change) linmin: converged after 3 iterations. iteration 604: trace = 2.39303943213833 (1.17488e-09% change) linmin: converged after 2 iterations. iteration 605: trace = 2.393039432120859 (7.30091e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.393039432093853 (1.1285e-09% change) linmin: converged after 7 iterations. iteration 607: trace = 2.393039432086923 (2.8959e-10% change) linmin: converged after 2 iterations. iteration 608: trace = 2.393039432075805 (4.64607e-10% change) linmin: converged after 7 iterations. iteration 609: trace = 2.393039432071387 (1.84592e-10% change) linmin: converged after 5 iterations. iteration 610: trace = 2.393039432065358 (2.51974e-10% change) linmin: converged after 2 iterations. iteration 611: trace = 2.393039432062455 (1.21292e-10% change) linmin: converged after 3 iterations. iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 3.914459466934204 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887% Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355% Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% total elapsed time for run: 85.37639451026917 done /tmp/meepFBAM2J/test_hermitian_eps-0: 85.38s /tmp/meepFBAM2J/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.12424325942993164 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812154 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363299 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859758 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951349 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135564 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.2070884324455 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814846 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.19315658004023 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379606 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477864 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205618 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657787 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093604258 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848075 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.18797477956343 (0.00115651% change) linmin: converged after 5 iterations. iteration 17: trace = 2.187966030722322 (0.000399861% change) linmin: converged after 5 iterations. iteration 18: trace = 2.187961616111454 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.1879597773419 (8.40403e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 2.18795888606421 (4.07356e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 2.18795854913431 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.18795830248867 (1.12729e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 2.187958133390985 (7.72856e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 2.187958074545614 (2.68951e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 2.187958069787004 (2.17491e-07% change) linmin: converged after 7 iterations. iteration 26: trace = 2.187958069734503 (2.39955e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 2.187958069720223 (6.52649e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 2.187958069713313 (3.15821e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.187958069709288 (1.83972e-10% change) linmin: converged after 18 iterations. iteration 30: trace = 2.187958069706379 (1.32965e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 27.61581516265869 total elapsed time for run: 27.740251541137695 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepFBAM2J/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 0.8948468239076676 s /tmp/meepFBAM2J/test_hole_slab-0: 27.78s /tmp/meepFBAM2J/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0034444332122802734 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828975 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550779 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.482417469982581 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909691 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789116 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653448 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558336 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277241 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069842 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696012 (0.00676256% change) linmin: converged after 4 iterations. iteration 11: trace = 4.384928986166431 (0.00232187% change) linmin: converged after 4 iterations. iteration 12: trace = 4.384903198778337 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818508 (0.000128143% change) linmin: converged after 13 iterations. iteration 14: trace = 4.384896578810197 (2.28285e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296354982 (6.44155e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.384896163448671 (3.031e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 4.384896108996914 (1.2418e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.384896055181356 (1.22729e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.384895970966074 (1.92058e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.38489590726072 (1.45284e-06% change) large trace change predicted (4.57068e-06%) linmin: converged after 10 iterations. iteration 21: trace = 4.384895706840789 (4.57069e-06% change) large trace change predicted (5.41044e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338154686 (5.40192e-05% change) large trace change predicted (0.000283059%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228104788 (0.000276177% change) linmin: converged after 7 iterations. iteration 24: trace = 4.384874398261604 (0.000155759% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500609987 (4.32772e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.3848713955458 (2.52017e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.384870693954905 (1.60003e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.384870461981484 (5.29031e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388767834 (1.66969e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 4.384870368921946 (4.52599e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.384870362402347 (1.48684e-07% change) linmin: converged after 9 iterations. iteration 32: trace = 4.384870359727408 (6.10038e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219287 (1.1588e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145627 (1.67987e-09% change) linmin: converged after 11 iterations. iteration 35: trace = 4.384870359129828 (3.60305e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120794 (2.06039e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.384870359115494 (1.20865e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.1817033290863037 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.39872195949743 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.39311735253206 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343357581851 (0.0859439% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788287284224 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878624289434 (0.0663499% change) large trace change predicted (0.244096%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047515311024 (0.224508% change) linmin: converged after 7 iterations. iteration 7: trace = 4.368118510614789 (0.135642% change) linmin: converged after 6 iterations. iteration 8: trace = 4.366002631629466 (0.0484509% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742801755479 (0.0288596% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161252396401 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460651575 (0.00398233% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770767711 (0.000817831% change) linmin: converged after 4 iterations. iteration 13: trace = 4.36393858374061 (0.000302181% change) linmin: converged after 5 iterations. iteration 14: trace = 4.36393008190258 (0.00019482% change) linmin: converged after 5 iterations. iteration 15: trace = 4.363920378512217 (0.000222355% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621681136 (0.00022358% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924465893 (0.000153468% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915392915 (6.89537e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331099684 (1.33892e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186221043 (3.31993e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.363900088964535 (2.22866e-06% change) linmin: converged after 7 iterations. iteration 22: trace = 4.363900060699683 (6.47697e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.363900055304586 (1.2363e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 4.363900051912999 (7.77192e-08% change) linmin: converged after 5 iterations. iteration 25: trace = 4.363900047515076 (1.0078e-07% change) linmin: converged after 23 iterations. iteration 26: trace = 4.363900042904723 (1.05648e-07% change) linmin: converged after 11 iterations. iteration 27: trace = 4.363900040389199 (5.7644e-08% change) linmin: converged after 10 iterations. iteration 28: trace = 4.363900039270392 (2.56378e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 4.363900038955546 (7.2148e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873566 (1.87859e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.363900038847111 (6.0623e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835859 (2.5783e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.363900038830814 (1.15604e-10% change) linmin: converged after 8 iterations. iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.19469404220581055 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609713 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322943 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640949 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292328 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266941 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808996 (0.00022026% change) linmin: converged after 4 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 10 iterations. iteration 8: trace = 4.32599459465187 (1.62193e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.325994488077118 (2.46359e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.325994468151051 (4.60612e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562197 (1.29192e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.325994459723789 (6.56128e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374728 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749015 (1.4464e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 4.32599445760477 (3.33439e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.325994457594259 (2.42966e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.09661078453063965 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30600107092552 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932486 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.29851853832182 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198784 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.298101423772041 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.29808505991654 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323796 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492037 (2.25864e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.298080977563766 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767696 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493846 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439335 (1.26827e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.298080976434353 (1.15928e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.09319543838500977 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997794 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617623 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707247 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043693 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619916 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28608714465769 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 25 iterations. iteration 10: trace = 4.28608712234582 (5.5367e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.286087121648094 (1.62788e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.286087121456529 (4.46946e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.28608712142735 (6.80792e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422133 (1.21723e-10% change) linmin: converged after 9 iterations. iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.08619332313537598 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792949 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942273 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283944159629766 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 9 iterations. iteration 6: trace = 4.283887176226486 (8.70288e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283886858681759 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.28388682691592 (7.41519e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283886820456622 (2.37293e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322502 (3.13079e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305657 (3.93222e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.07489943504333496 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396197 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190657 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392986 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 4 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037957 (1.15171e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.287889500347113 (5.60441e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28788950002585 (7.49233e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903878 (2.84456e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875897 (6.52563e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.06940603256225586 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492723 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537599 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277392 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777742 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.29990483034585 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29990477686071 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.9308e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.29990477144707 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054311 (9.13415e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.299904770962038 (2.14593e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.299904770944448 (4.09088e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.299904770939913 (1.05468e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.0808553695678711 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090462 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755684 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607524 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 5 iterations. iteration 5: trace = 4.319880164551648 (7.59385e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.319879323285335 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560536 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729278 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421852 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813207 (1.40894e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663674 (3.4615e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.319879224626948 (8.50146e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.081024169921875 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370844 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089942 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085783 (0.00355484% change) linmin: converged after 5 iterations. iteration 4: trace = 4.347489679972002 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105884 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576345 (3.33648e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.347482711409496 (5.8233e-06% change) linmin: converged after 12 iterations. iteration 8: trace = 4.347482493192523 (5.01939e-06% change) linmin: converged after 18 iterations. iteration 9: trace = 4.347482344420544 (3.42203e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.347482298963946 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34748228971871 (2.12657e-07% change) linmin: converged after 31 iterations. iteration 12: trace = 4.347482287039397 (6.16291e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286360998 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300155 (1.3995e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.347482286295717 (1.02087e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.09209465980529785 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611532715 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036492409 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.38178878025707 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715853946 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092892972 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455722745 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816252429 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919174327 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330732579 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279463 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825428 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387274 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.38121616433571 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929224 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63268e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 4.381215668422753 (1.08827e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185727 (5.41004e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 4.381215667875738 (7.07542e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457714 (9.54128e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.381215660818165 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974618 (6.49031e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.381215657571822 (9.1937e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.381215657498217 (1.68002e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.381215657480995 (3.93082e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476102 (1.11681e-10% change) linmin: converged after 16 iterations. iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.1574242115020752 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078381 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960042 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521737 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673116 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437412 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405223 (0.000131838% change) linmin: converged after 26 iterations. iteration 7: trace = 4.32273763909674 (2.13593e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.322737373315226 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966315 (1.14161e-06% change) linmin: converged after 17 iterations. iteration 10: trace = 4.322737320305617 (8.46847e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841389 (1.07392e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.322737319507413 (7.72602e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388518 (2.75046e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.322737319377671 (2.50936e-10% change) linmin: converged after 14 iterations. iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.08658194541931152 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591897576 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684616559 (0.11875% change) linmin: converged after 5 iterations. iteration 3: trace = 4.301135561283133 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572761 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.30085681986073 (0.000742564% change) linmin: converged after 14 iterations. iteration 6: trace = 4.300852819316745 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232525 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938094 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117169 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505014 (3.74846e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.300851491410827 (2.18996e-09% change) linmin: converged after 9 iterations. iteration 12: trace = 4.300851491406211 (1.07324e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.07468485832214355 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.32434937401908 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387770052 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377062 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406396 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908553 (0.000701658% change) linmin: converged after 6 iterations. iteration 6: trace = 4.317114586098945 (8.04196e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 4.317113326114089 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372538 (8.54139e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.317112903543082 (1.24689e-06% change) linmin: converged after 20 iterations. iteration 10: trace = 4.317112897314943 (1.44266e-07% change) linmin: converged after 14 iterations. iteration 11: trace = 4.317112896825686 (1.1333e-08% change) linmin: converged after 7 iterations. iteration 12: trace = 4.317112896790956 (8.04462e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.07564258575439453 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521888273 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344799 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496616 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793687 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549699 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455404 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839154 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070666 (3.09223e-06% change) linmin: converged after 5 iterations. iteration 9: trace = 4.358297546325379 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.35829752236015 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194551 (1.18523e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.358297516480515 (1.63834e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.358297516296371 (4.22512e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225987 (1.61496e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.358297516215984 (2.29509e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.10771322250366211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819852951 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.39527873831851 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538976 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085719 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461172 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836656 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775307 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979723 (0.000106994% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385086288853218 (1.87938e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697313 (2.37355e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.385086139058153 (1.45758e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.385086138940974 (2.67222e-09% change) large trace change predicted (7.9911e-09%) linmin: converged after 5 iterations. iteration 15: trace = 4.385086138590554 (7.99118e-09% change) large trace change predicted (6.98869e-08%) linmin: converged after 6 iterations. iteration 16: trace = 4.385086135525945 (6.98871e-08% change) large trace change predicted (2.99537e-07%) linmin: converged after 7 iterations. iteration 17: trace = 4.385086122390883 (2.99539e-07% change) large trace change predicted (1.05347e-06%) linmin: converged after 12 iterations. iteration 18: trace = 4.385086076197731 (1.05341e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 19: trace = 4.385075363377362 (0.000244302% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074751503768 (1.39535e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.385074131791603 (1.41323e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.385073498120102 (1.44506e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.3850728391906 (1.50266e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.385072141566585 (1.59091e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 4.385071390004491 (1.71391e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.385070567002641 (1.87683e-05% change) linmin: converged after 10 iterations. iteration 27: trace = 4.385069652320134 (2.0859e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068623117292 (2.34706e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067455913275 (2.66177e-05% change) linmin: converged after 6 iterations. iteration 30: trace = 4.385066132564182 (3.01785e-05% change) linmin: converged after 7 iterations. iteration 31: trace = 4.385064652751265 (3.37467e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.385063050710816 (3.6534e-05% change) linmin: converged after 10 iterations. iteration 33: trace = 4.385061400745426 (3.7627e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.385059792765557 (3.66695e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.385058292699991 (3.42086e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 4.385056925719566 (3.11736e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055687169101 (2.82448e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054559495551 (2.57163e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.385053522968946 (2.36377e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052560197837 (2.19557e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051657324839 (2.05898e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050803883862 (1.94625e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.385049992245298 (1.85092e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049217008356 (1.76791e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.385048474457228 (1.69337e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 4.385047762107202 (1.6245e-05% change) linmin: converged after 9 iterations. iteration 47: trace = 4.385047078337947 (1.55932e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.385046422125289 (1.49648e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045792731911 (1.43532e-05% change) linmin: converged after 13 iterations. iteration 50: trace = 4.385045189703144 (1.37519e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.38504461255611 (1.31617e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.385044060816794 (1.25823e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.38504353399636 (1.2014e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.385043031508665 (1.14591e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 4.385042552650464 (1.09203e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.385042096642393 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041662654589 (9.897e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 4.385041249778738 (9.41555e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040857070793 (8.95563e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 4.385040483570849 (8.51759e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 4.385040128308277 (8.10169e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039790310772 (7.70797e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039468628151 (7.33591e-06% change) linmin: converged after 7 iterations. iteration 64: trace = 4.385039162327915 (6.98512e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038870510874 (6.65483e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 4.385038592311513 (6.34429e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038326900565 (6.05265e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 4.38503807348842 (5.77902e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037831326652 (5.52246e-06% change) resetting CG direction... large trace change predicted (0.0031332%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900329100619 (0.00313576% change) linmin: converged after 3 iterations. iteration 71: trace = 4.384884254601342 (0.000366588% change) linmin: converged after 3 iterations. iteration 72: trace = 4.384873438720082 (0.000246663% change) linmin: converged after 3 iterations. iteration 73: trace = 4.384870688145813 (6.27287e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 4.384870449333986 (5.44627e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415882931 (7.62874e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 4.384870401147243 (3.36058e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492857 (1.74564e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389495106 (9.11715e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 4.384870388322232 (2.67482e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 4.384870388216734 (2.40597e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 4.384870388189753 (6.15302e-10% change) large trace change predicted (3.52411e-09%) linmin: converged after 4 iterations. iteration 82: trace = 4.38487038803525 (3.52357e-09% change) large trace change predicted (3.74764e-08%) linmin: converged after 28 iterations. iteration 83: trace = 4.384870386391934 (3.7477e-08% change) large trace change predicted (1.51153e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379764137 (1.51151e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 4.384870373683719 (1.38668e-07% change) linmin: converged after 7 iterations. iteration 86: trace = 4.384870369532241 (9.46773e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.38487036365659 (1.33998e-07% change) linmin: converged after 8 iterations. iteration 88: trace = 4.384870360442977 (7.32887e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 4.384870359584565 (1.95767e-08% change) linmin: converged after 14 iterations. iteration 90: trace = 4.384870359189046 (9.02009e-09% change) linmin: converged after 9 iterations. iteration 91: trace = 4.384870359114164 (1.70774e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106877 (1.66176e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.40782785415649414 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774273 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087806 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092526 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418488 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.785657777185661 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014189 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233968 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354988) to band 2 (0.3351850759916969), 0.020381849463972628% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% total elapsed time for run: 1.9665985107421875 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002873659133911133 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 17.92607897538322 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119915343174 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109186977 (14.0209% change) linmin: converged after 5 iterations. iteration 4: trace = 6.58888652364287 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424246076 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866302 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823718502 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.474893456063001 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132514 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000407 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.47015757375367 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969771 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660893 (0.00751906% change) linmin: converged after 7 iterations. iteration 14: trace = 6.468841027070832 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577920377 (0.0026968% change) linmin: converged after 10 iterations. iteration 16: trace = 6.468592519446273 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.46856679543332 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940038 (0.000186803% change) linmin: converged after 6 iterations. iteration 19: trace = 6.468546490013834 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358513 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926657947 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161839825 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335214083 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 7 iterations. iteration 24: trace = 6.467419876616322 (0.0103043% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466887404305107 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640790414967 (0.00381356% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466547273459352 (0.00144615% change) linmin: converged after 4 iterations. iteration 28: trace = 6.466507039465316 (0.000622189% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489938107039 (0.000264461% change) linmin: converged after 4 iterations. iteration 30: trace = 6.466483473449076 (9.99717e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920991301 (7.04009e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475300003511 (5.59963e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466472640176281 (4.11326e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.466470979761616 (2.56773e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055019 (1.6465e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614943 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751725752 (6.61705e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.466468412461958 (5.24651e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466467929864256 (7.46308e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100427191 (1.28267e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255877623 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 8 iterations. iteration 42: trace = 6.46646122001997 (6.24121e-05% change) large trace change predicted (0.00015753%) linmin: converged after 6 iterations. iteration 43: trace = 6.466451030011505 (0.000157583% change) linmin: converged after 9 iterations. iteration 44: trace = 6.466433013331613 (0.000278618% change) linmin: converged after 11 iterations. iteration 45: trace = 6.466416782663948 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490528265 (0.000112769% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466406899774358 (4.00648e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.466406094478431 (1.24535e-05% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405844612755 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769907499 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747181907 (3.51441e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 6.46640573799684 (1.42043e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731539118 (9.98657e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405724920215 (1.02358e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 6.466405718048475 (1.06268e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327633 (7.3799e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709709058 (5.51662e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405707038169 (4.13041e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.466405704132005 (4.49425e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.466405699087506 (7.80109e-08% change) large trace change predicted (1.5603e-07%) linmin: converged after 2 iterations. iteration 61: trace = 6.466405688997896 (1.56031e-07% change) large trace change predicted (3.7443e-07%) linmin: converged after 15 iterations. iteration 62: trace = 6.466405664785508 (3.74433e-07% change) linmin: converged after 28 iterations. iteration 63: trace = 6.466405627489602 (5.76764e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.466405586875777 (6.28074e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.46640556506476 (3.37297e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.466405555907518 (1.41613e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405552605178 (5.10692e-08% change) linmin: converged after 2 iterations. iteration 68: trace = 6.466405551334731 (1.96469e-08% change) linmin: converged after 16 iterations. iteration 69: trace = 6.466405550799248 (8.281e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550642449 (2.42482e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503872 (2.14303e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.466405550445268 (9.06281e-10% change) linmin: converged after 3 iterations. iteration 73: trace = 6.466405550414719 (4.72425e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.46640555038379 (4.78303e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 6.466405550351928 (4.92725e-10% change) large trace change predicted (1.03812e-09%) linmin: converged after 3 iterations. iteration 76: trace = 6.466405550284806 (1.03802e-09% change) large trace change predicted (2.15834e-09%) linmin: converged after 5 iterations. iteration 77: trace = 6.466405550145241 (2.15831e-09% change) large trace change predicted (4.86711e-09%) linmin: converged after 3 iterations. iteration 78: trace = 6.466405549830503 (4.86729e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 6.466405549269239 (8.67969e-09% change) linmin: converged after 11 iterations. iteration 80: trace = 6.466405548567114 (1.0858e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547894586 (1.04003e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547386092 (7.86362e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.466405546958021 (6.61992e-09% change) linmin: converged after 8 iterations. iteration 84: trace = 6.466405546506333 (6.98514e-09% change) linmin: converged after 16 iterations. iteration 85: trace = 6.466405546057374 (6.94295e-09% change) linmin: converged after 2 iterations. iteration 86: trace = 6.46640554572432 (5.15053e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.466405545536675 (2.90184e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461352 (1.16483e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440622 (3.20595e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433945 (1.03248e-10% change) linmin: converged after 17 iterations. iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.40051770210266113 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067052996546 (0.950104% change) linmin: converged after 5 iterations. iteration 2: trace = 6.43476570269001 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.41564474813926 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.39465360439015 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220861344239 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272818545 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062794824 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086332797 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.37201104783465 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458537317 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011456711 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519883851 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913676103 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529108516 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436772975 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391429577 (0.000377597% change) linmin: converged after 6 iterations. iteration 17: trace = 6.367957304387381 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626657136 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610031953 (0.000173002% change) linmin: converged after 6 iterations. iteration 20: trace = 6.367922428080588 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388196858 (6.34412e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 6.36791563959841 (4.31632e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 6.367913674060577 (3.08663e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 6.367912248327197 (2.23893e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.367910983142318 (1.98681e-05% change) linmin: converged after 8 iterations. iteration 26: trace = 6.367910002775989 (1.53954e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 6.3679094833749 (8.15654e-06% change) linmin: converged after 12 iterations. iteration 28: trace = 6.367909240413649 (3.8154e-06% change) linmin: converged after 12 iterations. iteration 29: trace = 6.367909155901818 (1.32715e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 6.367909122690675 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103767053 (2.97172e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.367909090577662 (2.07123e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277775 (1.77451e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 6.367909068648772 (1.66915e-07% change) linmin: converged after 15 iterations. iteration 35: trace = 6.367909061036096 (1.19547e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 6.367909056621722 (6.93222e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 6.367909054297022 (3.65065e-08% change) linmin: converged after 20 iterations. iteration 38: trace = 6.367909052624121 (2.62708e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314649 (2.05636e-08% change) linmin: converged after 3 iterations. iteration 40: trace = 6.367909050370929 (1.48199e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 6.367909049791784 (9.09474e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 6.367909049418198 (5.86671e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 6.367909049257639 (2.52137e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 6.367909049201544 (8.80896e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.367909049182624 (2.97114e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 6.367909049171304 (1.77764e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.367909049158719 (1.97639e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 6.367909049144635 (2.21169e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 6.367909049133679 (1.72059e-10% change) linmin: converged after 5 iterations. iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.2799339294433594 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 6.3200032605905 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319692 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010985 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874486335 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640793 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505048 (0.00135245% change) linmin: converged after 6 iterations. iteration 7: trace = 6.307433279783366 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930066 (0.000207541% change) linmin: converged after 4 iterations. iteration 9: trace = 6.307414904204794 (8.37918e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.307412046921582 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158996 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531604 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969257 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233323 (3.91184e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 6.307408593328487 (2.04371e-06% change) linmin: converged after 28 iterations. iteration 16: trace = 6.307408549531712 (6.9437e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807263 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970346 (7.66863e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.307408528488404 (2.34953e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.307408528005171 (7.66136e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.30740852785379 (2.40005e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 6.307408527794085 (9.46587e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.30740852775652 (5.95563e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.30740852773683 (3.12173e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.307408527727549 (1.47138e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.14686822891235352 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463612982484 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394750923 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604043969 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267175199 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152580638 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510427349 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752496 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428303634 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604383709 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.281988929449003 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844711 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759971988 (7.12812e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.281973995724686 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607873 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094742 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844382 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295188 (8.20589e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.28197156610134 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.28197156230419 (6.04452e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 6.281971560806641 (2.38388e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352625 (7.22728e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.281971560186313 (2.64745e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120159 (1.05308e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 6.281971560091682 (4.5331e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.281971560080309 (1.81044e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.14773917198181152 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369297 (0.430756% change) linmin: converged after 5 iterations. iteration 2: trace = 6.2892066843556 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834829 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800656 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271310484 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617309 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882139578 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341747 (0.00230942% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282800167347959 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282747004996441 (0.000846161% change) linmin: converged after 20 iterations. iteration 12: trace = 6.282703557062474 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229335338 (0.000339468% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282675130393072 (0.000112992% change) linmin: converged after 4 iterations. iteration 15: trace = 6.282672608965461 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548717 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329277 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190036 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233792 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010518 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784775 (1.30927e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753027 (4.82557e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 6.282671766763948 (1.5743e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.282671766458806 (4.85688e-09% change) linmin: converged after 9 iterations. iteration 25: trace = 6.282671766336981 (1.93907e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 6.282671766260684 (1.21441e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.282671766201569 (9.40913e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.282671766155278 (7.36804e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 6.282671766133061 (3.53636e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.18009710311889648 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451288 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025499247 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507706 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212721223 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229676 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398333 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.29949534067714 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630943 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766081 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255148 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455876 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215354 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924448 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016279 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263541 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985894 (2.37874e-05% change) linmin: converged after 6 iterations. iteration 18: trace = 6.29440645900385 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379217 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788376 (2.55133e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 6.294405782629287 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446981 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369189 (2.39543e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.294405733484955 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045221 (2.29406e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 6.294405712361794 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.29440571017969 (3.46673e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 6.29440570899652 (1.87972e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.294405707877617 (1.77761e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.294405706286301 (2.52814e-08% change) linmin: converged after 20 iterations. iteration 31: trace = 6.294405704817242 (2.33391e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102966 (1.13478e-08% change) linmin: converged after 9 iterations. iteration 33: trace = 6.294405703768753 (5.30969e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 6.294405703545733 (3.54314e-09% change) linmin: converged after 7 iterations. iteration 35: trace = 6.294405703401987 (2.28372e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 6.294405703320324 (1.29739e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286798 (5.32633e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 6.294405703273476 (2.11645e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.25153422355651855 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176919602 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727760468 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.29761911485909 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147147 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595465 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687401 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150609 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841469 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.29646816300987 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.29646794117121 (3.52322e-06% change) linmin: converged after 10 iterations. iteration 11: trace = 6.296467865329763 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969857 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830014 (3.83387e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 6.296467783022486 (4.25755e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 6.296467750315617 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879384 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753017 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688737 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980607 (1.2242e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296467694261517 (9.08301e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403801 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402602 (1.5901e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296467690046349 (5.65799e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.29646768982429 (3.52672e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597053 (3.60896e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.296467689392037 (3.25605e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.296467689305392 (1.37608e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279556 (4.10329e-10% change) linmin: converged after 15 iterations. iteration 29: trace = 6.296467689270651 (1.41427e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.19646143913269043 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234781 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319124 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009928 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.30220020902879 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624336 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411512 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018786 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262022 (8.92239e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 6.301846911960352 (1.86501e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.301846388216972 (8.31095e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 6.301846085008105 (4.81143e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 6.30184588886787 (3.11243e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 6.301845757623044 (2.08264e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.30184569861957 (9.36289e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235487 (4.82146e-07% change) linmin: converged after 14 iterations. iteration 16: trace = 6.301845649790846 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932034 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.30184560184901 (4.35925e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.301845579579472 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110102 (1.97869e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.301845561609765 (8.72814e-08% change) linmin: converged after 26 iterations. iteration 22: trace = 6.301845559125026 (3.94288e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.301845557289972 (2.91193e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.301845555247236 (3.24149e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038564 (3.5048e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 6.301845551683946 (2.14956e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.301845551182741 (7.9533e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984634 (3.14364e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.301845550903847 (1.28196e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.301845550857776 (7.31067e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.30184555083353 (3.84751e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.30184555082548 (1.27747e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.2124006748199463 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115614864 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197751503 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572941805 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827669129 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208927556 (0.0029578% change) linmin: converged after 5 iterations. iteration 6: trace = 6.309229226566798 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973781213 (0.000416102% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30919440659967 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198229 (6.43094e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.309187375962605 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567454864 (2.86647e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.309184755086878 (1.2876e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.309184446575221 (4.88988e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.309184352025174 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579332 (8.15412e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 6.309184257672634 (6.80067e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 6.309184198715782 (9.34461e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.309184133927345 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.309184099681204 (5.42798e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.30918408410606 (2.46865e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 6.309184076911358 (1.14035e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438 (7.09023e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130057 (6.82805e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.309184063212676 (7.794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450126 (1.07186e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362691 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652987 (4.29486e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 6.309184047348862 (2.06703e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.309184046823375 (8.32893e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545846 (4.39881e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.309184046419702 (1.99936e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.309184046373005 (7.40141e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.309184046358347 (2.32336e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.22054290771484375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801917711 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470978049 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550837462 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553848058 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349123102 (0.00226642% change) linmin: converged after 5 iterations. iteration 6: trace = 6.318420288427251 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042071838 (0.000731932% change) linmin: converged after 5 iterations. iteration 8: trace = 6.318349508618049 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411522139 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606694 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476686 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523260427 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770551 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379766 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792305 (3.33296e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 6.318323450131578 (4.23626e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017672 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162412 (2.81491e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 6.318322903495034 (8.81047e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.318322888313275 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797128 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181355 (2.55728e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.318322881394603 (1.24519e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.318322880964139 (6.81294e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 6.318322880605 (5.68409e-09% change) linmin: converged after 15 iterations. iteration 26: trace = 6.318322880209585 (6.25823e-09% change) linmin: converged after 21 iterations. iteration 27: trace = 6.31832287959852 (9.6713e-09% change) linmin: converged after 14 iterations. iteration 28: trace = 6.318322878497074 (1.74326e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.318322877602431 (1.41595e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.31832287708382 (8.20805e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38021e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.318322876668267 (2.19674e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.318322876613936 (8.59892e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 6.318322876598196 (2.49121e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.6180503368377686 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568353543 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094181636 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309822502 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591274194 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210196264 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.33064396980161 (0.00188353% change) linmin: converged after 7 iterations. iteration 7: trace = 6.330526348136551 (0.00185799% change) linmin: converged after 13 iterations. iteration 8: trace = 6.330475545195476 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.330456130102515 (0.000306693% change) linmin: converged after 5 iterations. iteration 10: trace = 6.330448155863277 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917500964 (5.11554e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968357512 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826384102 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859955793 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902013757 (0.0001731% change) linmin: converged after 5 iterations. iteration 16: trace = 6.330408494649402 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091576583 (0.000243319% change) linmin: converged after 6 iterations. iteration 18: trace = 6.330384367755954 (0.000137809% change) linmin: converged after 6 iterations. iteration 19: trace = 6.330379302017224 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672644792 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.330359257233077 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260631059 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731579208 (0.00312042% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824562064017 (0.00436289% change) linmin: converged after 7 iterations. iteration 25: trace = 6.329581573906367 (0.00383886% change) linmin: converged after 6 iterations. iteration 26: trace = 6.329442199166004 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368645492959 (0.00116209% change) linmin: converged after 10 iterations. iteration 28: trace = 6.329332395863501 (0.000572723% change) linmin: converged after 4 iterations. iteration 29: trace = 6.329321991178512 (0.000164388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097988076 (4.57109e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.329318300206615 (1.26045e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.32931799410349 (4.83627e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317823129362 (2.7013e-06% change) linmin: converged after 6 iterations. iteration 34: trace = 6.329317711845055 (1.75824e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.329317634395559 (1.22366e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.329317560691636 (1.16448e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.32931747415502 (1.36723e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 6.329317376194909 (1.54772e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304171264 (1.13794e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.329317262603997 (6.56742e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.329317230522463 (5.06872e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195236122 (5.57506e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.329317162896908 (5.10943e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.329317144755773 (2.86621e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.329317134305412 (1.6511e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125696884 (1.3601e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115496575 (1.6116e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101155471 (2.26582e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.329317075190383 (4.10235e-07% change) large trace change predicted (8.61114e-07%) linmin: converged after 9 iterations. iteration 50: trace = 6.329317020686204 (8.61138e-07% change) large trace change predicted (2.13494e-06%) linmin: converged after 7 iterations. iteration 51: trace = 6.329316885549689 (2.13509e-06% change) large trace change predicted (4.29533e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613639072 (4.29605e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332925112 (4.43514e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.329316191102488 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143746306 (7.48204e-07% change) linmin: converged after 18 iterations. iteration 56: trace = 6.32931612694177 (2.65503e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120032678 (1.0916e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116868592 (4.9991e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.329316115420461 (2.28797e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114755848 (1.05006e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.329316114258587 (7.85647e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.32931611357861 (1.07433e-08% change) linmin: converged after 7 iterations. iteration 63: trace = 6.32931611250308 (1.69928e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378772 (1.77635e-08% change) linmin: converged after 17 iterations. iteration 65: trace = 6.329316110808317 (9.01291e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.32931611061173 (3.10597e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525245 (1.36641e-09% change) linmin: converged after 16 iterations. iteration 68: trace = 6.329316110484219 (6.48202e-10% change) linmin: converged after 7 iterations. iteration 69: trace = 6.329316110465934 (2.88893e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458442 (1.18366e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.32931611045135 (1.12052e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.3999006748199463 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535386882 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987163942 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715447410408 (0.0710428% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209751381263 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423963655603 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418547572471 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762758268691 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505247164775 (0.00404597% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314495047947 (0.00299717% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187767542588 (0.00199124% change) linmin: converged after 4 iterations. iteration 11: trace = 6.364105946449937 (0.00128566% change) large trace change predicted (0.00305019%) linmin: converged after 4 iterations. iteration 12: trace = 6.363911973027979 (0.00304798% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499392011474 (0.0379175% change) linmin: converged after 17 iterations. iteration 14: trace = 6.360271253669679 (0.0193077% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373214130635 (0.0141205% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557209865869 (0.0128323% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758831376815 (0.0125568% change) linmin: converged after 4 iterations. iteration 18: trace = 6.35695020028015 (0.0127196% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356111990994002 (0.0131866% change) linmin: converged after 5 iterations. iteration 20: trace = 6.355220830187315 (0.0140215% change) linmin: converged after 7 iterations. iteration 21: trace = 6.354246050292112 (0.0153394% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159590078924 (0.0170996% change) linmin: converged after 5 iterations. iteration 23: trace = 6.35196059587473 (0.0188742% change) linmin: converged after 7 iterations. iteration 24: trace = 6.350699107250833 (0.0198618% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349457731438005 (0.019549% change) linmin: converged after 6 iterations. iteration 26: trace = 6.348291251576054 (0.018373% change) linmin: converged after 5 iterations. iteration 27: trace = 6.347197527381277 (0.0172301% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140279328147 (0.0166583% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081032208443 (0.0166926% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343998846697296 (0.017057% change) linmin: converged after 9 iterations. iteration 31: trace = 6.342897532952846 (0.0173614% change) linmin: converged after 6 iterations. iteration 32: trace = 6.341800207534998 (0.0173016% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340733702023742 (0.0168185% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713171756136 (0.0160961% change) linmin: converged after 10 iterations. iteration 35: trace = 6.338736461829757 (0.0154074% change) linmin: converged after 6 iterations. iteration 36: trace = 6.33778783665264 (0.0149666% change) linmin: converged after 5 iterations. iteration 37: trace = 6.336845169256096 (0.0148749% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335886962176028 (0.0151223% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899165822387 (0.0155917% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333882730716306 (0.0160463% change) linmin: converged after 7 iterations. iteration 41: trace = 6.33286010313808 (0.0161467% change) linmin: converged after 7 iterations. iteration 42: trace = 6.331873203918613 (0.015585% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966235762773 (0.0143249% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330163751312972 (0.0126763% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329463856162633 (0.0110571% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847345078376 (0.00974081% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289355750378 (0.00881699% change) linmin: converged after 5 iterations. iteration 48: trace = 6.327766397496983 (0.00826416% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259336647544 (0.00801359% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326754564654965 (0.00797805% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326244564109935 (0.00806134% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325727895894234 (0.00816739% change) linmin: converged after 5 iterations. iteration 53: trace = 6.325208013920704 (0.00821887% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324690671181235 (0.0081794% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324180794620297 (0.00806201% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680328087471 (0.00791385% change) linmin: converged after 4 iterations. iteration 57: trace = 6.32318781492698 (0.0077887% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699274017141 (0.00772648% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209415642527 (0.00774791% change) linmin: converged after 5 iterations. iteration 60: trace = 6.321712489184559 (0.00786032% change) linmin: converged after 5 iterations. iteration 61: trace = 6.321202501922708 (0.00806756% change) linmin: converged after 6 iterations. iteration 62: trace = 6.320672900221528 (0.00837853% change) linmin: converged after 6 iterations. iteration 63: trace = 6.320116030645042 (0.00881068% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319522825865787 (0.00938642% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318883234645984 (0.0101214% change) linmin: converged after 5 iterations. iteration 66: trace = 6.318187959672148 (0.0110037% change) linmin: converged after 6 iterations. iteration 67: trace = 6.31743189423737 (0.0119672% change) linmin: converged after 9 iterations. iteration 68: trace = 6.316618757955095 (0.0128721% change) linmin: converged after 6 iterations. iteration 69: trace = 6.315764596548945 (0.0135234% change) resetting CG direction... large trace change predicted (0.188887%) linmin: converged after 4 iterations. iteration 70: trace = 6.30377483351079 (0.190019% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300359863163028 (0.0541881% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320135225627 (0.016504% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061113389838 (0.00411199% change) linmin: converged after 3 iterations. iteration 74: trace = 6.29894674000712 (0.00181574% change) linmin: converged after 4 iterations. iteration 75: trace = 6.298877873119761 (0.00109331% change) linmin: converged after 4 iterations. iteration 76: trace = 6.298793443318489 (0.0013404% change) linmin: converged after 5 iterations. iteration 77: trace = 6.298725836212253 (0.00107334% change) linmin: converged after 4 iterations. iteration 78: trace = 6.298682922239421 (0.000681314% change) linmin: converged after 3 iterations. iteration 79: trace = 6.298642200531368 (0.000646514% change) linmin: converged after 3 iterations. iteration 80: trace = 6.298616546133387 (0.000407301% change) linmin: converged after 3 iterations. iteration 81: trace = 6.298604022115915 (0.000198838% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598783826391 (8.31659e-05% change) linmin: converged after 6 iterations. iteration 83: trace = 6.298597353919131 (2.2702e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 6.298596364652583 (1.57061e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 6.298595759885517 (9.60162e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.298595315598257 (7.05375e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099396957 (3.43253e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.298595020017621 (1.26027e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974687637 (7.19684e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.298594929333673 (7.20065e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.298594895483319 (5.37427e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877344432 (2.87983e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868820416 (1.35332e-07% change) linmin: converged after 5 iterations. iteration 94: trace = 6.298594864524636 (6.82022e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 6.298594862453144 (3.28882e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905874 (8.68876e-09% change) linmin: converged after 19 iterations. iteration 97: trace = 6.298594861732207 (2.75724e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685732 (7.3786e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667191 (2.94363e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.298594861658075 (1.44735e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.5968389511108398 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987178494 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233361261 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394324921 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833051483 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916499 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170792 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992352109 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090529 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408679 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564533 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449735 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832897 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.28260865850598 (1.99482e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.282608607802819 (8.0704e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282608579576467 (4.49278e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246183 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481403 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131914 (5.33137e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.282608553958246 (1.86812e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.282608553518156 (7.0049e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 6.282608553300054 (3.47151e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 6.282608553189004 (1.76759e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 6.282608553137472 (8.2022e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 6.282608553118511 (3.01813e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.1631622314453125 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067843477 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191718284 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393602 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418353 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183249 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.29692785760085 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232909 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.296840480940103 (0.000309667% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296835118565327 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246105 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029665 (1.76155e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296831011555446 (6.91577e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 6.296830859588104 (2.41339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.29683081631859 (6.87163e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.29683079971514 (2.63679e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163728 (8.8162e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 6.296830790795292 (1.61387e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.296830790487549 (4.88727e-09% change) linmin: converged after 21 iterations. iteration 20: trace = 6.29683079038124 (1.68829e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 6.296830790332562 (7.73062e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 6.29683079030516 (4.35173e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293806 (1.80306e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.15746712684631348 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112054111 (0.562684% change) linmin: converged after 6 iterations. iteration 2: trace = 6.360316161579064 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854586 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685735 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306038 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160624 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703357 (0.000783992% change) linmin: converged after 5 iterations. iteration 8: trace = 6.356067894802454 (0.000383254% change) linmin: converged after 6 iterations. iteration 9: trace = 6.356057959422968 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445724 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803913 (3.17279e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.356050456386635 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.356049967376735 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 28 iterations. iteration 16: trace = 6.356049901388708 (2.85404e-07% change) linmin: converged after 23 iterations. iteration 17: trace = 6.356049892735019 (1.36149e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356049887839802 (7.70166e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.356049885347 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857859 (2.34287e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.356049883361588 (7.80785e-09% change) linmin: converged after 9 iterations. iteration 22: trace = 6.356049883209116 (2.39885e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 6.356049883160932 (7.5809e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 6.356049883141623 (3.03789e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 6.356049883134007 (1.19811e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.16996049880981445 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768772931 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173738512 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167065866 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479664611 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953734 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054692 (0.000950981% change) linmin: converged after 5 iterations. iteration 7: trace = 6.467983140883332 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050007465 (0.000357003% change) linmin: converged after 5 iterations. iteration 9: trace = 6.467927172636561 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580582 (0.000446853% change) linmin: converged after 10 iterations. iteration 11: trace = 6.467871940836226 (0.000407084% change) linmin: converged after 10 iterations. iteration 12: trace = 6.467850751198577 (0.000327614% change) linmin: converged after 7 iterations. iteration 13: trace = 6.467835734516946 (0.000232174% change) linmin: converged after 10 iterations. iteration 14: trace = 6.467812737195286 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878039142 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 11 iterations. iteration 16: trace = 6.467537992289778 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240856515 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782268256 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440164 (0.00269434% change) linmin: converged after 8 iterations. iteration 20: trace = 6.466437876281591 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072562876 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918629861 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.46640927950021 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508489901 (1.19233e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.466407804625891 (1.08849e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466407055859862 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660054711 (6.12094e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.466406474887561 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394960384 (1.23604e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.466406364405307 (4.7252e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466406353488566 (1.68822e-07% change) linmin: converged after 29 iterations. iteration 32: trace = 6.466406348132334 (8.28317e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466406341484168 (1.02811e-07% change) large trace change predicted (2.07296e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328079522 (2.07297e-07% change) large trace change predicted (4.9286e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296209299 (4.92858e-07% change) large trace change predicted (1.36399e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406208006756 (1.36401e-06% change) large trace change predicted (3.01516e-06%) linmin: converged after 6 iterations. iteration 37: trace = 6.46640601302609 (3.01529e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405815025164 (3.06199e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733870723 (1.25502e-06% change) linmin: converged after 10 iterations. iteration 40: trace = 6.466405707776289 (4.03538e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.466405697328108 (1.61576e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 6.466405689145759 (1.26536e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.466405679866695 (1.43496e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.466405673447975 (9.92626e-08% change) linmin: converged after 3 iterations. iteration 45: trace = 6.466405669427485 (6.2175e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.466405667382207 (3.16293e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466405666184069 (1.85287e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665512342 (1.03879e-08% change) linmin: converged after 10 iterations. iteration 49: trace = 6.466405664658528 (1.32038e-08% change) large trace change predicted (3.62388e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.466405662315172 (3.62389e-08% change) large trace change predicted (1.23484e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654330202 (1.23484e-07% change) large trace change predicted (2.49052e-07%) linmin: converged after 4 iterations. iteration 52: trace = 6.466405638225295 (2.49055e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405616910763 (3.29619e-07% change) linmin: converged after 20 iterations. iteration 54: trace = 6.466405589352709 (4.26173e-07% change) linmin: converged after 7 iterations. iteration 55: trace = 6.466405565247541 (3.72775e-07% change) linmin: converged after 10 iterations. iteration 56: trace = 6.466405553446517 (1.82497e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548896816 (7.0359e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405546945157 (3.01815e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.466405546068716 (1.35538e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.466405545766956 (4.66657e-09% change) linmin: converged after 2 iterations. iteration 61: trace = 6.466405545619112 (2.28635e-09% change) linmin: converged after 3 iterations. iteration 62: trace = 6.466405545535531 (1.29253e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405545465535 (1.08246e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 6.466405545408477 (8.82368e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.466405545374013 (5.32984e-10% change) linmin: converged after 6 iterations. iteration 66: trace = 6.466405545356618 (2.68992e-10% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.5965502262115479 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674928 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140964 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606967 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898029 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.016865668391553 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418435 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707196 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364384 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839870785 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% total elapsed time for run: 4.742814064025879 done /tmp/meepFBAM2J/test_honey_rods-0: 6.71s /tmp/meepFBAM2J/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.022919416427612305 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531376 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581377 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025026 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197167 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624339 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438205 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436863 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528689 (0.000382526% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2804485287729153 (6.39261e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.2804485117540474 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314581 (9.35141e-07% change) linmin: converged after 8 iterations. iteration 12: trace = 0.2804485089210583 (7.50226e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 0.2804485089016305 (6.9274e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2804485088974218 (1.50072e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 0.280448508897052 (1.31866e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2804485088969895 (2.22877e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589493999721 (197.909% change) linmin: converged after 9 iterations. iteration 2: trace = 1.508143754927859 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.30885203849705 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329593 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.226166609694067 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652072 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880573 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842118 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833299 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073498 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209399 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060555842 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188175 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082397 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607439 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484556 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880453 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511906 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769638 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.212099650116126 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915325 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314504 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935237 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 4 iterations. iteration 25: trace = 1.211829202049093 (0.00264223% change) linmin: converged after 4 iterations. iteration 26: trace = 1.211809541117955 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378116 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161111 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648672 (0.00327605% change) linmin: converged after 12 iterations. iteration 30: trace = 1.211675291898178 (0.00195222% change) linmin: converged after 4 iterations. iteration 31: trace = 1.211662280998979 (0.0010738% change) linmin: converged after 6 iterations. iteration 32: trace = 1.211643382935836 (0.00155969% change) linmin: converged after 3 iterations. iteration 33: trace = 1.21162659992948 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078076388 (0.00103348% change) linmin: converged after 3 iterations. iteration 35: trace = 1.211602453573654 (0.000959427% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303621 (0.000342518% change) linmin: converged after 5 iterations. iteration 37: trace = 1.211596448985042 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613230226 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534408696 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947233665 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638927 (6.0383e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891730514 (2.67342e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.211589741312548 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153671 (4.80021e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.211589639031611 (3.64167e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.211589594611976 (3.66623e-06% change) linmin: converged after 16 iterations. iteration 47: trace = 1.21158956839903 (2.16352e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.211589556367128 (9.93067e-07% change) linmin: converged after 12 iterations. iteration 49: trace = 1.211589549125041 (5.97734e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.2115895441677 (4.0916e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501929 (3.85095e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 1.211589533344457 (5.08214e-07% change) linmin: converged after 9 iterations. iteration 53: trace = 1.211589524572527 (7.24002e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 1.211589518683627 (4.86047e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 1.211589515923279 (2.27829e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935591 (2.46592e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 1.211589509905646 (2.5008e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 1.211589507242269 (2.19825e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504814006 (2.0042e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 1.211589503458499 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828647 (5.19856e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 1.211589502438252 (3.22217e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003797 (3.58582e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370284 (5.22878e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031977 (2.79226e-08% change) linmin: converged after 3 iterations. iteration 66: trace = 1.211589500878287 (1.2685e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 1.21158950079275 (7.05987e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767795 (2.05974e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.21158950075596 (9.76814e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.21158950075149 (3.68917e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746368 (4.22797e-10% change) linmin: converged after 7 iterations. iteration 72: trace = 1.211589500739956 (5.29166e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.211589500735592 (3.60212e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 1.211589500732078 (2.90002e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.21158950073009 (1.64134e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 1.211589500729285 (6.64527e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 2.506809949874878 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091568 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650495 (0.0642985% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.185852279461953 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945269 (2.82781e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930404 (7.99847e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37184e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206386292 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626458423 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.32635914351785 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417050729 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659992566 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842349925 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191028 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891297 (0.00295265% change) linmin: converged after 17 iterations. iteration 9: trace = 1.321739521847481 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.32172572941 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827627019 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967652 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062615 (9.79716e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.321713670509885 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167839179 (3.80317e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.321712690348121 (3.61267e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.321712534926184 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068828 (6.37339e-06% change) linmin: converged after 10 iterations. iteration 19: trace = 1.32171239202251 (4.43862e-06% change) linmin: converged after 21 iterations. iteration 20: trace = 1.321712300288046 (6.94058e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.321712123338654 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019293129 (7.87203e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507513 (1.35268e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646560349 (1.46739e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.32171153630515 (8.34185e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.321711488278091 (3.6337e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300561 (1.28451e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138105 (3.14929e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116482 (7.72955e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723406 (2.97399e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580958 (1.07776e-08% change) linmin: converged after 12 iterations. iteration 32: trace = 1.321711465510911 (5.29973e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480893 (2.27109e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470898 (7.56242e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.321711465466492 (3.33341e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.321711465464968 (1.15297e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 1.321711465463817 (8.71069e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 1.3730783462524414 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791531 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15879e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000717308 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05437e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80896e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4468e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841856 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219118 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.67324e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2385111399178054 (4.84333e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670020124 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404602893 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.31830807614734 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425799536 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727764998 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321375499 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402655878 (0.00105619% change) linmin: converged after 5 iterations. iteration 8: trace = 1.31780603387865 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113936861 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254173948 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412525109 (6.38679e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.317796108428165 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055313722 (4.03055e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024469763 (2.34057e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013250307 (8.5138e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 1.317796004194447 (6.87197e-07% change) large trace change predicted (1.71398e-06%) linmin: converged after 4 iterations. iteration 17: trace = 1.317795981607712 (1.71398e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944620041 (2.80678e-06% change) large trace change predicted (6.37213e-06%) linmin: converged after 3 iterations. iteration 19: trace = 1.317795860650072 (6.372e-06% change) linmin: converged after 12 iterations. iteration 20: trace = 1.317795777380561 (6.31885e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 1.31779574800059 (2.22948e-06% change) linmin: converged after 16 iterations. iteration 22: trace = 1.317795733123424 (1.12894e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.317795727441445 (4.31173e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798869 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846536 (7.22671e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.317795723608519 (1.80617e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.317795723503124 (7.99781e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.317795723438862 (4.87649e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.317795723419224 (1.49024e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411639 (5.75552e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.317795723409143 (1.89407e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.31779572340844 (5.3363e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 3.053178310394287 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.71985e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.30469e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 5.09285e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.09166e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.67165e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.0908e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398264 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848053 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 12 iterations. iteration 7: trace = 0.3098213371286763 (2.99596e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3098213371284357 (7.76529e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189141428 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993799497 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436182195 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.30752816825027 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.30710837640601 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612857335 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046916447 (0.00356296% change) linmin: converged after 5 iterations. iteration 8: trace = 1.30690316799575 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582452536 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468965577 (0.000161718% change) linmin: converged after 6 iterations. iteration 11: trace = 1.306893729383213 (5.65908e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106725554 (4.76441e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656149497 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.30689237076729 (2.18367e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.306892063585956 (2.35047e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774968052 (2.20843e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.306891306623066 (3.58366e-05% change) large trace change predicted (0.000143899%) linmin: converged after 11 iterations. iteration 18: trace = 1.306889429035959 (0.000143668% change) large trace change predicted (0.000647086%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342257495 (0.000618783% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864835477 (0.00302078% change) linmin: converged after 7 iterations. iteration 21: trace = 1.30681431727907 (0.00210797% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215996903 (0.00260953% change) linmin: converged after 7 iterations. iteration 23: trace = 1.306736703688265 (0.00332979% change) linmin: converged after 5 iterations. iteration 24: trace = 1.306707762015391 (0.00221483% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694950184262 (0.000980471% change) linmin: converged after 7 iterations. iteration 26: trace = 1.306687572013256 (0.000564645% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169874993 (0.000336894% change) linmin: converged after 5 iterations. iteration 28: trace = 1.306680461142352 (0.000207299% change) linmin: converged after 3 iterations. iteration 29: trace = 1.306678614061887 (0.000141357% change) linmin: converged after 5 iterations. iteration 30: trace = 1.306677292167454 (0.000101165% change) linmin: converged after 3 iterations. iteration 31: trace = 1.306676263847242 (7.86974e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 1.306675403364562 (6.58528e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674673046392 (5.58913e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.306674108939373 (4.31712e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 1.306673737743566 (2.84077e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.30667351396107 (1.71261e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.30667336254353 (1.1588e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.306673228441995 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109728395 (9.08518e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.306673026788126 (6.34744e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971290257 (4.24727e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203631 (3.06784e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 1.306672900420406 (2.35585e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.306672873955531 (2.02536e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.30667284995383 (1.83686e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.30667282803325 (1.67759e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.306672808494411 (1.49531e-06% change) linmin: converged after 14 iterations. iteration 48: trace = 1.306672792916271 (1.1922e-06% change) linmin: converged after 10 iterations. iteration 49: trace = 1.306672780727505 (9.32809e-07% change) linmin: converged after 11 iterations. iteration 50: trace = 1.306672769619262 (8.50117e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 1.30667275826849 (8.68677e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746661385 (8.88295e-07% change) linmin: converged after 6 iterations. iteration 53: trace = 1.306672734228445 (9.51496e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.306672719745739 (1.10837e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.306672703450572 (1.24707e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.30667268574403 (1.35509e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 1.306672664175223 (1.65067e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.306672633630349 (2.33761e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.306672591460604 (3.22726e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 1.306672545961993 (3.48202e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 1.306672503510987 (3.24879e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 1.306672460349332 (3.30317e-06% change) linmin: converged after 13 iterations. iteration 63: trace = 1.306672416062792 (3.38926e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 1.306672371464127 (3.41315e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 1.306672322038946 (3.78252e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 1.306672266788318 (4.22835e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213751226 (4.05894e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.306672169749355 (3.36748e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 1.306672130588269 (2.99701e-06% change) resetting CG direction... large trace change predicted (6.25532e-06%) linmin: converged after 16 iterations. iteration 70: trace = 1.306672048852402 (6.25527e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012705562 (2.76633e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000109404 (9.63988e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995821452 (3.28158e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993013895 (2.14863e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990411293 (1.99178e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 1.30667198915404 (9.62179e-08% change) linmin: converged after 25 iterations. iteration 77: trace = 1.306671988478535 (5.16966e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987984886 (3.77791e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987250895 (5.61726e-08% change) large trace change predicted (1.1298e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985774619 (1.1298e-07% change) large trace change predicted (2.50107e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982506565 (2.50105e-07% change) large trace change predicted (5.4206e-07%) linmin: converged after 11 iterations. iteration 82: trace = 1.306671975423662 (5.42057e-07% change) linmin: converged after 8 iterations. iteration 83: trace = 1.306671966779786 (6.61518e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 1.306671961716131 (3.87523e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.306671959301204 (1.84815e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 1.306671956817843 (1.90052e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127963 (1.29327e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377692 (5.74185e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 1.306671954035964 (2.61526e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899621 (1.04344e-08% change) linmin: converged after 3 iterations. iteration 91: trace = 1.306671953836773 (4.80977e-09% change) linmin: converged after 5 iterations. iteration 92: trace = 1.306671953798491 (2.92969e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790936 (5.78209e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 1.306671953788964 (1.50933e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788107 (6.55595e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 4.135879278182983 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 8.98754e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 4.04091e-16i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -2.36127e-11 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -1.84978e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -4.84174e-12 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -4.92353e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371674 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769492 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522111 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3749802404009221 (1.59362e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.374980240382886 (4.80989e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822896 (1.59037e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3749802403822775 (3.22722e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037468976 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309343067 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984123772 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230165745 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339058738 (0.0146679% change) linmin: converged after 3 iterations. iteration 6: trace = 1.287483849663597 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.286852872035689 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 9 iterations. iteration 8: trace = 1.285207985524536 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768320604 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500817555 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726278301 (0.231794% change) linmin: converged after 9 iterations. iteration 12: trace = 1.275637347194566 (0.151604% change) linmin: converged after 6 iterations. iteration 13: trace = 1.274202244926636 (0.112564% change) linmin: converged after 6 iterations. iteration 14: trace = 1.273022593151316 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215512613 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536153105 (0.0576135% change) linmin: converged after 8 iterations. iteration 17: trace = 1.270883530954769 (0.0365038% change) linmin: converged after 6 iterations. iteration 18: trace = 1.270618409254573 (0.0208634% change) linmin: converged after 6 iterations. iteration 19: trace = 1.270378371272835 (0.0188932% change) linmin: converged after 7 iterations. iteration 20: trace = 1.270104933850805 (0.0215264% change) linmin: converged after 4 iterations. iteration 21: trace = 1.269895617280796 (0.0164816% change) linmin: converged after 6 iterations. iteration 22: trace = 1.269782882745059 (0.00887786% change) linmin: converged after 7 iterations. iteration 23: trace = 1.269719750687436 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766451559 (0.00338539% change) linmin: converged after 5 iterations. iteration 25: trace = 1.269642283701054 (0.00271591% change) linmin: converged after 3 iterations. iteration 26: trace = 1.269619087414573 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472691354 (0.000914824% change) linmin: converged after 6 iterations. iteration 28: trace = 1.26960075952771 (0.00052876% change) linmin: converged after 11 iterations. iteration 29: trace = 1.269595125044792 (0.000443801% change) linmin: converged after 6 iterations. iteration 30: trace = 1.269590376582243 (0.000374015% change) linmin: converged after 8 iterations. iteration 31: trace = 1.269587297967761 (0.000242489% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545822664 (0.000138009% change) linmin: converged after 6 iterations. iteration 33: trace = 1.269584427092741 (8.81178e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532197 (6.44747e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.269583043842194 (4.44784e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.269582710117496 (2.62862e-05% change) linmin: converged after 11 iterations. iteration 37: trace = 1.269582517553372 (1.51675e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.269582385132086 (1.04303e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.269582283106135 (8.03618e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.269582214899105 (5.3724e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.269582174667709 (3.16887e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 1.269582148213005 (2.08373e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127625049 (1.62163e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.269582111948474 (1.23478e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 1.269582102246501 (7.64186e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 1.269582096787492 (4.29985e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349984 (2.70759e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147439 (1.73486e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 1.26958208980672 (1.05603e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 1.269582088919595 (6.98754e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 1.269582088274996 (5.07726e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760964 (4.04883e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 1.269582087362722 (3.1368e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 1.269582087136661 (1.7806e-08% change) linmin: converged after 9 iterations. iteration 55: trace = 1.269582087016048 (9.50018e-09% change) linmin: converged after 7 iterations. iteration 56: trace = 1.269582086921809 (7.42286e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 1.269582086848856 (5.74622e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086811074 (2.97592e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 1.269582086792603 (1.45489e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 1.26958208678127 (8.92651e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771783 (7.47295e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086762962 (6.94774e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.269582086756905 (4.77081e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.26958208675339 (2.76878e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751108 (1.79758e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.26958208674982 (1.01405e-10% change) linmin: converged after 17 iterations. iteration 67: trace = 1.269582086748789 (8.12391e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 2.402693510055542 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 6.04367e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + -2.46288e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 1.97312e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 1.23558e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 1.15109e-11 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 2.34675e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169221 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.402503461195553 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120756 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536846 (5.5398e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024193537529455 (1.83672e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4024193537529305 (3.72448e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896085778 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423794865 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101538 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273219 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.240049955230067 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550806 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.240045445498691 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286185 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300232 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080152 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186143 (7.20948e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 1.240045257084784 (8.17386e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 1.240045257064697 (1.61986e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.24004525706123 (2.79533e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 1.240045257060959 (2.18813e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 0.6238670349121094 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by 1.59637e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by -1 + 1.53943e-14i; max ampl. = 0.472309 Fixing e-field (band 6) phase by -2.37317e-11 + -1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 2.49106e-15i; max ampl. = 0.600013 Fixing e-field (band 8) phase by -7.61896e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + -2.50349e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896235 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898796 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.2090774143742964 at Vector3<0.0, 0.0, 0.0> to 0.2647069574281045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.2527689948075879 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.3373371031125568 at Vector3<0.0, 0.0, 0.0> to 0.44249766491694126 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.44826277655382385 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.468390327176045 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.45149540295292095 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4713194836227727 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801745 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925342 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.4629066580431404 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324135 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% total elapsed time for run: 14.325102806091309 done /tmp/meepFBAM2J/test_line_defect-0: 14.35s /tmp/meepFBAM2J/test_list_split-0 ======================== /tmp/meepFBAM2J/test_list_split-0: 0.00s /tmp/meepFBAM2J/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017392635345458984 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1431887149810791 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4274742603302002 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09351849555969238 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08693289756774902 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10065364837646484 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15633082389831543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11779046058654785 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10087394714355469 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08649444580078125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08308053016662598 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08287858963012695 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06595253944396973 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07596063613891602 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10474896430969238 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12509679794311523 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2534360885620117 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1076347827911377 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001661062240600586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14235424995422363 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5603303909301758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09357333183288574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08678412437438965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10442590713500977 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15807199478149414 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11847925186157227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10109901428222656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08765578269958496 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08394098281860352 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08264899253845215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06575560569763184 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07682013511657715 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10463523864746094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12155342102050781 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.25234460830688477 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.24359393119812 done /tmp/meepFBAM2J/test_load_and_save_eigenvectors-0: 4.36s /tmp/meepFBAM2J/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011801719665527344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.4898474331528381 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.225635440105843 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470997 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911659 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372628 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528239 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 5 iterations. iteration 9: trace = 0.20908357456065 (9.06071e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2090835294053879 (2.15968e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 0.2090835264202497 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060448 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751922 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708316 (2.08556e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2090835261706046 (1.08588e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.0044171810150146484 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886063 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837789 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046524 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630085 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068837 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810976 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596138 (0.0017462% change) linmin: converged after 14 iterations. iteration 12: trace = 0.2014078549180834 (0.000446278% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2014061973776621 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838685192 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218137718 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010267281 (1.0321e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2014046853811636 (7.76822e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2014046607647911 (1.22223e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2014046519840341 (4.35976e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.2014046509571271 (5.09873e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 0.201404650782628 (8.66411e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2014046504701466 (1.55151e-07% change) linmin: converged after 24 iterations. iteration 23: trace = 0.2014046502170883 (1.25647e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.201404650174863 (2.09654e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 0.2014046501695736 (2.62627e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.2014046501670944 (1.23096e-09% change) large trace change predicted (2.5428e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.201404650161976 (2.54133e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 0.2014046501601651 (8.99114e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599528 (1.05425e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.01500558853149414 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853602696 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.187932965403088 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162403 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599349 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411789 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1879007301109863 (1.24012e-06% change) linmin: converged after 13 iterations. iteration 7: trace = 0.1879007300208399 (4.79755e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1879007300173994 (1.831e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.004712581634521484 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204473955 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.176867633415328 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.176857607226484 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062108 (0.000233816% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1768571846110664 (5.14265e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1768571842635598 (1.9649e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1768571842571172 (3.64287e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1768571842568873 (1.29944e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.0046842098236083984 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697398 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280544 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796341 (0.00405164% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1701630475985812 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206584 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28408e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1701630436771916 (1.47057e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.004216670989990234 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068122 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333089 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.167954204675805 (0.000126897% change) linmin: converged after 2 iterations. iteration 5: trace = 0.167954201880074 (1.66458e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1679542017770078 (6.13657e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.167954201774932 (1.23591e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.00422215461730957 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940614 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082772 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1727422906716331 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861118 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682354 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677769 (2.65437e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.004204988479614258 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524435 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1859938669738664 (0.00204807% change) linmin: converged after 19 iterations. iteration 4: trace = 0.1859937714047323 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390203 (2.94232e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1859937688378917 (6.06823e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.004259824752807617 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787785 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067429 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2041420414998278 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330258 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2041420413291271 (1.9098e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.00420689582824707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738395 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831464 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306991 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069986 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975027 (6.60147e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967374 (3.46671e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.0046923160552978516 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2286358930851744 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636124 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2277123246168995 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063265 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.227712284417164 (4.34391e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.227712284386013 (1.368e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2277122843842669 (7.66802e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.0046863555908203125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707298 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 5 iterations. iteration 4: trace = 0.2201021533223286 (0.939334% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2194887472932665 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.219464625857311 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027367 (0.000487029% change) linmin: converged after 5 iterations. iteration 8: trace = 0.21946331464528 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 5 iterations. iteration 9: trace = 0.2194627106479068 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688222 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143564 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685686 (2.08636e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35736e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026467 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.21946249550052 (9.69019e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.008544445037841797 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646439 (1.03552e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2042021396248772 (4.90408e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245605 (1.55114e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.0046844482421875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193464 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458177 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392235 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1959313854311262 (3.27123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1959313854307267 (2.03891e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.004707813262939453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724113 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.200826490458241 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842622 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565632 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968736 (6.97596e-05% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2007748486133251 (2.88061e-06% change) linmin: converged after 18 iterations. iteration 7: trace = 0.2007748484344857 (8.90746e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304177 (2.02616e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2007748484302034 (1.06765e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.005228281021118164 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222553 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500307 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365137 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542952 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2090835247433783 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.209083513086021 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2090835123374098 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673798 (3.34938e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835122583802 (4.30429e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572214 (5.54226e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.003257274627685547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% total elapsed time for run: 0.08724331855773926 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016117095947265625 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737096 (198.885% change) linmin: converged after 10 iterations. iteration 2: trace = 0.1466798479702051 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884268152 (7.01511% change) linmin: converged after 8 iterations. iteration 4: trace = 0.1336076174223923 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030186226 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124266258 (0.0253156% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772349639 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685219587 (0.000609643% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640372008 (0.00015415% change) linmin: converged after 5 iterations. iteration 10: trace = 0.132652933776196 (2.28122e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.1326529311517175 (1.97845e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529297895745 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923156 (7.33183e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 0.1326529296662337 (1.96618e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624064 (2.8852e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621593 (1.86261e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.004621028900146484 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952345748 (5.99259% change) linmin: converged after 8 iterations. iteration 2: trace = 0.1318813366874341 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680470923077 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043076221041 (1.97841% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263881412687 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322441814143 (0.0737925% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1275021779741062 (0.0235782% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865964471 (0.0476116% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300391561 (0.0231165% change) linmin: converged after 4 iterations. iteration 10: trace = 0.127409384942529 (0.00207604% change) linmin: converged after 4 iterations. iteration 11: trace = 0.127409008275602 (0.000295636% change) linmin: converged after 5 iterations. iteration 12: trace = 0.1274085198437589 (0.000383358% change) linmin: converged after 5 iterations. iteration 13: trace = 0.1274080628431376 (0.00035869% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683518 (6.55962e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.1274079726496691 (5.19487e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698066937 (2.2314e-06% change) linmin: converged after 12 iterations. iteration 17: trace = 0.1274079642225557 (4.38288e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1274079624507169 (1.39068e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.127407962318043 (1.04133e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.1274079622925221 (2.00308e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1274079622440875 (3.80154e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155688 (2.23838e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.1274079622132367 (1.83038e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 0.1274079622129682 (2.10812e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.1274079622125828 (3.0246e-10% change) linmin: converged after 21 iterations. iteration 26: trace = 0.1274079622122124 (2.9074e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.013500213623046875 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698992929 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382666 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343674 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 17 iterations. iteration 5: trace = 0.1169623892439101 (3.38126e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1169623869324879 (6.70185e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1169623869302094 (1.94808e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.004720926284790039 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330979 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363016 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989981 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.107479449202565 (6.41651e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.10747944899274 (6.41203e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1074794489925577 (1.69613e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.00469660758972168 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.101413708350161 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944227 (0.0693375% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478893 (1.21745e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.0042188167572021484 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312489 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477763 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840848 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.0992454023723215 (1.04396e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.09924540235031681 (2.2172e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.09924540234966142 (6.60376e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.004221439361572266 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.102374875635537 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883403 (0.000682118% change) linmin: converged after 21 iterations. iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170789 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.102344111210816 (6.11943e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1023441112106435 (1.68631e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004224061965942383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369512 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294544 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817411 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 12 iterations. iteration 5: trace = 0.1111004875283869 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048887 (2.11504e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044872 (3.61458e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.004224061965942383 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803056937 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077914 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291922 (0.00389598% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1236552585512288 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722957 (6.38332e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02949e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.004210233688354492 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1365861283694587 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) linmin: converged after 3 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747934 (5.0038e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.004675626754760742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617778 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.141582779194314 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312478 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22796e-09% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.00469970703125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1391285125980508 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816253 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281961 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256682 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 8 iterations. iteration 9: trace = 0.1366079217893785 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222035 (0.000652942% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1366069869567214 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853872576 (1.14889e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1366069843523761 (7.57561e-07% change) large trace change predicted (2.51115e-06%) linmin: converged after 16 iterations. iteration 14: trace = 0.1366069809219603 (2.51116e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728949 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486546 (1.77445e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469425 (1.25329e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.13660698014441 (1.85386e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 0.1366069801394008 (3.66686e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387246 (4.94983e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.010456085205078125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330211958 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472061 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205977 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632082 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566787 (5.08902e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1283044775564041 (2.14033e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.004680633544921875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759989881 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431211 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028865 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569695 (0.000224639% change) linmin: converged after 3 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1250652866511766 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05563e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.4756e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.004705190658569336 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754086 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499594 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.128744497849947 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198241 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657534 (8.20547e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623984 (2.60597e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.004687786102294922 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581134822 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.133095702821382 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029242 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523272 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658704 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655155 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152224 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.132652945264607 (8.75921e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.1326529452610045 (2.71578e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 0.1326529452608697 (1.01583e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003498554229736328 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% total elapsed time for run: 0.08797478675842285 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011525154113769531 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.654925390620016 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.309127554574498 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641901 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576722 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397315 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779296 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298258806017678 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982560426838611 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263999 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543166 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108617 (0.000106502% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2982519598579504 (5.91879e-06% change) linmin: converged after 25 iterations. iteration 13: trace = 0.2982519583456513 (5.07054e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2982519560571793 (7.67295e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 0.2982519551981031 (2.88037e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551550084 (1.44491e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2982519551524453 (8.5938e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507783 (5.58923e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.43345e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.0053730010986328125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.296625031537239 (4.81134% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2810412199539083 (5.39544% change) linmin: converged after 12 iterations. iteration 3: trace = 0.279707555950153 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858724529 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788775924 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192272173 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509398 (0.000408587% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2795911968916507 (2.85986e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2795911512747838 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.279591139219289 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567464 (4.15801e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2795911379221784 (4.81303e-08% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2795911378697271 (1.876e-08% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2795911378501715 (6.99437e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480384 (7.62925e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.008203744888305664 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2622850419913114 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441836 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243494 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419112 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623717 (0.000111867% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2611842413682738 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2611842409879023 (1.45633e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2611842409520099 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85697e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.0052187442779541016 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2495890152828734 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349513 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963266 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373554 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2490993774413393 (1.21069e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2490993774400478 (5.18466e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.004719257354736328 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615218 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2424595800284271 (0.125854% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2424461076700272 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513502 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.242445714710256 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82256e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2424457144901445 (2.56238e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.00422358512878418 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2406037838644208 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913600188 (0.104331% change) linmin: converged after 3 iterations. iteration 3: trace = 0.240344605830093 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818102 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.240344272608517 (2.48531e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2403442724382655 (7.08365e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2403442724330159 (2.18423e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.004201650619506836 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195067 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.247813601181322 (0.000688232% change) linmin: converged after 11 iterations. iteration 4: trace = 0.2478135705407399 (1.23644e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2478135698495613 (2.78911e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2478135698281643 (8.63432e-09% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2478135698278281 (1.35679e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.00421142578125 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126411 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456906 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479117 (4.25971e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2687921840676185 (9.22755e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2687921840087608 (2.18971e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2687921840070879 (6.2235e-10% change) linmin: converged after 8 iterations. iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.004207134246826172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313863 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488108 (0.147789% change) linmin: converged after 16 iterations. iteration 3: trace = 0.2984110530872368 (0.00393619% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2984106728909152 (0.000127407% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2984106621553145 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2984106619110481 (8.18558e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2984106619038377 (2.41627e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.004223823547363281 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3278879623914542 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976842 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3267691490121233 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855296 (1.36875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3267691033363583 (2.90472e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3267691033112136 (7.69497e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3267691033102652 (2.90221e-10% change) linmin: converged after 16 iterations. iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.004692792892456055 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.341094997463101 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905774 (0.0182379% change) linmin: converged after 3 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700712 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176962 (5.75694e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3391341088659967 (1.52446e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3391341088634663 (7.46141e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.004669904708862305 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444035 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426137 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.326379624479109 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799803 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.321548530039317 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095878 (0.00701071% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3215240569133013 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989131 (0.00088974% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3215198890578121 (0.00040655% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3215197879153998 (3.14576e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3215197847617492 (9.80857e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3215197841679531 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625632 (3.43802e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 0.321519782785552 (8.61568e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.3215197827696916 (4.93295e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.3215197827690929 (1.86223e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.008712530136108398 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2914724979423963 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397658 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380552 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217772 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190731 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741393 (1.54879e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2901214013724242 (5.91176e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.0047414302825927734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778212 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369415 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276491 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.27086079023786 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884341 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.270860725965226 (7.46955e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2708607258906749 (2.75238e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2708607258855506 (1.89185e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2708607258851873 (1.34115e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005197048187255859 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374121149 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722729 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629709 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.275094368246518 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818913 (1.68897e-07% change) linmin: converged after 31 iterations. iteration 8: trace = 0.2750943677030428 (2.86623e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2750943676888271 (5.16759e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2750943676881245 (2.55385e-10% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.00570225715637207 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3063507184999051 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400187919 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850148023 (1.40606% change) linmin: converged after 7 iterations. iteration 4: trace = 0.2982983429994934 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418700292 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.298256612754651 (0.000646795% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607023324 (0.000989774% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309343616 (0.000546438% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533168 (2.37655e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2982519569354681 (1.04537e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2982519563685623 (1.90076e-07% change) linmin: converged after 9 iterations. iteration 12: trace = 0.2982519553645563 (3.3663e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2982519551600122 (6.8581e-08% change) linmin: converged after 24 iterations. iteration 14: trace = 0.2982519551499704 (3.36689e-09% change) linmin: converged after 9 iterations. iteration 15: trace = 0.2982519551494986 (1.58166e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.004728555679321289 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% total elapsed time for run: 0.0845649242401123 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013015270233154297 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.8865138653874602 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978384 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122446 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.302614189348645 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560045 (0.00556691% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3025960087856284 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074369 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599989 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421136 (5.91063e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 0.3025956959407095 (4.64018e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.003894805908203125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3046948505447924 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.301216949397526 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.300937460060279 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030406 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741475 (6.16519e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3009297211602808 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658469 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077821 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020472 (1.90573e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.00522160530090332 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2993772621931771 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981857861 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505741 (0.0709335% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2969599541881717 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822417 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647945 (1.45388e-06% change) linmin: converged after 22 iterations. iteration 7: trace = 0.2969598362065993 (8.69462e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.2969598361844072 (7.47309e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819391 (8.31116e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.0053217411041259766 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2938435215784326 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839091663 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.292646710573389 (0.033302% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2926449733559786 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.292644919356301 (1.84523e-05% change) linmin: converged after 11 iterations. iteration 6: trace = 0.2926449176893364 (5.6962e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.292644917585685 (3.54188e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.292644917581024 (1.59273e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.292644917580711 (1.06927e-10% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.005176544189453125 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109317 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297266 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299021 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2895143959258292 (1.3494e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2895143959126513 (4.55171e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2895143959121471 (1.74156e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.004767656326293945 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.288397186365051 (0.140753% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2883890967942881 (0.00280505% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2883886834700362 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569958 (2.25842e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2883886767783876 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738496 (1.57356e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.0042171478271484375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003745 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 17 iterations. iteration 4: trace = 0.2982086207857146 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260263 (3.55351e-07% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2982086196950975 (1.03715e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982086196943686 (2.44413e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.004306316375732422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016535 (0.830279% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3265044430836114 (0.0405224% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3264980604168625 (0.00195487% change) linmin: converged after 11 iterations. iteration 4: trace = 0.326497926658615 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973251 (1.12138e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3264979228246055 (5.29006e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3264979228224313 (6.65934e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.004260063171386719 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764001 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296902 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003575 (0.00608219% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3690664377461913 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900566 (5.353e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3690664173327332 (1.78104e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.369066417318338 (3.90042e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.004209756851196289 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601687 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169411 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073967 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643571 (3.3645e-05% change) linmin: converged after 19 iterations. iteration 6: trace = 0.4155448000759103 (7.67293e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4155447999425276 (3.20983e-08% change) linmin: converged after 23 iterations. iteration 8: trace = 0.4155447999216209 (5.03117e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210301 (1.42163e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.005219221115112305 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4460423269349527 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.440137635700096 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490917 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759412 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628922 (0.000107525% change) linmin: converged after 6 iterations. iteration 6: trace = 0.4398182203781184 (2.42936e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4398182200041542 (8.5027e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4398182199097641 (2.14612e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058926 (8.80241e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.005234718322753906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940032047 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158862822 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339504996 (1.64035% change) linmin: converged after 6 iterations. iteration 4: trace = 0.4030720876485605 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480361 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470229 (0.0068844% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4024758244070208 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882406 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024755044224085 (3.25649e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4024754425634776 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798516 (9.64935e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.4024754384625254 (5.39974e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481786 (3.56464e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 0.4024754384464008 (4.41716e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452963 (2.74414e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447279 (1.41221e-10% change) linmin: converged after 16 iterations. iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.008538484573364258 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271065 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916962 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265372 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3476919224042098 (1.6875e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 0.3476919188690364 (1.01675e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3476919187143111 (4.45007e-08% change) linmin: converged after 16 iterations. iteration 8: trace = 0.3476919187046048 (2.79164e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.004747152328491211 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3136744626787956 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681898 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050024 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943587 (0.000937848% change) linmin: converged after 5 iterations. iteration 5: trace = 0.3124701893749382 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944266 (1.04986e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.3124701859365782 (5.05163e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3124701859237753 (4.09729e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3124701859233396 (1.3944e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.005293130874633789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174376 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553453 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.30144716227416 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917266 (0.00276941% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3014386435309356 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615978 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123749 (8.26778e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.3014386377980787 (4.74265e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3014386377957537 (7.71292e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.00519108772277832 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540695 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438351 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071231 (0.161988% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3025983731804751 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516379 (0.000727346% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3025957192638609 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202267 (4.78415e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3025956959692816 (4.98834e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418699 (9.05885e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3025956959407161 (3.81301e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.0032892227172851562 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% total elapsed time for run: 0.08057260513305664 done /tmp/meepFBAM2J/test_maximize_first_tm_gap-0: 0.34s /tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018990039825439453 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14353632926940918 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43159008026123047 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0934903621673584 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08666849136352539 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10028839111328125 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15621018409729004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11781120300292969 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.1021883487701416 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08630847930908203 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08316922187805176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08286857604980469 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06572246551513672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.076385498046875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1043403148651123 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15343642234802246 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32598137855529785 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.2135531902313232 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0028533935546875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23821687698364258 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1568918228149414 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.14595699310302734 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.13494038581848145 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1563704013824463 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.24286317825317383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1819934844970703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.15612506866455078 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.13461732864379883 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.129439115524292 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12879562377929688 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.10222578048706055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11787557601928711 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.16144108772277832 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1890718936920166 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.4155237674713135 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.7973673343658447 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0: 6.10s /tmp/meepFBAM2J/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002808809280395508 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.22725343704223633 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6611506938934326 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1469879150390625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.13452720642089844 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1633443832397461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.24141812324523926 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1818850040435791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.15433907508850098 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1347975730895996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.12730789184570312 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12649774551391602 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.10250568389892578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11733174324035645 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1612529754638672 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.18634462356567383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.40378332138061523 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.2756388187408447 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_multiply_bloch_phase-0: 3.28s /tmp/meepFBAM2J/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0021944046020507812 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23314404487609863 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9145488739013672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0963296890258789 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1791234016418457 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.18854713439941406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7187001705169678 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.35565805435180664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.804509162902832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5260026454925537 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.18182706832885742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.24282097816467285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14324140548706055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1691884994506836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2253875732421875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2621936798095703 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5549688339233398 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 5.800880193710327 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepFBAM2J/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepFBAM2J/test_output_charge_density-0: 5.82s /tmp/meepFBAM2J/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.003217458724975586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3138887882232666 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480435, 0.5288079654921338 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854473, 0.08910010798046349 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.40124649301804716 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258756, 0.4012519910570854 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.0928209317476265, 0.28720566826377647 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9335222244262695 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744274, 0.8445541869972999 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.76159973555864, 0.4427396122966541 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.774682184614493, 0.536749112341897 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409558, 0.3120181983255001 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.3891333928974031 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968462, 0.2776208840057367 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633575, 0.6676492387493533 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.21281051635742188 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776014, 0.794273793681514 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676533, 0.30077174113971683 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553598, 0.5586605740288401 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076888, 0.5941655354266827 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364988, 0.35472339076138104 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587057, 0.21322445833844317 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343303, 0.6232654987181568 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08724617958068848 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148872735 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.685449168526309, 0.30054212529308105 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.7833774318115911, 0.5880663066285085 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828623, 0.7295588531246435 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425297, 0.30554099771330806 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879114, 0.24673894372126293 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.096639214965609, 0.5396650770552023 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10090231895446777 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783214, 0.4356739544115278 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809138, 0.4481425123489123 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426055, 0.613901176676964 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942643, 0.7699338908225002 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.0244294608784883, 0.2578911954965593 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285345, 0.33221314071464336 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.091208062115503, 0.4329317404210019 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15791082382202148 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.441588449722544, 0.3584484766510552 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450052, 0.5328472337437873 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895480995, 0.6242704622247064 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.846587869582527, 0.7771267587387292 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650219, 0.23681211415368073 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323594138, 0.5782428829117007 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.087868963505269, 0.37950816222974504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11794567108154297 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037098027, 0.3749021561077718 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378552, 0.5082270947616313 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820271, 0.6251503072235425 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386819, 0.7355775624891373 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182574, 0.18697860294069477 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717464, 0.40777640941204735 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294314, 0.6404816835811383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10065984725952148 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749826, 0.42543224667942553 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475778, 0.43806479968823264 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094475, 0.6230094255521763 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422061, 0.5373015422302753 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792417, 0.3526636498457799 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255503, 0.42073899378393825 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150006, 0.7279717672181147 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08645176887512207 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465532, 0.07946478028057564 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468713, 0.32881162370401207 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.781466869323818, 0.22327322644250844 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502193, 0.6095695047973156 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663711, 0.6540286383396772 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130661, 0.4618905860736039 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214082, 0.761549817160464 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08319520950317383 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598175, 0.0903499596306573 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207214, 0.19597806182936175 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137293, 0.08289042691239858 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258338, 0.577797196952117 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777044, 0.7772986149165845 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709634, 0.5159863025137524 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.111621057536398, 0.7756611032532745 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08287596702575684 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160883, 0.1196586178679453 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117827, 0.11954218308179224 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757012, 0.026633379719919272 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604536, 0.2997497622839807 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666068, 0.8023568424744522 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.881981813442184, 0.8023816357258953 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556937, 0.7797381408708148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06576824188232422 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335804, 0.3658958857200597 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356566, 0.1256061520442118 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476281, 0.11295231544475384 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317921, 0.5738505597977357 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893149, 0.7904020720487933 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990091, 0.48184989547070506 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958845, 0.770610082838527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07611560821533203 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392887, 0.6769327340989405 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500913942 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677109, 0.5562411649880549 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212932, 0.24643500245468974 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160474, 0.7471141728536034 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.0102032173309077, 0.3807469886775263 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865556, 0.7236183032341824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10417652130126953 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208419, 0.776089779274942 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314983, 0.2209621669851284 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516223, 0.5549181091420519 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636716, 0.6405660798575922 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405538, 0.31622629536251884 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408293993, 0.46522856193932866 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.090385645879672, 0.5462861490341253 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12188911437988281 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904063, 0.8350614780723612 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.38702956037312425 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874305, 0.5369475337126824 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928066, 0.39062131308644865 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351244, 0.3640423031892137 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740384, 0.3229108453554062 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1000367447866688, 0.648922709689131 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25293922424316406 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.773229883948055, 0.52880796857026 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195855863, 0.08910054416160851 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882837, 0.40124662932457655 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257027, 0.4012520176853139 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317477913, 0.28720537908724586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.9910690784454346 done /tmp/meepFBAM2J/test_output_dpwr_in_objects-0: 2.99s /tmp/meepFBAM2J/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015873908996582031 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16735315322875977 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.08304786682128906 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.04800224304199219 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.04791259765625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04799818992614746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.047991037368774414 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04458141326904297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.04086565971374512 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.0443570613861084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.0514986515045166 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.055043697357177734 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05851411819458008 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.044573068618774414 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04444742202758789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.051465511322021484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.1636953353881836 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 1.0443305969238281 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepFBAM2J/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepFBAM2J/test_output_efield_z-0: 1.05s /tmp/meepFBAM2J/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017235279083251953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14514994621276855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43558359146118164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09472894668579102 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0872340202331543 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10866713523864746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1571347713470459 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11817216873168945 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10084819793701172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0864717960357666 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0829918384552002 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08267617225646973 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06558418273925781 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0760033130645752 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10411763191223145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12180805206298828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2527790069580078 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1232564449310303 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepFBAM2J/test_output_field_to_file-0-epsilon.h5... /tmp/meepFBAM2J/test_output_field_to_file-0: 2.14s /tmp/meepFBAM2J/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016369819641113281 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14279532432556152 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42743730545043945 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09357857704162598 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08680391311645508 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10049033164978027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1563735008239746 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11780762672424316 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10064888000488281 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08649992942810059 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08291745185852051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08279752731323242 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06570029258728027 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07585430145263672 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10410165786743164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12121152877807617 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25257086753845215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.100841522216797 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepFBAM2J/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepFBAM2J/test_output_tot_pwr-0: 2.11s /tmp/meepFBAM2J/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03686356544494629 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.9773582023559152 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987914 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418229 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2538047517632827 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485482 (0.506821% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2513324422133415 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456115726 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415015 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292775 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617221 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333104 (0.000308277% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2503350629329604 (0.00025366% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2503346861323353 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388485 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842641583 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 6 iterations. iteration 17: trace = 0.2503200648277941 (0.00500125% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2503038592918309 (0.00647414% change) linmin: converged after 4 iterations. iteration 19: trace = 0.2502978020837006 (0.00241997% change) linmin: converged after 6 iterations. iteration 20: trace = 0.2502965572166734 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707163532 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722228 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253181 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855963 (2.05346e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.250295517062488 (2.48949e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.2502955167761253 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556169 (1.28052e-07% change) linmin: converged after 7 iterations. iteration 28: trace = 0.2502955162302593 (9.00366e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423229 (1.54991e-07% change) large trace change predicted (7.06245e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746271 (7.06243e-07% change) large trace change predicted (1.92422e-06%) linmin: converged after 6 iterations. iteration 31: trace = 0.2502955092582567 (1.92427e-06% change) linmin: converged after 9 iterations. iteration 32: trace = 0.2502955074678324 (7.15324e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409572 (1.30596e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 0.2502955070820929 (2.35179e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452399 (1.47238e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.250295507031224 (5.59974e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289675 (9.01523e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.2502955070287157 (1.00623e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.2502955070286879 (1.10891e-11% change) Finished solving for bands 1 to 10 after 39 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077233898725 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244642872523 (118.359% change) linmin: converged after 14 iterations. iteration 3: trace = 0.5830461806925314 (19.4723% change) linmin: converged after 5 iterations. iteration 4: trace = 0.5699441144512948 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912966595823 (1.72596% change) linmin: converged after 8 iterations. iteration 6: trace = 0.5549770053260779 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217793739742 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881752849213 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197783370126 (0.0485651% change) linmin: converged after 4 iterations. iteration 10: trace = 0.5524120846135634 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402469584 (0.0131694% change) linmin: converged after 6 iterations. iteration 12: trace = 0.5523162607151277 (0.00417859% change) linmin: converged after 6 iterations. iteration 13: trace = 0.5523079347101146 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045774295 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348504931 (0.00012126% change) linmin: converged after 7 iterations. iteration 16: trace = 0.5523044939041413 (2.55197e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.552304436370554 (1.0417e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.5523044197504279 (3.00923e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605478 (5.05134e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 0.5523044161634796 (1.44317e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163841 (6.2845e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 0.55230441569158 (2.2597e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 0.5523044156388207 (9.55257e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.5523044156091991 (5.36328e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156003197 (1.60769e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970738 (5.87712e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956438 (2.58909e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.5523044155954007 (4.40226e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666542909068 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.78473693853849 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333415733299 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080400754 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437353265 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989122437 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867796627 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951039055 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878340769326 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509053679 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866377996372 (0.0235857% change) linmin: converged after 5 iterations. iteration 12: trace = 1.36962780390677 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.369391088062188 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936341475 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043664265 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.368967099875689 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763088875 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565082315 (0.00279041% change) linmin: converged after 4 iterations. iteration 19: trace = 1.368847148201917 (0.00251427% change) linmin: converged after 4 iterations. iteration 20: trace = 1.368816057033324 (0.00227137% change) linmin: converged after 4 iterations. iteration 21: trace = 1.368795335795347 (0.00151382% change) linmin: converged after 4 iterations. iteration 22: trace = 1.368783116278413 (0.000892725% change) linmin: converged after 6 iterations. iteration 23: trace = 1.368774313873091 (0.000643085% change) linmin: converged after 4 iterations. iteration 24: trace = 1.368767027164953 (0.000532354% change) linmin: converged after 6 iterations. iteration 25: trace = 1.368760736431406 (0.000459592% change) linmin: converged after 6 iterations. iteration 26: trace = 1.368755530414332 (0.000380346% change) linmin: converged after 4 iterations. iteration 27: trace = 1.368752119509268 (0.000249198% change) linmin: converged after 9 iterations. iteration 28: trace = 1.368749700077361 (0.000176762% change) linmin: converged after 4 iterations. iteration 29: trace = 1.368747854833705 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521812 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675602 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406366086 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106173446 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.368743978090969 (9.35766e-06% change) linmin: converged after 7 iterations. iteration 35: trace = 1.368743922574735 (4.056e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765814 (1.88559e-06% change) linmin: converged after 18 iterations. iteration 37: trace = 1.368743884092742 (9.25891e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.36874387767489 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873565343 (3.00242e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515612 (2.22812e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 1.368743865625732 (3.57253e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 1.368743856077915 (6.97561e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.3687438374822 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.36874380410724 (2.43836e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762213652 (3.06073e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 1.368743718469775 (3.19591e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 1.368743667117277 (3.7518e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.368743567912476 (7.24787e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 1.368743413514559 (1.12803e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170386393 (1.77629e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.36874290964695 (1.90496e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678093777 (1.69172e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429369796 (1.81717e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 1.368741979819385 (3.28441e-05% change) large trace change predicted (7.746e-05%) linmin: converged after 4 iterations. iteration 55: trace = 1.368740938892184 (7.605e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.368739090056015 (0.000135076% change) linmin: converged after 7 iterations. iteration 57: trace = 1.368737088931255 (0.000146202% change) linmin: converged after 7 iterations. iteration 58: trace = 1.368735675140507 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.368734891368119 (5.72625e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383035294 (3.71389e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.368733869786366 (3.74981e-05% change) linmin: converged after 8 iterations. iteration 62: trace = 1.36873322977382 (4.67595e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612876597 (4.50707e-05% change) linmin: converged after 9 iterations. iteration 64: trace = 1.368732103613244 (3.72069e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.368731784347857 (2.33256e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593542914 (1.39403e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 1.368731481630388 (8.17637e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.36873140674677 (5.47102e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346615034 (4.39325e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326392317 (1.47748e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305809781 (1.50377e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 1.368731292682878 (9.59056e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.36873127418859 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246832545 (1.99864e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222075328 (1.80877e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.36873120936438 (9.28666e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 1.36873120497952 (3.2036e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 1.368731202163965 (2.05705e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.36873119954496 (1.91345e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196863351 (1.95919e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 1.368731195122205 (1.27209e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194395566 (5.30885e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038993 (2.60514e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193799064 (1.75293e-08% change) linmin: converged after 3 iterations. iteration 85: trace = 1.368731193445163 (2.58561e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939764 (3.69247e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192446014 (3.60736e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191974353 (3.44597e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.36873119146021 (3.75635e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.368731190770239 (5.04095e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.36873118949346 (9.3282e-08% change) linmin: converged after 4 iterations. iteration 92: trace = 1.368731187986773 (1.10079e-07% change) linmin: converged after 6 iterations. iteration 93: trace = 1.36873118608853 (1.38686e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 1.368731183025278 (2.23802e-07% change) linmin: converged after 11 iterations. iteration 95: trace = 1.368731177621037 (3.94836e-07% change) large trace change predicted (9.62641e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164445792 (9.62588e-07% change) large trace change predicted (1.9722e-06%) linmin: converged after 5 iterations. iteration 97: trace = 1.368731137454421 (1.972e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 1.368731113464183 (1.75274e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088552563 (1.82005e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.368731069158598 (1.41693e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 1.368731058835224 (7.5423e-07% change) linmin: converged after 12 iterations. iteration 102: trace = 1.368731053232792 (4.09316e-07% change) linmin: converged after 5 iterations. iteration 103: trace = 1.368731050633556 (1.89901e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.36873104971949 (6.6782e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381487 (2.46946e-08% change) linmin: converged after 13 iterations. iteration 106: trace = 1.368731049212964 (1.23124e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049113038 (7.30065e-09% change) linmin: converged after 6 iterations. iteration 108: trace = 1.368731049042232 (5.17311e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048990504 (3.77926e-09% change) linmin: converged after 8 iterations. iteration 110: trace = 1.368731048950158 (2.94771e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048928328 (1.59488e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 1.368731048916032 (8.98362e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 1.368731048899377 (1.21681e-09% change) linmin: converged after 3 iterations. iteration 114: trace = 1.36873104886784 (2.30409e-09% change) large trace change predicted (6.63168e-09%) linmin: converged after 5 iterations. iteration 115: trace = 1.368731048777066 (6.63202e-09% change) large trace change predicted (2.5378e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429727 (2.53767e-08% change) large trace change predicted (6.62261e-08%) linmin: converged after 9 iterations. iteration 117: trace = 1.36873104752323 (6.6229e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 1.368731045912793 (1.17659e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044216875 (1.23904e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043121761 (8.00095e-08% change) linmin: converged after 8 iterations. iteration 121: trace = 1.368731041992775 (8.24841e-08% change) large trace change predicted (1.95921e-07%) linmin: converged after 6 iterations. iteration 122: trace = 1.368731039311178 (1.95919e-07% change) large trace change predicted (5.71931e-07%) linmin: converged after 7 iterations. iteration 123: trace = 1.368731031485267 (5.71764e-07% change) large trace change predicted (1.36728e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012784502 (1.36628e-06% change) linmin: converged after 7 iterations. iteration 125: trace = 1.368730990367488 (1.6378e-06% change) linmin: converged after 6 iterations. iteration 126: trace = 1.368730976295667 (1.02809e-06% change) linmin: converged after 8 iterations. iteration 127: trace = 1.368730969549118 (4.92905e-07% change) linmin: converged after 4 iterations. iteration 128: trace = 1.368730962810756 (4.92307e-07% change) large trace change predicted (1.03834e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.36873094858594 (1.03927e-06% change) linmin: converged after 5 iterations. iteration 130: trace = 1.368730920081372 (2.08255e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 1.368730882834771 (2.72125e-06% change) linmin: converged after 5 iterations. iteration 132: trace = 1.368730852396679 (2.22382e-06% change) linmin: converged after 8 iterations. iteration 133: trace = 1.368730837551955 (1.08456e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730831452813 (4.45606e-07% change) linmin: converged after 5 iterations. iteration 135: trace = 1.368730827404748 (2.95753e-07% change) linmin: converged after 5 iterations. iteration 136: trace = 1.368730824204463 (2.33814e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822420989 (1.30301e-07% change) linmin: converged after 6 iterations. iteration 138: trace = 1.368730821966607 (3.31974e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821791054 (1.28259e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 1.368730821728621 (4.56139e-09% change) linmin: converged after 9 iterations. iteration 141: trace = 1.368730821654303 (5.42966e-09% change) linmin: converged after 13 iterations. iteration 142: trace = 1.368730821507535 (1.07229e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821260757 (1.80297e-08% change) linmin: converged after 8 iterations. iteration 144: trace = 1.36873082097219 (2.10828e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820756622 (1.57495e-08% change) linmin: converged after 9 iterations. iteration 146: trace = 1.368730820641313 (8.42448e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820552402 (6.49585e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.368730820416918 (9.89858e-09% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820250079 (1.21893e-08% change) linmin: converged after 2 iterations. iteration 150: trace = 1.368730820107939 (1.03848e-08% change) linmin: converged after 5 iterations. iteration 151: trace = 1.368730819983391 (9.09955e-09% change) linmin: converged after 3 iterations. iteration 152: trace = 1.368730819761438 (1.62159e-08% change) large trace change predicted (3.43357e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819291474 (3.43358e-08% change) linmin: converged after 2 iterations. iteration 154: trace = 1.368730818410742 (6.43466e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730816945762 (1.07032e-07% change) linmin: converged after 4 iterations. iteration 156: trace = 1.368730815482099 (1.06936e-07% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730813979739 (1.09763e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811453384 (1.84576e-07% change) linmin: converged after 4 iterations. iteration 159: trace = 1.3687308066838 (3.48468e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730800936166 (4.19924e-07% change) linmin: converged after 7 iterations. iteration 161: trace = 1.368730796569594 (3.19023e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730793701978 (2.09509e-07% change) linmin: converged after 4 iterations. iteration 163: trace = 1.368730792007114 (1.23827e-07% change) linmin: converged after 14 iterations. iteration 164: trace = 1.368730790449825 (1.13776e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.36873078877671 (1.22238e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787185916 (1.16224e-07% change) linmin: converged after 16 iterations. iteration 167: trace = 1.368730786126542 (7.73983e-08% change) linmin: converged after 6 iterations. iteration 168: trace = 1.368730785641953 (3.54042e-08% change) linmin: converged after 5 iterations. iteration 169: trace = 1.368730785492087 (1.09493e-08% change) linmin: converged after 5 iterations. iteration 170: trace = 1.368730785444299 (3.49139e-09% change) linmin: converged after 7 iterations. iteration 171: trace = 1.368730785431242 (9.5399e-10% change) linmin: converged after 3 iterations. iteration 172: trace = 1.368730785427647 (2.62645e-10% change) linmin: converged after 4 iterations. iteration 173: trace = 1.368730785426458 (8.68561e-11% change) Finished solving for bands 21 to 30 after 173 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230107118482454 (192.441% change) linmin: converged after 10 iterations. iteration 2: trace = 2.817364234098258 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772500907462 (16.673% change) linmin: converged after 5 iterations. iteration 4: trace = 2.264181972599633 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266184760897 (2.63638% change) linmin: converged after 8 iterations. iteration 6: trace = 2.183248746384178 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774130834345 (0.275766% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580412369531 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739063083735 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.157022098206512 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362899544595 (0.0769504% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174695745531 (0.055143% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097710199355 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804496012085 (0.0256456% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338213212591 (0.0216717% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061655416888 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823285355223 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656547787734 (0.00775257% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547249174874 (0.00508223% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480112751347 (0.00312188% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447078138262 (0.00153616% change) linmin: converged after 6 iterations. iteration 24: trace = 2.150426792532528 (0.000943325% change) linmin: converged after 5 iterations. iteration 25: trace = 2.150415528122599 (0.000523823% change) linmin: converged after 4 iterations. iteration 26: trace = 2.150409798893993 (0.000266425% change) linmin: converged after 4 iterations. iteration 27: trace = 2.150405289612995 (0.000209694% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402141190848 (0.000146411% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399522462378 (0.000121779% change) linmin: converged after 6 iterations. iteration 30: trace = 2.15039665038708 (0.00013356% change) linmin: converged after 5 iterations. iteration 31: trace = 2.150393099657722 (0.00016512% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387655108852 (0.000253189% change) linmin: converged after 5 iterations. iteration 33: trace = 2.150380791558313 (0.000319178% change) linmin: converged after 6 iterations. iteration 34: trace = 2.150373779754988 (0.000326073% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366764597099 (0.00032623% change) linmin: converged after 7 iterations. iteration 36: trace = 2.150359397062003 (0.000342618% change) linmin: converged after 5 iterations. iteration 37: trace = 2.150351903688224 (0.000348471% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144581451 (0.000407334% change) linmin: converged after 6 iterations. iteration 39: trace = 2.150335244515378 (0.000367387% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828223113 (0.000298386% change) linmin: converged after 5 iterations. iteration 41: trace = 2.150323123442618 (0.000265298% change) linmin: converged after 5 iterations. iteration 42: trace = 2.150319840871887 (0.000152655% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369712293 (0.000114921% change) linmin: converged after 10 iterations. iteration 44: trace = 2.150315485749122 (8.76133e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485103233 (4.65349e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850325438 (2.95202e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567748734 (1.31412e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402389934 (7.68999e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 2.150313290594287 (5.19904e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 2.150313233313265 (2.66385e-06% change) linmin: converged after 10 iterations. iteration 51: trace = 2.150313205104854 (1.31183e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 2.150313191064191 (6.52959e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156568 (3.67743e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178006574 (2.395e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.150313174684764 (1.5448e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172987224 (7.89439e-08% change) linmin: converged after 21 iterations. iteration 57: trace = 2.150313171840691 (5.33193e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 2.150313171039512 (3.72587e-08% change) linmin: converged after 13 iterations. iteration 59: trace = 2.150313170619235 (1.95449e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 2.15031317031079 (1.43442e-08% change) linmin: converged after 3 iterations. iteration 61: trace = 2.150313170079609 (1.0751e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 2.150313169877512 (9.39851e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 2.150313169681881 (9.09777e-09% change) linmin: converged after 2 iterations. iteration 64: trace = 2.150313169527683 (7.17098e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349942 (8.26582e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.150313169165071 (8.59741e-09% change) linmin: converged after 11 iterations. iteration 67: trace = 2.150313168972158 (8.97138e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 2.150313168727332 (1.13856e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 2.150313168488646 (1.11001e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 2.150313168384446 (4.84579e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 2.150313168200573 (8.55098e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 2.150313168068241 (6.1541e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167955788 (5.22962e-09% change) linmin: converged after 3 iterations. iteration 74: trace = 2.150313167849613 (4.93761e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167775622 (3.44096e-09% change) linmin: converged after 3 iterations. iteration 76: trace = 2.150313167691678 (3.90378e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167607472 (3.91603e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537983 (3.23157e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462588 (3.5062e-09% change) linmin: converged after 6 iterations. iteration 80: trace = 2.150313167392504 (3.25928e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167303481 (4.13996e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.150313167175205 (5.96546e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167058008 (5.45023e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.150313166920491 (6.39521e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761648 (7.38698e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166661039 (4.67882e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 2.150313166582913 (3.63324e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 2.150313166516767 (3.0761e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 2.150313166476436 (1.87558e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 2.150313166453959 (1.04532e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166443228 (4.99022e-10% change) linmin: converged after 2 iterations. iteration 92: trace = 2.150313166437208 (2.79963e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432881 (2.01236e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 2.15031316643078 (9.7706e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 8.545615064988477 (191.103% change) linmin: converged after 8 iterations. iteration 2: trace = 3.261177020959319 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.735430573200602 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623175177841 (5.09114% change) linmin: converged after 6 iterations. iteration 5: trace = 2.527777768730765 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.486971986894361 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814644263359 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458530008747287 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010604792638 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.446951935961674 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000264878866 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801958902615 (0.0900244% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651917245068 (0.0471285% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794386046162 (0.0351559% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022815245383 (0.0316424% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314214162286 (0.0290688% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427434786529 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606064883372 (0.0337177% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080522313934 (0.0215798% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730903992929 (0.0143586% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515489420207 (0.00884796% change) linmin: converged after 4 iterations. iteration 22: trace = 2.43439015648767 (0.0051483% change) linmin: converged after 4 iterations. iteration 23: trace = 2.43428994212513 (0.0041167% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215166715971 (0.0030718% change) linmin: converged after 4 iterations. iteration 25: trace = 2.43415114845797 (0.00262997% change) linmin: converged after 4 iterations. iteration 26: trace = 2.434099388359072 (0.00212644% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069520683534 (0.00122706% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894177866 (0.00072416% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040920660008 (0.000450834% change) linmin: converged after 6 iterations. iteration 30: trace = 2.434034872116067 (0.000248498% change) linmin: converged after 5 iterations. iteration 31: trace = 2.434031134496718 (0.000153557% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967612021 (8.90246e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725302496 (5.10392e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.43402688652064 (3.44607e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138650661 (3.07256e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450920533 (2.82548e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951043302 (2.05371e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674066367 (1.13794e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 2.434024546234764 (5.25186e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 2.434024472708239 (3.02078e-06% change) linmin: converged after 16 iterations. iteration 41: trace = 2.434024422641628 (2.05695e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 2.434024388298194 (1.41097e-06% change) linmin: converged after 10 iterations. iteration 43: trace = 2.434024363245127 (1.02929e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345052513 (7.47429e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334362809 (4.39178e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.434024326947982 (3.04632e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899082 (2.48514e-07% change) linmin: converged after 3 iterations. iteration 48: trace = 2.434024317216461 (1.51298e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315166989 (8.4201e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314138627 (4.22495e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 2.434024313589964 (2.25414e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 2.434024313234834 (1.45902e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 2.434024312971761 (1.08082e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 2.434024312719699 (1.03558e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512227 (8.5238e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381284 (5.3797e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 2.434024312305171 (3.12702e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 2.434024312262395 (1.75746e-09% change) linmin: converged after 3 iterations. iteration 59: trace = 2.434024312237022 (1.04241e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222581 (5.93293e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 2.434024312214297 (3.40325e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.434024312207981 (2.59518e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 2.434024312203503 (1.83983e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200226 (1.3463e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.43402431219786 (9.72097e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 69.55634021759033 total elapsed time for run: 69.59357714653015 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 Outputting fields to /tmp/meepFBAM2J/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014231681823730469 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.8572313785552979 total elapsed time for run: 1.8716239929199219 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.012998104095458984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 2.0637335777282715 total elapsed time for run: 2.0769007205963135 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.026056766510009766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.0132524793511198 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0130986458522337 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769834863 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084975079 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01048323620427258 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.0102424409902169 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181311703 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250368119 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950457948647 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259877944545 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457250036 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656497442 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390759872 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189640433 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928752244 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120393703 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386184279 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985830843 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255178259254 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864075008 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463099257 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666980901 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414011269 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458877895238 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846779652 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766091017 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.0055155938555738 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369324857 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746813334 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747026946 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249525102 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268194269 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235690561 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278624719 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935392051 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815743333 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311781543 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878599148 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839140814 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172401122 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230763979 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631580035 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509322144 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759081667 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770868018 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282992321 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192139758 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141846617 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305231855 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782118358 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930963744 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163560864 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800609 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304593916 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076669668 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750484081 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791960272 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.00332883211888491 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826950451 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405489377 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088477782 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.003163328889122289 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524609273 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020039705 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288078289 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611726987 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980376817 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.00304485318345138 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00304064555406241 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913821156 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667379479 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581972786 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966708699 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927255687 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245945158 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00265471166395599 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953155029615 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905893 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908528192 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.00260285295116619 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623663725 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326043291 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650579867 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307084016676 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518380171 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691425381 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579229 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250769216 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.00251296899881016 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603723 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225728507 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010873554 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897776792 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003718072 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872151304 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456929799 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465741872 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438862831 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946618368 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091239039 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845140008857 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132729022 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759987037 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103136433 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.00208978615307305 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927081060265 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299239504 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753069079603 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461273639 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622915411303 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314458371 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692270596 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220944052 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715856173 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654854694 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076237050774 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712281078687 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375464254878 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295879501 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912417611 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779680649 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562248807 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449980023 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137955979 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212232295983 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093844371 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.00186792318825518 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513872030575 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211892145 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854629947 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517242709 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026902180305 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623959848 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.00183376147018975 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786144484 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047423666 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235935099906 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787630365 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978815236 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066200929 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503995081 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519153915 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963162303 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0018025281290564 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730660552 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790925785 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061939286 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044738919 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0017965541244585 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681916063 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193852691 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.0017955379464277 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519503 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452727127 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864493 (0.000750034% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735659 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873286 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886529 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309854317 (0.000465478% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965312974 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401347 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761273383 (8.66303e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816996 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150943 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519493 (5.71725e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380443 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608933502 (7.55074e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836154 (1.84151e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637419 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633504466 (1.92262e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048418 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024777415 (9.51625e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859962 (1.73203e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576212 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189145246 (1.59562e-05% change) large trace change predicted (4.80672e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617458 (4.80735e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167914 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257128391 (2.45331e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147805 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910977 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.0017951037535781 (8.54173e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903727 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259897 (2.87693e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068009 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523468026 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 3.1079084873199463 total elapsed time for run: 3.134099245071411 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.029860734939575195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114184657882724 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937402 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01023471071196789 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075714865 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094119836 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877247287 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.00866446695717939 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378830409 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00740758423591588 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721433702 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156717638 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995878973 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684017634 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447179532 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896288347 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160559399 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706280261 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734002537 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104531706 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513799384 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950173305 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941072207 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782538215 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.00316719165356456 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773809876 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198364384 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00257888861094957 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356288463 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133013872 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966297052935 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00230952225688578 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017512322 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304810562 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001869572230018964 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068869821 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323899581 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179786818 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763097633 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377056206 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965221875 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215156962916 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776484534 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335513 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473435619 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093908501 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973057045 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326814554 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853670223 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593560836 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360760188 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293563167 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054991738 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863390343 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870888203 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860413082 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208781389 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235985355 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359723673 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487716534 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286258534 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688690072 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.00113098511869201 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418166274 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081984796 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130405109 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902352011 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00109985764296582 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579151795 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041036904 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944153 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706009769 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061312677 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488237998 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724638215 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831575824 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532943453 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941722735 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482021609 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956332927 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472237663 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028338295 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945944 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568588497 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029376 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446434241 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877263584 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600265862 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096659732 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662723504 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342183289 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219091711 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448650391 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000976685423184101 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907699708 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.0009747603385530539 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131746295 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646618353 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0009739030579464571 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114917995 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111499278 (0.00192062% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097387 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524759811823 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974930681 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422981667072 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0009727738508667301 (0.00703605% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318780947 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085115 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.000972652788100856 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459000982743 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782570221 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550669275 (0.00043421% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456031 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477185902434 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835521 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398552108 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314135625 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987532097 (0.000651181% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150284 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886734 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760901 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967827628 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731552 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173627 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963283687 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982548 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290424 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832429 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010355564 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807183 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509303127 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443926 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331301186 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776645 (6.86045e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291662 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040578 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322678876 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561631 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352126 (3.41618e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585543 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.000972459650211416 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 2.0286593437194824 total elapsed time for run: 2.0586583614349365 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013619184494018555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514248 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.0131293893823858 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355348 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955219 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352510294 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413979776 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371257093 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891971312 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764865695 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851833582 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675902091234 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650039604 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944034019 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126198728 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286211165 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313957203 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857964777 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983516382 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288217489 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182198492 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500164921 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282977529 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002642331733109301 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567296367 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244822608 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035550776 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953470738 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188514256 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133717624 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.001692171162079923 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949295193 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252322982 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418586345 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430383476 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459233489 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343185326 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477416706 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240507967 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837678978412 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208429826 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884322843 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032308202 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031014585 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826396069 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255416237 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945719087 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163351396 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357448248 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183553205 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687859413 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936463082 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203004086 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544456774 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783084 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158638193 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439271515 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000584999189852645 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421320456 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312929826 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095208225 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745383402 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646077653 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954724528 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140712973 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221285828 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688545946 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127305461 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680208836 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907333682 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368370328 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.000511608216276014 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581589 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830389853 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305169946 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630958849 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004610867968616982 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611165299 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524354 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054383692 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246070159 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945087943 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789180884 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710491528 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812387 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239678319 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667574598 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248477418 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906056 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746356611 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171318294 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589956872 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856061341 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542244 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673611256 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986457235 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806051777 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303385 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905857432 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.0004437432255006679 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983482 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.000443656704665559 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975620899 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000443596595424909 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010882656 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585284 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515570951 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167245 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0004434714731012338 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151230344 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055763201 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132256 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924350159 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981872072 (0.00130674% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803079899 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054671 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721778282 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989790834 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004433937107530678 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247387 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351566106 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465956 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293131 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476687 (9.26878e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 1.7970466613769531 total elapsed time for run: 1.8108036518096924 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.031500816345214844 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313921802708361 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553266 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607493082 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370443547 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309330053 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971077283768 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280225186 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313486501 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329332547 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189450767 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947690497 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163447735 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769472903 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245604592 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611878811 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994044893297 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898350157841 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634746582 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708253777 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469704832 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922505572 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886136103 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177918705 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324685609 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221273504 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107366163 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509122882 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398965061 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936099284 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147047012 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683030569 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993311022 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904242548188 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641508177 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358344507 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863323182 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515989721 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606828225 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867285795 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836859725 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302646228 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275704825 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727051532 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005827625 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.00110859569902975 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372108893 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259085611 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911355253 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932451903935 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198763121587 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290240061 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068768647573 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000930962073371916 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277477792 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740520585527 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234266234 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000871693071466451 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145308695 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080001816 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283020192667 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553908193 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094771208 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513437934 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661539716 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891788135 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029169372 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591574285 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272537656 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.000794190965401303 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265299957 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069306927 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868584082 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743112499 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045869264 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899939187 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000728644102354961 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406317841 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000718077187500906 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846879655 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296068739 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404422598 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071703376 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000712662076958642 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716358145 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832196567 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335649579 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747960747 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344343849 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515805088 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024921158 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993797611 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428688 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075466887 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437309847 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274637296 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363022342 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.000706140318493618 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000706095099610728 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330946713 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630741 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581192479 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514747325 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475522372 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000705648336961321 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182104818 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329035974612 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515591156 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743522219 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128185 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644731049 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849887 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0007054065895959976 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952447704 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001434995 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220366 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.000705380435396726 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369695 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742080981112 (0.000113435% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075282 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218474 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.000705365103599717 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000705365060349489 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.000705363032831463 (5.34146e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 1.6782987117767334 total elapsed time for run: 1.7099530696868896 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014412164688110352 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598249 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005125724 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159436247 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476739567 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006982954 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896506772561 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869821944279 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806986723392 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008325902736362793 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435668898778 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983819601372 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948102592079 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586514291060854 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827790274 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859069506 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992560398251 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633266784209 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501597863202 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260304068634 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354748756 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914038384 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308932284200158 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506789923117 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327275611987 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641017994111 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243839982068261 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628118501227 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575621425 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00190744712172359 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521982554 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002882612 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013250786 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162157241635545 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837305204811 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181622609916 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950679983 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631723321 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578855174 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224371966 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930559096441 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334915742 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277760946 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633724335882 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499847442413 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091629092011 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624950684855 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888832388871 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178081785649 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349714469041 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172098281029 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476375286576 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683320960094 (2.79576% change) linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 98.536%) iteration 54: trace = 0.0007448033462970293 (2.16021% change) iteration 55: trace = 0.0007395076947308179 (0.71355% change) iteration 56: trace = 0.0007352820756651053 (0.573047% change) iteration 57: trace = 0.0007215688620192971 (1.88258% change) iteration 58: trace = 0.0006995830451890325 (3.09408% change) iteration 59: trace = 0.0006907662411073694 (1.26829% change) iteration 60: trace = 0.0006862752011588193 (0.652274% change) iteration 61: trace = 0.0006775510008826386 (1.27937% change) iteration 62: trace = 0.000661937396636334 (2.33128% change) iteration 63: trace = 0.0006535129760739318 (1.28084% change) iteration 64: trace = 0.0006506347976208965 (0.441388% change) iteration 65: trace = 0.0006481076264471567 (0.389172% change) iteration 66: trace = 0.0006421990570322826 (0.91584% change) iteration 67: trace = 0.0006321774802661257 (1.57278% change) iteration 68: trace = 0.0006259750952155139 (0.985951% change) iteration 69: trace = 0.000623278889516347 (0.431651% change) resetting CG direction... iteration 70: trace = 0.0006226215687630837 (0.105517% change) iteration 71: trace = 0.0006191602417820845 (0.557477% change) iteration 72: trace = 0.0006126512370827651 (1.05682% change) iteration 73: trace = 0.0005989205384044014 (2.26659% change) iteration 74: trace = 0.0005847456995950592 (2.39507% change) iteration 75: trace = 0.0005752830324279322 (1.63145% change) iteration 76: trace = 0.0005678845305126278 (1.29439% change) iteration 77: trace = 0.0005628285912797225 (0.894292% change) iteration 78: trace = 0.0005626555392125205 (0.0307516% change) switching back to exact line minimization large trace change predicted (1.22609%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005557706651917763 (1.23117% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005555986602208504 (0.0309537% change) large trace change predicted (0.468883%) linmin: converged after 3 iterations. iteration 81: trace = 0.0005530043842738982 (0.468026% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005527536657756488 (0.0453478% change) large trace change predicted (0.2609%) linmin: converged after 3 iterations. iteration 83: trace = 0.0005513180200984618 (0.260064% change) linmin: converged after 3 iterations. iteration 84: trace = 0.0005512439133230123 (0.0134427% change) large trace change predicted (0.413105%) linmin: converged after 3 iterations. iteration 85: trace = 0.0005489914337672051 (0.409454% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548404744542217 (0.106924% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005477860193878605 (0.112886% change) linmin: converged after 3 iterations. iteration 88: trace = 0.0005477247137427831 (0.0111922% change) large trace change predicted (0.107168%) linmin: converged after 4 iterations. iteration 89: trace = 0.0005471366202782986 (0.107428% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005469147207541458 (0.0405647% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0005466761418329422 (0.0436322% change) large trace change predicted (0.104467%) linmin: converged after 4 iterations. iteration 92: trace = 0.0005461037789638006 (0.104754% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458259168297896 (0.0508938% change) linmin: converged after 2 iterations. iteration 94: trace = 0.000545651339146641 (0.0319892% change) linmin: converged after 3 iterations. iteration 95: trace = 0.0005455448307391693 (0.0195214% change) large trace change predicted (0.126201%) linmin: converged after 3 iterations. iteration 96: trace = 0.0005448569642546447 (0.126168% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005447722760054545 (0.0155444% change) large trace change predicted (0.083036%) linmin: converged after 4 iterations. iteration 98: trace = 0.0005443194993251672 (0.0831476% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005443050222957469 (0.00265969% change) large trace change predicted (0.0595276%) linmin: converged after 4 iterations. iteration 100: trace = 0.0005439800093051602 (0.0597294% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005439529857108651 (0.00496788% change) large trace change predicted (0.0541096%) linmin: converged after 3 iterations. iteration 102: trace = 0.000543657633751566 (0.0543121% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005436505135158503 (0.0013097% change) large trace change predicted (0.0142613%) linmin: converged after 2 iterations. iteration 104: trace = 0.000543572946093896 (0.0142689% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005435662850020111 (0.00122543% change) large trace change predicted (0.0223306%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005434449260754796 (0.0223289% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005434406976463318 (0.000778082% change) large trace change predicted (0.0101686%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005433854614796105 (0.0101647% change) linmin: converged after 3 iterations. iteration 109: trace = 0.0005433630209173898 (0.00412985% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0005433198677410858 (0.00794218% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0005433016491217589 (0.00335326% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432904552375306 (0.00206037% change) large trace change predicted (0.00503731%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432630888115566 (0.00503729% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432405511159749 (0.00414866% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432232343119156 (0.00318774% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432227204238679 (9.45998e-05% change) large trace change predicted (0.00254651%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005432088848917903 (0.00254697% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005432080586324675 (0.000152107% change) large trace change predicted (0.00130205%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005432009854965117 (0.00130211% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005432007843361913 (3.70324e-05% change) large trace change predicted (0.00117154%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431944207952946 (0.0011715% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431939577061234 (8.5253e-05% change) large trace change predicted (0.000843668%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431893750371498 (0.000843656% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431891409549458 (4.3094e-05% change) large trace change predicted (0.000806767%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431847586501823 (0.000806777% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431843328528601 (7.83891e-05% change) large trace change predicted (0.000740693%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431803095915942 (0.000740683% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000543179959249254 (6.44984e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431795265019933 (7.96693e-05% change) large trace change predicted (0.000202366%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431784273172502 (0.000202361% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431780317806902 (7.28189e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431778501809542 (3.34328e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431776179226803 (4.27592e-05% change) large trace change predicted (0.000164561%) linmin: converged after 2 iterations. iteration 134: trace = 0.000543176724085599 (0.000164557% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431767010750109 (4.2363e-06% change) large trace change predicted (2.12489e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431765856562453 (2.12488e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431765718071127 (2.54966e-06% change) large trace change predicted (5.28436e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431762847744628 (5.28434e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431762754553261 (1.71567e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005431762667404001 (1.60444e-06% change) large trace change predicted (1.19454e-05%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005431762018560444 (1.19454e-05% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005431761980762738 (6.95865e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 2.0462465286254883 total elapsed time for run: 2.0608127117156982 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01366281509399414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459344 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042482 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226433 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114262646608427 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105778426814247 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01013639857555772 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209514276 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416124102 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991395282 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844160287 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845411724 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279331015 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864490118 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791934243 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295089338 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249097797 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950872016 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00454821626307008 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626848155 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661184533 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003401441414579496 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500870931 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866362605 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419534281 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702040715 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508290575 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055495985 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058566574 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440863474 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958935488 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503170069 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549753952 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473819884 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00173780035932814 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627719343 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809877337 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783728522 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415227613 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134873148 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642656029 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764719755 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105177768 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562989852 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.00108743367114814 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521884282 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035013724 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468268955 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009665939687700462 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303358663 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733055747 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069755231 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495180147 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129427833 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700076778 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326929656 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473208021 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.000814772592137432 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000790079348502702 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750144772 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000772667468305976 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901889924 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368877253 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165921 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134007473 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599744119 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013479041 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691332926 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608906345 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341157817 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384218669 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.000705411533580544 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508285004786 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006893877837385344 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879499206 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973036735 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496927666 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708276554 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424076794 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415589562 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962219 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858427757 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099556 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957666 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372126 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416292021 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513807541 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0006288999747737499 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921858 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812703783 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.000626904802743337 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995434704 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312007239 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788694509 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450392 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225647274 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954456881 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073482931 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428375 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162112551 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433756 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429819745 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170757117 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387217271 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226067 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340010048 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011318 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679885372 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541319 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857191 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266605454 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523970991 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706663 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607942054 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965006 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784983962 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212109 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514363969 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031520221 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099845 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208742 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673057 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128384 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.000623668112285246 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265661 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 2.787832736968994 total elapsed time for run: 2.801638603210449 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.025667905807495117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777702836 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379161198 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504605953 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375305804 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175048609 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490400305185 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993326940529 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068449824534 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042033741517 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268447758417 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074914981587171 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.0068424473100983 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462447490108 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808379186664 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963849388867 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508618371709 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607719456693 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220450095891 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098291745498 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891927072717 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517045039942 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890421897692 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917254376704 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088802517308 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905354961251 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218192750009 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970559116478 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189379115413 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181140043519 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998536383545 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919563143996 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173040973493 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415844799382 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123099137429 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365652848173 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717456680297 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605877456531 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184370411997 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709291606005 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235031558499 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435546869993 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218047810318 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833174184015 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876536841237583 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331475532206 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190901935964249 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432198162384 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679701532720463 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905174485772 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007096165986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920805724629956 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093301004699 (1.13907% change) large trace change predicted (2.68697%) linmin: converged after 3 iterations. iteration 53: trace = 0.000761528135426248 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452605624350398 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399617659225152 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447431366061 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218264872609612 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561395677295 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862155723300258 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814083599369329 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741503650176685 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992435064616 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513435801790412 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234338593133 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469457745291533 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678038498573 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481335459715 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133434824635 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060186849304 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820238752668 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619185975240027 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.000608334214180028 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816199266593 (0.718063% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484819626666 (1.43966% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995314258247 (2.76708% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612320257452 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632764663985446 (0.0682852% change) large trace change predicted (0.152933%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156431369534 (0.152941% change) large trace change predicted (0.911933%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573059832628463 (0.912666% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534005750334278 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.00055274427599954 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523218980174362 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515157998726197 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490273906202861 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973062606488 (0.0601397% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468194065228 (0.02743% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724554569566 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475043874774154 (0.0854547% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523294807735 (0.0277768% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797076870569 (0.0132687% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462877992637638 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204284860174 (0.0306425% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502535363965 (0.0494839% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795521222682 (0.0129534% change) large trace change predicted (0.0900911%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879398776338 (0.0901158% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433198611155 (0.0265253% change) large trace change predicted (0.0932212%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446350610887845 (0.0932775% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624438164947 (0.00195049% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708252562894 (0.0833238% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000544155958915407 (0.00273196% change) large trace change predicted (0.0234908%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279380228253 (0.0235293% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224436552551 (0.00100995% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439111758877257 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049303812264 (0.00114827% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403048495797 (0.0118825% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438366903992418 (0.000664618% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752654461827 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437508689527801 (0.000328368% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436882857253549 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543684890476973 (0.000624486% change) large trace change predicted (0.00985789%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436312612632965 (0.00986451% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436281807409389 (0.000566658% change) large trace change predicted (0.00213148%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616591628237 (0.00213183% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156048902152 (0.000181514% change) large trace change predicted (0.0028618%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000468416936 (0.002862% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987076421373 (0.000246358% change) large trace change predicted (0.000702186%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435948906151827 (0.00070218% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435929921312011 (0.000349247% change) large trace change predicted (0.000866577%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435882815001127 (0.000866577% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871105991721 (0.000215402% change) large trace change predicted (0.000869541%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435823838934027 (0.000869543% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435803690114208 (0.000370668% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791307631939 (0.000227795% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435777689746245 (0.000250523% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435751707260391 (0.000477991% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435739679067277 (0.00022128% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737252640443 (4.46384e-05% change) large trace change predicted (0.000217277%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725442399476 (0.000217271% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435724752420875 (1.26934e-05% change) large trace change predicted (0.000125578%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543571792640621 (0.000125577% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435717814305401 (2.0623e-06% change) large trace change predicted (1.96196e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435716747838638 (1.96196e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435716602874839 (2.66688e-06% change) large trace change predicted (4.27176e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714280874962 (4.27175e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714166124248 (2.11105e-06% change) large trace change predicted (2.06104e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713045803726 (2.06104e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435712951288903 (1.73878e-06% change) large trace change predicted (2.10131e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435711809078232 (2.10131e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435711770990963 (7.00686e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.630974292755127 total elapsed time for run: 1.6567769050598145 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.029718875885009766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863185967 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774833224 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705841226 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206141128 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914587231 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101254999134157 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881709701506 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172549101381 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877157839653 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498787756292 (2.11057% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056920432608 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108024926639 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796618362754 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474462820255 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215664354896 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156702961628 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726896251719 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952612336179 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612815687704 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077305098401 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025632710932 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987412972769 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820574125448 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331479516706 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456662601979 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517960519107 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541863440773 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277716031493 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520858154074 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871567932314 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954606964787 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742176070534 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401480554153 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658538789076 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381790441264 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927730520019 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106672370231 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217043449629 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812774042486 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068483765795 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684434178517 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485542989582 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592535747345 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151646856844 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870679438447 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995681967128 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160172788697 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.000916747039961763 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207411316604 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.000845315910739186 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202664902233 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298050946925792 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190305708065 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00079162854181852 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346521403004 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219005136344 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304581465391 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387605412753 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946250854298 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202261531445 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191450877924227 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525736362298 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006952825101851143 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243302519913 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570224824894 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288435497712 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751904863054357 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000669088687421683 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308209190745 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006658947431497208 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147732805265 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874122261623 (0.397663% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944240491453 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167738414215 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046743833662 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224092766447 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006040729301268874 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815539733843 (0.0813769% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971533915254 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478594285522 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851018423737 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925185855030427 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.00059196003377382 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395482870437 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890400906086922 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530451308513 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459056956921 (0.0352069% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693433606549 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543283532003 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866772914158684 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863761995034629 (0.0513347% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485209182793 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110691555368 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164403279337 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989725401113 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175436137281 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742773228976 (0.00740106% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585760057476 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.000584138895070905 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462455993263 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312708413394 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134763641139 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926761916925 (0.00356287% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269107374333 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235112543789 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230152130138 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125618292835 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509247703784 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005835489219978633 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902614464862 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861728487699 (0.000700716% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728536184104 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693335156781 (0.000603304% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547408249953 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540189343517 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834482943557169 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430685521981 (0.00089568% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414246136493 (0.000281765% change) linmin: converged after 2 iterations. iteration 119: trace = 0.000583440021815303 (0.000240435% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328742578728 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306782744242 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302085139139 (8.0517e-05% change) large trace change predicted (0.000409963%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278167548468 (0.000409949% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254578601202 (0.000404317% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241763966919 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834238920162862 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834234814189031 (7.03772e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229276800435 (9.4912e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000583422777757594 (2.5697e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227469414697 (5.28195e-06% change) large trace change predicted (3.57129e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225385851272 (3.57128e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225079959275 (5.24306e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223409330843 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223248947772 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221784127051 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221738396828 (7.83827e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 1.8153607845306396 total elapsed time for run: 1.845226526260376 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01345968246459961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790272 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988524 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801595 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373108091 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177208885 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408591771 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404033396 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607940587 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221060056 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739073096 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363396836 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679414089 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857372367 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909841453 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440608213 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169240911 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209893305 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918162126 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876742301 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430833046 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752727828 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899184164 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728414731 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266636267 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815916347 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653000225 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014403337 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982681894 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583129513 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976145633 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993043693 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476495419 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286550433 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162212353838028 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074293748 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884162799 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316193439 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805791781 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709360204 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00111623543338231 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949633795 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450357667 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573696028 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075200929 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329052125 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772408482 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032251132 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371473983 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944839804 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081069695 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942015712 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983221053 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021463531 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270883194 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294902495 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060370818 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493208867 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988970681 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288384622 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151783378 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190322297 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999593990964 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268060546 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794177938 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201474936 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505262758 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776250485 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834478266 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575923773 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626952816 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863133616069 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730580587 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543628497 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798910976 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998596877415 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393331692 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884665681 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234190719 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060359069 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786385157 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946466324 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163898547 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191466685 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985879651 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623110483 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396821204 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715095822 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960192314 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468567757 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290293612 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158297369 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310050715 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569783267 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750513594 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561203112 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436124974445 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772469695 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544056486 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389092806 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712456721 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539033368 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592140726 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907695426 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244202147 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201617806 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370057943893 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695511694 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838110207 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018522329 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056529515 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751854617 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957788854 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070668722 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000543615919996248 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612492462 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227215039 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063180369 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071898066 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.00054358859601461 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256609328 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997748046 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840818036 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453798377 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840383554 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863130363 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742829705516 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401718096 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593041579 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903393508 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077005028 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964873088 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898450592 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753561549 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431473075 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316679715 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196410212 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716101946184 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959679594 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921580013 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.1609179973602295 total elapsed time for run: 1.174536943435669 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013791799545288086 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298193044 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301533037 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131340065823002 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142972906174647 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468615556 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037275556 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894697410781 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077201693171 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897105585187 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493537139449 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225557790662 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992360834375 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006670707148711022 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156585908601 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769803554808 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233022473838 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812072306974 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132493966217 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441223102513 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.00375749804619481 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049608431147 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169178898424 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780792087666 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482749328674 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289448139258 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514620462402 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359171340254 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00206225991818911 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187565261313 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785434790516 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930131884017 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746440539104 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547840472606 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063387730005 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854509801499 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699721755437 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533360390276 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889725910674 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118502169543 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570245456244 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914306451573 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696598318582 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085099834844 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315847811798 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843690857711 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542238913189 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901104504688 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.00089222882172979 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236657553657 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818401916776 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335263502658 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063589903628583 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792731413529 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.000768317837295277 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615120579575 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989589652365 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092724235094 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764025318598 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748269204777 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858072162644 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316746020617 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310514575978 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272384762677 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397158021367 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664837587572 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582507514787 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764406302264 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716240992867 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938464760763 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641242639965 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250656691629 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861310018571 (0.994568% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090508931411 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593592231807 (0.456913% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530361937158 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776608078627 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056777493907 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765035536832 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134877799168 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210724651654 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000572950170249479 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824548323525 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748702563557 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973259428325 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164250848475 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685240979241484 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601598486073 (0.0816373% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452518002897 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892407550663 (0.00987123% change) large trace change predicted (0.046611%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245000603766 (0.0466703% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735233497347 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201234487485 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242095445518 (0.0169497% change) large trace change predicted (0.0719273%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172619089741 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372569088804 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224524696528 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479760857395 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908474158557 (0.0278365% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061311855421 (0.0504594% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955064155911 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228512580232 (0.0128831% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118778751996 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049865089762 (0.00122229% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005637413373947629 (0.0112898% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272003570407 (0.00250775% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328701905146 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302031810029 (0.000473183% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635667907629519 (0.0112513% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635621975576329 (0.000815027% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057562367899 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037657161913 (0.000353239% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889554967986 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882500207041 (0.000125198% change) large trace change predicted (0.00291265%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718368606323 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714629588591 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658359835452 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622611012143 (0.000634447% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005634592206841031 (0.000539597% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586717534609 (9.74216e-05% change) large trace change predicted (0.00131779%) linmin: converged after 2 iterations. iteration 120: trace = 0.000563451246499804 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495308804212 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488859421463 (0.000114463% change) large trace change predicted (0.000368047%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468122471659 (0.000368037% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634442896276727 (0.000447713% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433217870025 (0.000171772% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428100498415 (9.08232e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000563442286896471 (9.28495e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634419936475005 (5.2046e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418360346279 (2.79732e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634417906624986 (8.05267e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634415958488791 (3.45756e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415811014236 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414122970389 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634413950827437 (3.05521e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412565880829 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412488816005 (1.36775e-06% change) large trace change predicted (3.3994e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410573433432 (3.39944e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410448110749 (2.22424e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634409992211973 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634409924951389 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409673459414 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.000563440954752899 (2.23502e-06% change) large trace change predicted (1.00798e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634408979593727 (1.00798e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408714991074 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408687754137 (4.83404e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 1.1629788875579834 total elapsed time for run: 1.1769120693206787 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013400554656982422 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801604 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144277 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177223048 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408587956 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403827727 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607452543 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220838404 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873861899 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362555521 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678772904 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462856663876 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909928048 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406428773 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169359012 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209572242 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917649123 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098766993594 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431179084 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527330652 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899153946 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728573023 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266622837 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815715941 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652860022 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014983271 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827240201 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583259006 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976254398 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993259559 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476638622 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628660496 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538462435 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074622875 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884523096 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316411443 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805986955 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.0011917097095799 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433554249 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.00108243594973899 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.00107121845045674 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573834345 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753936851 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330215574 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577329504 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033286145 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373148768 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946244975 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811704082 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421113702 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984309267 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022641504 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271744184 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295651155 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451061155918 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494247323 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990052765 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289306486 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152688499 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191320719 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940900468 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268854088 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794914478 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202225589 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506114926 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484777095407 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835207942 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576633713 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627665605 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134326038 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730289698 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544199722 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000595348179189886 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597295305 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393726269 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885226191 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234280986 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.000557306306080149 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786782638 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947025942 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164461232 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021391 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986329888 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231640826 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397404792 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715634857 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960650282 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117775 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290895339 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850799 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310450219 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385225 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751148077 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175199 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125263715 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024997 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624754461276 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389623531 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712972161 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585996 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759268954 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238331 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442552366 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165299 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492408 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057079 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653024 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079867 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205707564 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752387429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334151 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121843 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508196 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613030362 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760433 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733386 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072443479 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685232 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154622 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998303329 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363563 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000543579445433883 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929086 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.00054357548636822 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251029 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402261877 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.000543572859358711 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939424 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550543 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418547 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996097 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107123 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018567 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225109 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955692 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491742 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225137 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125518 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.1555941104888916 total elapsed time for run: 1.1691360473632812 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013576030731201172 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396274532345199 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895735416 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091081478 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892773263 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111512836 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134264548 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00987943278063535 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00885106110892064 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952952031241 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408560051114 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003145631657 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00685414605224165 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474924917567 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487142524704 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413859144998 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848399666821 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121718146103 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061810781949 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00438316601402464 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707616867863 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730456564279 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003232963605492641 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832642680174 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002803732815933639 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002725499787831527 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002688778920353689 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217035233222 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239450115387 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146658689011 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857255198897 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427630163147 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910796829429 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392694279697 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012390877175 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609381198778 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179659130357 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001269484303369937 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00124595473258455 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877453793583 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884034380323 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136820478046 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916125271786 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001063426112071413 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651536852572 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780881622484 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870143909756 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318538772493 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.000880068055644531 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748430209194 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098586010984 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279013024407 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097569508062 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802219368811 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571063197923 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000751426980649221 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879897502856 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382876161394 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847681686304 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460113919857 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125195355992 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107633063429 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414539639322 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634805351842 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098183746356 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341833856041 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900666344896 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889557766171 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222296475303 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807315119314 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539325867029 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361444676808 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950705668873 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237711094804 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.00060943528135768 (0.83148% change) large trace change predicted (3.28751%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510758235764 (3.33379% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959926328641 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237136369151 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368852598585 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860345540375 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781408502864 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279160634426 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000562401753440582 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784873196465 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077447160486 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587367968293207 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444822600169 (0.0344255% change) large trace change predicted (0.0980601%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974496586074 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604257531709 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550060506588 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005572367068811221 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649067894762 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155397419369 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214361062283 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746041428932 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475251490131 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565338333275 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759572209267 (0.0686013% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580205542874 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184588816557 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000554082736280887 (0.00644695% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598592354416 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509588129941 (0.0016067% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429254436012 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212457364587 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687439932844 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545211433081 (0.00256841% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775773464506 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699660741084 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005536095366249503 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000553607371353823 (0.00039112% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521251509467 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500065698937 (0.000382725% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377419750228 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000553537118418105 (0.000112649% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205612298634 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202653339104 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147247990519 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144175622872 (5.55065e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086196230836 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083215648867 (5.38489e-05% change) large trace change predicted (0.00126844%) linmin: converged after 2 iterations. iteration 121: trace = 0.000553501300606613 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011944199211 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988068541548 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985640390089 (4.38691e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946117593462 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945788373303 (5.94803e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932144790149 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000553493126824452 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923783125213 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923348362062 (7.85491e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922186141838 (2.09979e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922027679995 (2.86295e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919787108443 (4.04806e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919610224172 (3.19579e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005534918303092458 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918202303496 (1.82097e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916946538004 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916896900589 (8.96805e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 1.0508711338043213 total elapsed time for run: 1.064584493637085 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013569831848144531 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801897 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086751 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201346 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595885 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404162249 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242481 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221225433 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873940006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363939102 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679843291 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857834297 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909951857 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081024 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169335017 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210192853 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918544907 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876776977 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430853529 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527400207 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899338552 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728505118 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908926678575 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816131881 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653190542 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014302274 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826770492 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583200286 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976228637 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.00183491999308899 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476535552 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286608148 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538428941 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074264647 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884082528 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316139796 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805753894 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709349359 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433413492 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949680086 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450403025 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725929 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752137928 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329531078 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773000743 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032745522 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371585446 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945075489 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811161043 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942066173 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983672058 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021840346 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271363829 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295426494 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060879867 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493596302 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989267484 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288712823 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152122852 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190659303 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317512 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268576874 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719572 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120200316 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505723289 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776719334 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835025049 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576482049 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627508101 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169669 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731408244 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544210216 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801536223 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597475011 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392829 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885221668 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234875802 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060928142 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786971523 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947011478 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450896 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192017575 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448488 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663225 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397363912 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.00054797277156531 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960758408 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120759 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290829545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.000546288115884633 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310624986 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838057 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751035619 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753853 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567934 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016689 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603179 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648254 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014303 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539581085 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689692 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246065 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574044 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166836 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492653 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659921 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688601906758 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078505 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406215 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338397 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121645 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511469 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042785 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764095 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447147 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696185 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158403 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543582699829404 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367057 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348219 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932601 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677432 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254499 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590561 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755401 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.3339262008666992 total elapsed time for run: 1.3476383686065674 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013219833374023438 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801897 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086751 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201346 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595885 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404162249 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242481 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221225433 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873940006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363939102 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679843291 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857834297 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909951857 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081024 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169335017 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210192853 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918544907 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876776977 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430853529 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527400207 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899338552 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728505118 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908926678575 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816131881 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653190542 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014302274 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826770492 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583200286 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976228637 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.00183491999308899 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476535552 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286608148 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538428941 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074264647 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884082528 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316139796 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805753894 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709349359 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433413492 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949680086 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450403025 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725929 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752137928 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329531078 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773000743 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032745522 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371585446 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945075489 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811161043 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942066173 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983672058 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021840346 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271363829 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295426494 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060879867 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493596302 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989267484 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288712823 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152122852 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190659303 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317512 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268576874 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719572 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120200316 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505723289 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776719334 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835025049 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576482049 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627508101 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169669 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731408244 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544210216 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801536223 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597475011 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392829 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885221668 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234875802 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060928142 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786971523 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947011478 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450896 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192017575 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448488 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663225 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397363912 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.00054797277156531 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960758408 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120759 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290829545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.000546288115884633 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310624986 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838057 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751035619 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753853 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567934 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016689 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603179 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648254 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014303 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539581085 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689692 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246065 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574044 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166836 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492653 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659921 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688601906758 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078505 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406215 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338397 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121645 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511469 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042785 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764095 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447147 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696185 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158403 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543582699829404 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367057 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348219 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932601 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677432 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254499 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590561 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755401 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 1.3716113567352295 total elapsed time for run: 1.384972095489502 done /tmp/meepFBAM2J/test_point_defect_state-0: 97.96s /tmp/meepFBAM2J/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002454042434692383 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.38735079765319824 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4666123390197754 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09358525276184082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2667827606201172 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.17325901985168457 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2697150707244873 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3469357490539551 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.17357802391052246 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2937595844268799 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.27431583404541016 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) elapsed time for k point: 0.11298775672912598 Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06621050834655762 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.21835851669311523 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10414838790893555 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15735936164855957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.4990701675415039 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 4.724714040756226 done /tmp/meepFBAM2J/test_poynting-0: 4.73s /tmp/meepFBAM2J/test_resolution-0 ======================== /tmp/meepFBAM2J/test_resolution-0: 0.00s /tmp/meepFBAM2J/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001630544662475586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.28625965118408203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0119752883911133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.17435193061828613 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08681106567382812 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10111713409423828 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.25530457496643066 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.16813087463378906 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.20375823974609375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08660674095153809 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.24365687370300293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.16144800186157227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0656886100769043 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07605242729187012 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24447131156921387 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1218271255493164 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.26975131034851074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.5602636337280273 done /tmp/meepFBAM2J/test_run_te-0: 3.56s /tmp/meepFBAM2J/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011518001556396484 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787519 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652676 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.0000012998729 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.1434781551361084 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.11627006530761719 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.006063938140869141 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.13104677200317383 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.006005048751831055 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.0060122013092041016 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707306 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.009534120559692383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995197106 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.00953817367553711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182261743 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149831233 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121560705 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.7201429283311 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849368 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415468 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.030397653579711914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.005991935729980469 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.005997180938720703 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896792296 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779076751 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660546839 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541192927 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421005224 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529299973778 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178088465 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.0452905533899 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931714884 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807205499 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681799998 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555487364 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428256385 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300095649 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528170993553 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528040938279 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909917806 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777919899 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644932098 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527510941722 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527375935867 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239901385 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102824892 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964692765 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825491118 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685205817 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543822464 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401326389 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.0452625770265 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526112936021 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967010993 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819911753 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671622196 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522125898 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371406129 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219445831 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066227611 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.0452491173374 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524755946137 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598846375 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440415653 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280634799 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119484263 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523956944066 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523792993891 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627612987 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460780173 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292473847 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.0452312267196 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951352007 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778491029 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604065592 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428051769 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250425144 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071160789 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890233255 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707616558 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523284169 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337208992 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149363372 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959719053 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768247186 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520574918305 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379702311 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182568464 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983485366 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782420939 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579342418 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374216338 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566223641 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022959879 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326728942 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412891847 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366815351 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704638 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343343 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.41958022117614746 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.0060117244720458984 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.005996227264404297 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.0060198307037353516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.0047147274017333984 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901187 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010296 at Vector3<0.0, 0.0, 0.0> to 1.581138830084637 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.9145171642303467 done /tmp/meepFBAM2J/test_run_te_no_geometry-0: 0.92s /tmp/meepFBAM2J/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024056434631347656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807219 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479104 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715982 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546983 (10.5903% change) linmin: converged after 7 iterations. iteration 5: trace = 10.73396991772579 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619623333 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976064852251 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990942053468 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260229500352 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373992737995 (3.34467% change) linmin: converged after 9 iterations. iteration 11: trace = 8.106938037463252 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014338689118 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044025288115 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221801916152 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401183182603 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380388730299 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279634982483 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129536000221192 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299384768596 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880917273189 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009129702122 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249899502796 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639031239558 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094425064427 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.961290671290445 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090597273195 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594436143475 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427077724179 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335631485183 (0.0589768% change) linmin: converged after 3 iterations. iteration 30: trace = 6.931440745256259 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493559852733 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575580355971 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.92195609265993 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902276354948 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942477778 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294697111187 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713264987 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952566331 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971371119 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744471127827 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.91409594331793 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656441302 (0.00850888% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239353786 (0.00634166% change) linmin: converged after 5 iterations. iteration 44: trace = 6.912734881148703 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643163091 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917482922 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830685809 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698772161 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335357746 (0.00661773% change) linmin: converged after 3 iterations. iteration 50: trace = 6.910392908075353 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294350785 (0.00728804% change) linmin: converged after 7 iterations. iteration 52: trace = 6.909402304212081 (0.00704798% change) linmin: converged after 6 iterations. iteration 53: trace = 6.908895116624727 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.90819191278331 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883123861 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217483654 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772690385 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583539254 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626572432 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191893147 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.89919066188786 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.897351295010338 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666671 (0.0286374% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251486704 (0.0215255% change) linmin: converged after 6 iterations. iteration 65: trace = 6.892335264246674 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058237673 (0.0229877% change) linmin: converged after 5 iterations. iteration 67: trace = 6.889435731225642 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124774062351 (0.0190303% change) linmin: converged after 6 iterations. iteration 69: trace = 6.886910011604837 (0.0176372% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233800281 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388966271 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095114696525 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.87994659843678 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316462705576 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537082326417 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914174675023 (0.00905623% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949956274 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996383308235 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000382662 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381697677 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208231382 (0.0165597% change) linmin: converged after 8 iterations. iteration 82: trace = 6.870977203084404 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687860115962 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477621416901 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565171623574 (0.0132874% change) linmin: converged after 4 iterations. iteration 86: trace = 6.865179370193868 (0.0201839% change) linmin: converged after 7 iterations. iteration 87: trace = 6.862623640204431 (0.0372344% change) linmin: converged after 5 iterations. iteration 88: trace = 6.861124924851314 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.860204110400439 (0.0134217% change) linmin: converged after 4 iterations. iteration 90: trace = 6.85899593823528 (0.0176129% change) linmin: converged after 6 iterations. iteration 91: trace = 6.858118223272071 (0.0127974% change) linmin: converged after 5 iterations. iteration 92: trace = 6.857128033211874 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784894431 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889090109 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.85577583346009 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309319313 (0.00368345% change) linmin: converged after 6 iterations. iteration 97: trace = 6.855274952922894 (0.00362279% change) linmin: converged after 4 iterations. iteration 98: trace = 6.85516080596084 (0.00166511% change) linmin: converged after 5 iterations. iteration 99: trace = 6.855076132958161 (0.00123518% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019040844 (0.00179597% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094665997 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758810104011 (0.000864863% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951473719 (0.000581476% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880432596 (0.000511635% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854645200690635 (0.000564284% change) linmin: converged after 7 iterations. iteration 106: trace = 6.854612595121025 (0.000475672% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016593008 (0.000416925% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271381482 (0.000433947% change) linmin: converged after 4 iterations. iteration 109: trace = 6.854529731098175 (0.000358015% change) linmin: converged after 3 iterations. iteration 110: trace = 6.85451032617816 (0.000283097% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854489441006676 (0.000304693% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472900205786 (0.000241314% change) linmin: converged after 3 iterations. iteration 113: trace = 6.85445619599157 (0.000243698% change) linmin: converged after 3 iterations. iteration 114: trace = 6.854435502532668 (0.000301898% change) linmin: converged after 3 iterations. iteration 115: trace = 6.854411317543918 (0.000352838% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399036010832 (0.000179177% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110525098 (0.000115703% change) large trace change predicted (0.000265242%) linmin: converged after 5 iterations. iteration 118: trace = 6.854372905680224 (0.000265517% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854352891836047 (0.000291987% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355911622 (0.000136158% change) linmin: converged after 5 iterations. iteration 121: trace = 6.85433805076562 (8.0363e-05% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854333109670031 (7.20872e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854329720452945 (4.94464e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963823953 (4.02173e-05% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854323815981874 (4.59249e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854320653827818 (4.61337e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 6.854318503350898 (3.1374e-05% change) linmin: converged after 8 iterations. iteration 128: trace = 6.85431648174432 (2.94939e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496843916 (2.20781e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314300000098 (9.75209e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678998223 (9.06001e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854312884215395 (1.15954e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 6.854311865523803 (1.48621e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.854311298648694 (8.27034e-06% change) linmin: converged after 5 iterations. iteration 135: trace = 6.854310824373635 (6.91937e-06% change) linmin: converged after 8 iterations. iteration 136: trace = 6.854310167549999 (9.58264e-06% change) linmin: converged after 5 iterations. iteration 137: trace = 6.854309289983799 (1.28031e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657384959 (9.22921e-06% change) linmin: converged after 4 iterations. iteration 139: trace = 6.854307924095668 (1.06982e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.85430741795753 (7.38423e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969999267 (6.53543e-06% change) linmin: converged after 6 iterations. iteration 142: trace = 6.854306474746234 (7.22543e-06% change) linmin: converged after 4 iterations. iteration 143: trace = 6.854306058686805 (6.07004e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757018995 (4.40114e-06% change) linmin: converged after 6 iterations. iteration 145: trace = 6.854305444789216 (4.55524e-06% change) linmin: converged after 6 iterations. iteration 146: trace = 6.854304890348724 (8.08894e-06% change) linmin: converged after 5 iterations. iteration 147: trace = 6.854304491618008 (5.81723e-06% change) linmin: converged after 6 iterations. iteration 148: trace = 6.854304291611362 (2.91797e-06% change) linmin: converged after 7 iterations. iteration 149: trace = 6.85430406097317 (3.36487e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303701030546 (5.25134e-06% change) linmin: converged after 9 iterations. iteration 151: trace = 6.854303402250228 (4.35902e-06% change) linmin: converged after 4 iterations. iteration 152: trace = 6.854303138147559 (3.85309e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877354657 (3.80481e-06% change) linmin: converged after 8 iterations. iteration 154: trace = 6.854302639862343 (3.46486e-06% change) linmin: converged after 10 iterations. iteration 155: trace = 6.854302422638009 (3.16917e-06% change) linmin: converged after 5 iterations. iteration 156: trace = 6.85430226035828 (2.36756e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.85430202299859 (3.46293e-06% change) linmin: converged after 6 iterations. iteration 158: trace = 6.854301803084193 (3.20841e-06% change) linmin: converged after 21 iterations. iteration 159: trace = 6.854301557949087 (3.57637e-06% change) linmin: converged after 13 iterations. iteration 160: trace = 6.854301404120981 (2.24426e-06% change) linmin: converged after 6 iterations. iteration 161: trace = 6.854301308364163 (1.39703e-06% change) linmin: converged after 5 iterations. iteration 162: trace = 6.854301245803399 (9.12723e-07% change) linmin: converged after 6 iterations. iteration 163: trace = 6.854301157786383 (1.28411e-06% change) linmin: converged after 9 iterations. iteration 164: trace = 6.854301069008716 (1.29521e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009962249 (8.61451e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969712035 (5.87226e-07% change) linmin: converged after 10 iterations. iteration 167: trace = 6.854300948093899 (3.15395e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932079138 (2.33645e-07% change) linmin: converged after 8 iterations. iteration 169: trace = 6.854300911085044 (3.06291e-07% change) linmin: converged after 5 iterations. iteration 170: trace = 6.854300891898116 (2.79925e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881316067 (1.54386e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873074544 (1.20239e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 6.854300860998613 (1.7618e-07% change) linmin: converged after 9 iterations. iteration 174: trace = 6.854300852081605 (1.30094e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842756837 (1.36043e-07% change) linmin: converged after 4 iterations. iteration 176: trace = 6.854300830319976 (1.81446e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822658853 (1.11771e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817999977 (6.79701e-08% change) linmin: converged after 6 iterations. iteration 179: trace = 6.854300813566252 (6.46853e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808265787 (7.73305e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.85430080189012 (9.3017e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 6.854300795458916 (9.38273e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 6.854300791299546 (6.06826e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 6.854300788181162 (4.54953e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785346512 (4.13558e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781059477 (6.25452e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.85430077849625 (3.73959e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 6.854300777083773 (2.06072e-08% change) linmin: converged after 5 iterations. iteration 189: trace = 6.854300775839437 (1.81541e-08% change) linmin: converged after 4 iterations. iteration 190: trace = 6.854300774397618 (2.10352e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773195782 (1.7534e-08% change) linmin: converged after 10 iterations. iteration 192: trace = 6.854300772733366 (6.74637e-09% change) linmin: converged after 5 iterations. iteration 193: trace = 6.854300772377667 (5.18942e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771834831 (7.91964e-09% change) linmin: converged after 4 iterations. iteration 195: trace = 6.854300771439799 (5.76327e-09% change) linmin: converged after 8 iterations. iteration 196: trace = 6.854300771270411 (2.47127e-09% change) linmin: converged after 15 iterations. iteration 197: trace = 6.854300771195954 (1.08629e-09% change) linmin: converged after 5 iterations. iteration 198: trace = 6.85430077114026 (8.1253e-10% change) linmin: converged after 6 iterations. iteration 199: trace = 6.854300771070988 (1.01064e-09% change) linmin: converged after 6 iterations. iteration 200: trace = 6.854300771010828 (8.77695e-10% change) linmin: converged after 5 iterations. iteration 201: trace = 6.854300770988376 (3.27565e-10% change) linmin: converged after 3 iterations. iteration 202: trace = 6.85430077097574 (1.8434e-10% change) linmin: converged after 5 iterations. iteration 203: trace = 6.854300770964803 (1.59564e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.8770885467529297 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537458770543 (11.2703% change) linmin: converged after 9 iterations. iteration 2: trace = 7.003247357231354 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 12 iterations. iteration 3: trace = 6.975139323720075 (0.402164% change) linmin: converged after 6 iterations. iteration 4: trace = 6.971270249796364 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746709176 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392871869965 (0.329376% change) linmin: converged after 7 iterations. iteration 7: trace = 6.931992241213145 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331502758634 (0.211718% change) linmin: converged after 5 iterations. iteration 9: trace = 6.902037334308378 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451972369 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872059050643 (0.0303758% change) large trace change predicted (0.158392%) linmin: converged after 16 iterations. iteration 12: trace = 6.888130422086455 (0.153627% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392672096422 (0.0397538% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023933438058 (0.0634695% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.851222975463971 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570430815456 (0.0387239% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532529449004 (0.029761% change) large trace change predicted (0.118503%) linmin: converged after 5 iterations. iteration 18: trace = 6.838958713011278 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261213899658 (0.0101994% change) large trace change predicted (0.0363605%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756717892115 (0.0366315% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373294781 (0.0615827% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144950362522 (0.00590547% change) large trace change predicted (0.0574304%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114320193621 (0.0590211% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314254045346 (0.0556769% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904148454289 (0.00601054% change) large trace change predicted (0.0472522%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507846213498 (0.0497903% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042496114999 (0.0214899% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386908592947 (0.00961594% change) large trace change predicted (0.0746118%) linmin: converged after 5 iterations. iteration 29: trace = 6.811801979469831 (0.0819554% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011809866311 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751566516852 (0.0185047% change) large trace change predicted (0.0614978%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453215230848 (0.0631405% change) linmin: converged after 3 iterations. iteration 33: trace = 6.805025641051587 (0.00628301% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.802964560161085 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346849465774 (0.0384864% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157588018116 (0.00278315% change) large trace change predicted (0.0152533%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129591064455 (0.0151184% change) linmin: converged after 3 iterations. iteration 38: trace = 6.797753748529395 (0.0202376% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626611652197 (0.0018703% change) large trace change predicted (0.00964375%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985848418216 (0.00942672% change) linmin: converged after 4 iterations. iteration 41: trace = 6.796346974237312 (0.00939982% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284306755298 (0.00092208% change) large trace change predicted (0.00629695%) linmin: converged after 4 iterations. iteration 43: trace = 6.795867526962835 (0.00613265% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406396346936 (0.00678569% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367588222659 (0.000571095% change) large trace change predicted (0.00284232%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177118671837 (0.00280297% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940917809682 (0.00347607% change) linmin: converged after 5 iterations. iteration 48: trace = 6.794907135235329 (0.000497174% change) large trace change predicted (0.00433788%) linmin: converged after 4 iterations. iteration 49: trace = 6.79461593008832 (0.00428573% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255732232035 (0.00530137% change) linmin: converged after 6 iterations. iteration 51: trace = 6.794217399161713 (0.0005642% change) large trace change predicted (0.00335304%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991211603265 (0.00332917% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728115043741 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694256794119 (0.000498376% change) large trace change predicted (0.00365895%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263012027 (0.00365042% change) linmin: converged after 4 iterations. iteration 56: trace = 6.79319685158562 (0.00367142% change) linmin: converged after 9 iterations. iteration 57: trace = 6.793167321985417 (0.000434695% change) large trace change predicted (0.00302389%) linmin: converged after 5 iterations. iteration 58: trace = 6.792962144869102 (0.00302039% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383436505 (0.00274937% change) linmin: converged after 4 iterations. iteration 60: trace = 6.792756986167655 (0.000270836% change) large trace change predicted (0.00165708%) linmin: converged after 5 iterations. iteration 61: trace = 6.792644652658681 (0.00165374% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550296052503 (0.00138911% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537663864187 (0.000185971% change) large trace change predicted (0.00160148%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429265012766 (0.00159586% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340576376375 (0.00130571% change) linmin: converged after 16 iterations. iteration 66: trace = 6.792331550527897 (0.000132883% change) large trace change predicted (0.000841255%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274568698177 (0.000838918% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438769073 (0.000546651% change) linmin: converged after 11 iterations. iteration 69: trace = 6.792232609045143 (7.11065e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228297098191 (6.34835e-05% change) large trace change predicted (0.00110164%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153696178212 (0.00109833% change) linmin: converged after 12 iterations. iteration 72: trace = 6.792149583711656 (6.05473e-05% change) large trace change predicted (0.000708861%) linmin: converged after 5 iterations. iteration 73: trace = 6.792101528889144 (0.000707508% change) linmin: converged after 5 iterations. iteration 74: trace = 6.792099860165784 (2.45686e-05% change) large trace change predicted (0.000619125%) linmin: converged after 4 iterations. iteration 75: trace = 6.792057870211257 (0.000618219% change) linmin: converged after 27 iterations. iteration 76: trace = 6.792056167172855 (2.5074e-05% change) large trace change predicted (0.000403867%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028720633257 (0.000404098% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026996687894 (2.53819e-05% change) large trace change predicted (0.000260596%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009276372577 (0.000260899% change) linmin: converged after 4 iterations. iteration 80: trace = 6.792008452394795 (1.21316e-05% change) large trace change predicted (0.000159639%) linmin: converged after 3 iterations. iteration 81: trace = 6.79199759856979 (0.000159803% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904837159 (1.0214e-05% change) large trace change predicted (8.62686e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991042742044 (8.63089e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706015693 (4.9577e-06% change) large trace change predicted (6.51946e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.79198627771271 (6.51989e-05% change) linmin: converged after 4 iterations. iteration 86: trace = 6.791986002491485 (4.05215e-06% change) large trace change predicted (5.28282e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982413729166 (5.28382e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.791981792179875 (9.15122e-06% change) large trace change predicted (5.89448e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977793987513 (5.88664e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 6.791976820418645 (1.43341e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 6.791975633273901 (1.74786e-05% change) linmin: converged after 10 iterations. iteration 92: trace = 6.791973900510644 (2.55119e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 6.79197342735875 (6.96634e-06% change) large trace change predicted (1.82842e-05%) linmin: converged after 3 iterations. iteration 94: trace = 6.79197218562005 (1.82824e-05% change) linmin: converged after 7 iterations. iteration 95: trace = 6.791971554510297 (9.292e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 6.791970944564885 (8.98039e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.79197020424627 (1.08999e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818866197 (5.67405e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.791969226500072 (8.72157e-06% change) linmin: converged after 12 iterations. iteration 100: trace = 6.79196870849545 (7.62672e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 6.791968633626281 (1.10232e-06% change) large trace change predicted (5.10903e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968286614616 (5.10915e-06% change) linmin: converged after 7 iterations. iteration 103: trace = 6.791968271359229 (2.24609e-07% change) large trace change predicted (2.51701e-06%) linmin: converged after 4 iterations. iteration 104: trace = 6.791968100409844 (2.51693e-06% change) linmin: converged after 4 iterations. iteration 105: trace = 6.791968092597848 (1.15018e-07% change) large trace change predicted (2.05412e-06%) linmin: converged after 2 iterations. iteration 106: trace = 6.791967953083027 (2.05411e-06% change) linmin: converged after 7 iterations. iteration 107: trace = 6.791967948031305 (7.43779e-08% change) large trace change predicted (1.46229e-06%) linmin: converged after 7 iterations. iteration 108: trace = 6.791967848710163 (1.46233e-06% change) linmin: converged after 13 iterations. iteration 109: trace = 6.791967845213797 (5.1478e-08% change) large trace change predicted (1.32193e-06%) linmin: converged after 5 iterations. iteration 110: trace = 6.791967755430326 (1.32191e-06% change) linmin: converged after 6 iterations. iteration 111: trace = 6.791967750703794 (6.959e-08% change) large trace change predicted (1.19531e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967669514257 (1.19538e-06% change) linmin: converged after 9 iterations. iteration 113: trace = 6.791967666687638 (4.16171e-08% change) large trace change predicted (7.69574e-07%) linmin: converged after 4 iterations. iteration 114: trace = 6.791967614419717 (7.69555e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.791967611014348 (5.01382e-08% change) large trace change predicted (3.20606e-07%) linmin: converged after 25 iterations. iteration 116: trace = 6.791967589238912 (3.20606e-07% change) linmin: converged after 9 iterations. iteration 117: trace = 6.791967586997452 (3.30016e-08% change) large trace change predicted (2.80841e-07%) linmin: converged after 2 iterations. iteration 118: trace = 6.791967567922804 (2.80841e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206625 (8.62276e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 6.791967551088215 (1.61633e-07% change) linmin: converged after 4 iterations. iteration 121: trace = 6.791967543190053 (1.16287e-07% change) linmin: converged after 17 iterations. iteration 122: trace = 6.791967536851629 (9.33224e-08% change) linmin: converged after 21 iterations. iteration 123: trace = 6.791967524533746 (1.8136e-07% change) linmin: converged after 9 iterations. iteration 124: trace = 6.791967521931811 (3.8309e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.791967517045971 (7.19356e-08% change) linmin: converged after 11 iterations. iteration 126: trace = 6.79196751659859 (6.58691e-09% change) large trace change predicted (5.53959e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.791967512836083 (5.53964e-08% change) linmin: converged after 21 iterations. iteration 128: trace = 6.791967512490546 (5.08743e-09% change) large trace change predicted (3.88715e-08%) linmin: converged after 19 iterations. iteration 129: trace = 6.791967509850352 (3.88723e-08% change) linmin: converged after 4 iterations. iteration 130: trace = 6.791967509709573 (2.07273e-09% change) large trace change predicted (5.20863e-08%) linmin: converged after 20 iterations. iteration 131: trace = 6.791967506171849 (5.20869e-08% change) linmin: converged after 20 iterations. iteration 132: trace = 6.79196750602184 (2.20862e-09% change) large trace change predicted (5.55664e-08%) linmin: converged after 10 iterations. iteration 133: trace = 6.791967502247739 (5.55671e-08% change) linmin: converged after 16 iterations. iteration 134: trace = 6.791967502136398 (1.63931e-09% change) large trace change predicted (2.59003e-08%) linmin: converged after 4 iterations. iteration 135: trace = 6.791967500377262 (2.59002e-08% change) linmin: converged after 30 iterations. iteration 136: trace = 6.791967500303233 (1.08995e-09% change) large trace change predicted (1.49122e-08%) linmin: converged after 2 iterations. iteration 137: trace = 6.791967499290397 (1.49123e-08% change) linmin: converged after 4 iterations. iteration 138: trace = 6.791967499234445 (8.23805e-10% change) large trace change predicted (1.08059e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498500507 (1.0806e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.791967498334164 (2.44912e-09% change) linmin: converged after 30 iterations. iteration 141: trace = 6.791967498254754 (1.16918e-09% change) large trace change predicted (3.81809e-09%) linmin: converged after 9 iterations. iteration 142: trace = 6.79196749799543 (3.81809e-09% change) linmin: converged after 23 iterations. iteration 143: trace = 6.79196749794482 (7.45148e-10% change) large trace change predicted (4.68143e-09%) linmin: converged after 4 iterations. iteration 144: trace = 6.791967497626859 (4.68142e-09% change) linmin: converged after 17 iterations. iteration 145: trace = 6.791967497596886 (4.41306e-10% change) large trace change predicted (6.65759e-09%) linmin: converged after 4 iterations. iteration 146: trace = 6.791967497144714 (6.65745e-09% change) linmin: converged after 15 iterations. iteration 147: trace = 6.791967497128221 (2.42838e-10% change) large trace change predicted (4.64755e-09%) linmin: converged after 13 iterations. iteration 148: trace = 6.791967496812549 (4.64772e-09% change) linmin: converged after 22 iterations. iteration 149: trace = 6.791967496783056 (4.34231e-10% change) large trace change predicted (1.8846e-09%) linmin: converged after 3 iterations. iteration 150: trace = 6.791967496655055 (1.88459e-09% change) linmin: converged after 5 iterations. iteration 151: trace = 6.791967496643834 (1.65213e-10% change) large trace change predicted (1.76711e-09%) linmin: converged after 20 iterations. iteration 152: trace = 6.791967496523808 (1.76717e-09% change) linmin: converged after 6 iterations. iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 1.8223519325256348 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233662613292 (0.0293394% change) large trace change predicted (0.119593%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228730676621 (0.11815% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767888516656562 (0.0493417% change) linmin: converged after 4 iterations. iteration 4: trace = 6.766771631127858 (0.0165041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765535637176449 (0.0182673% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292073661334 (0.00360013% change) large trace change predicted (0.0160506%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215417296434 (0.0159157% change) linmin: converged after 4 iterations. iteration 8: trace = 6.764074531351157 (0.00208283% change) large trace change predicted (0.00881703%) linmin: converged after 4 iterations. iteration 9: trace = 6.76347833436666 (0.00881456% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763113180777198 (0.00539905% change) linmin: converged after 4 iterations. iteration 11: trace = 6.762840562813345 (0.00403103% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762590213357559 (0.00370191% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500265914912 (0.00133008% change) large trace change predicted (0.00531666%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138865384413 (0.00534433% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074386137362 (0.000953538% change) large trace change predicted (0.00413297%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792967852388 (0.0041618% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761638007231685 (0.00229174% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443532342174 (0.00287619% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761354010678641 (0.00132401% change) linmin: converged after 4 iterations. iteration 20: trace = 6.76131176236402 (0.000624852% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229213826009 (0.0012209% change) linmin: converged after 4 iterations. iteration 22: trace = 6.761215114069401 (0.000208539% change) large trace change predicted (0.00158179%) linmin: converged after 3 iterations. iteration 23: trace = 6.761108202603172 (0.00158126% change) linmin: converged after 6 iterations. iteration 24: trace = 6.761091262548052 (0.000250552% change) large trace change predicted (0.00137182%) linmin: converged after 3 iterations. iteration 25: trace = 6.760998500904947 (0.001372% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760977540918202 (0.000310014% change) linmin: converged after 3 iterations. iteration 27: trace = 6.760936818602294 (0.000602316% change) linmin: converged after 3 iterations. iteration 28: trace = 6.760921245870161 (0.000230334% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910140766615 (0.000164254% change) linmin: converged after 4 iterations. iteration 30: trace = 6.760890267409732 (0.000293945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887279606997 (4.41925e-05% change) large trace change predicted (0.000191503%) linmin: converged after 4 iterations. iteration 32: trace = 6.76087432380865 (0.000191629% change) linmin: converged after 5 iterations. iteration 33: trace = 6.760866479924875 (0.000116019% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856609052698 (0.000146% change) linmin: converged after 4 iterations. iteration 35: trace = 6.760848850846902 (0.000114752% change) linmin: converged after 4 iterations. iteration 36: trace = 6.760841846916914 (0.000103595% change) linmin: converged after 5 iterations. iteration 37: trace = 6.760835956037811 (8.71324e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832922137637 (4.48746e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829248087384 (5.43432e-05% change) linmin: converged after 7 iterations. iteration 40: trace = 6.760828391113448 (1.26756e-05% change) large trace change predicted (5.84605e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.760824439385647 (5.84504e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.760823785391183 (9.6733e-06% change) large trace change predicted (5.63834e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760819975198059 (5.6357e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760819020343801 (1.41234e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.760817398079341 (2.39951e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.760816323511408 (1.58941e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.760816115112642 (3.08245e-06% change) large trace change predicted (1.47954e-05%) linmin: converged after 5 iterations. iteration 48: trace = 6.76081511475625 (1.47964e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.760815018399315 (1.42523e-06% change) large trace change predicted (1.20633e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814202728658 (1.20647e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814120506232 (1.21616e-06% change) large trace change predicted (7.45288e-06%) linmin: converged after 3 iterations. iteration 52: trace = 6.760813616582729 (7.45359e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.760813488287585 (1.89763e-06% change) large trace change predicted (5.56532e-06%) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112035367 (5.56519e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 6.760812918398767 (2.8641e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805893701 (1.66408e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.760812646718302 (2.35438e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 6.760812619024847 (4.09617e-07% change) large trace change predicted (1.70591e-06%) linmin: converged after 3 iterations. iteration 59: trace = 6.760812503693161 (1.70588e-06% change) linmin: converged after 14 iterations. iteration 60: trace = 6.760812471727117 (4.72814e-07% change) large trace change predicted (1.43361e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.76081237480401 (1.4336e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.760812349747429 (3.70615e-07% change) linmin: converged after 17 iterations. iteration 63: trace = 6.760812314229788 (5.25346e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812295449118 (2.77787e-07% change) linmin: converged after 20 iterations. iteration 65: trace = 6.760812271116999 (3.59899e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.76081224084399 (4.47772e-07% change) linmin: converged after 16 iterations. iteration 67: trace = 6.760812234776371 (8.97469e-08% change) large trace change predicted (3.74055e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812209486301 (3.74069e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 6.760812207260066 (3.29285e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.760812205380207 (2.78052e-08% change) large trace change predicted (1.24909e-07%) linmin: converged after 4 iterations. iteration 71: trace = 6.760812196935282 (1.2491e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812194740354 (3.24654e-08% change) large trace change predicted (8.68792e-08%) linmin: converged after 13 iterations. iteration 73: trace = 6.760812188866579 (8.68797e-08% change) linmin: converged after 3 iterations. iteration 74: trace = 6.760812184724538 (6.12654e-08% change) linmin: converged after 22 iterations. iteration 75: trace = 6.760812181341919 (5.00327e-08% change) linmin: converged after 19 iterations. iteration 76: trace = 6.760812177223904 (6.09101e-08% change) linmin: converged after 17 iterations. iteration 77: trace = 6.760812174274005 (4.36323e-08% change) large trace change predicted (1.00514e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.760812167478436 (1.00514e-07% change) linmin: converged after 19 iterations. iteration 79: trace = 6.760812165891807 (2.3468e-08% change) large trace change predicted (8.21563e-08%) linmin: converged after 26 iterations. iteration 80: trace = 6.760812160337361 (8.21565e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.76081215907644 (1.86504e-08% change) large trace change predicted (6.15184e-08%) linmin: converged after 7 iterations. iteration 82: trace = 6.760812154917349 (6.15176e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151232336 (5.45055e-08% change) linmin: converged after 17 iterations. iteration 84: trace = 6.760812150102741 (1.6708e-08% change) linmin: converged after 7 iterations. iteration 85: trace = 6.760812149057777 (1.54562e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.760812148328064 (1.07933e-08% change) linmin: converged after 8 iterations. iteration 87: trace = 6.760812147806423 (7.71566e-09% change) linmin: converged after 5 iterations. iteration 88: trace = 6.760812146972909 (1.23286e-08% change) linmin: converged after 18 iterations. iteration 89: trace = 6.760812146792507 (2.66835e-09% change) large trace change predicted (1.05487e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146079321 (1.05488e-08% change) linmin: converged after 4 iterations. iteration 91: trace = 6.76081214588122 (2.93012e-09% change) large trace change predicted (9.16672e-09%) linmin: converged after 4 iterations. iteration 92: trace = 6.760812145261479 (9.16667e-09% change) linmin: converged after 6 iterations. iteration 93: trace = 6.760812144890995 (5.47988e-09% change) linmin: converged after 18 iterations. iteration 94: trace = 6.760812144766787 (1.83718e-09% change) large trace change predicted (3.94247e-09%) linmin: converged after 10 iterations. iteration 95: trace = 6.760812144500255 (3.9423e-09% change) linmin: converged after 21 iterations. iteration 96: trace = 6.760812144457378 (6.34196e-10% change) large trace change predicted (2.12111e-09%) linmin: converged after 8 iterations. iteration 97: trace = 6.76081214431397 (2.12116e-09% change) linmin: converged after 5 iterations. iteration 98: trace = 6.760812144230774 (1.23056e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 6.76081214416757 (9.34866e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.760812144072368 (1.40815e-09% change) linmin: converged after 15 iterations. iteration 101: trace = 6.760812144043551 (4.26235e-10% change) large trace change predicted (1.03597e-09%) linmin: converged after 4 iterations. iteration 102: trace = 6.760812143973515 (1.0359e-09% change) linmin: converged after 6 iterations. iteration 103: trace = 6.760812143964135 (1.38742e-10% change) large trace change predicted (5.84988e-10%) linmin: converged after 2 iterations. iteration 104: trace = 6.760812143924595 (5.84853e-10% change) linmin: converged after 6 iterations. iteration 105: trace = 6.760812143886893 (5.57646e-10% change) linmin: converged after 22 iterations. iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 1.3390302658081055 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819508219988 (0.0683417% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521845247693 (0.0484155% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878728174198 (0.0388226% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531546238578 (0.00510059% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812313465 (0.00988414% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278629640603 (0.00852512% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018729206464 (0.00381917% change) large trace change predicted (0.00764415%) linmin: converged after 4 iterations. iteration 8: trace = 6.80449975807835 (0.00762659% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166040104378 (0.00490449% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208365732 (0.00539143% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143705532 (0.00424867% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404286916172 (0.00155593% change) large trace change predicted (0.00417119%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569359131 (0.00418502% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867686857146 (0.00370252% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805672849434 (0.00091159% change) large trace change predicted (0.0037265%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551008999021 (0.00374358% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508927733024 (0.000618612% change) large trace change predicted (0.00153195%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404655808074 (0.00153286% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520587534 (0.00186899% change) linmin: converged after 4 iterations. iteration 20: trace = 6.802247414972667 (0.000442582% change) large trace change predicted (0.00128702%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763826145 (0.00128857% change) linmin: converged after 3 iterations. iteration 22: trace = 6.802097108498234 (0.000921114% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077230209528 (0.000292238% change) large trace change predicted (0.00072329%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028030225554 (0.000723311% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006232245031 (0.000320463% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991480857499 (0.000216868% change) linmin: converged after 13 iterations. iteration 27: trace = 6.801969336139529 (0.000325563% change) linmin: converged after 5 iterations. iteration 28: trace = 6.801957256082648 (0.000177597% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951800071285 (8.02124e-05% change) large trace change predicted (0.00022194%) linmin: converged after 4 iterations. iteration 30: trace = 6.801936705854001 (0.00022191% change) linmin: converged after 3 iterations. iteration 31: trace = 6.801934035172881 (3.92635e-05% change) large trace change predicted (0.000217614%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919236975676 (0.000217559% change) linmin: converged after 3 iterations. iteration 33: trace = 6.80191452512863 (6.92723e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.801907420469828 (0.000104451% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902690706328 (6.95359e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.801901466978578 (1.7991e-05% change) large trace change predicted (5.37537e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.801897810855744 (5.37515e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895847802752 (2.88604e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985013194 (2.73863e-05% change) linmin: converged after 19 iterations. iteration 40: trace = 6.801891470055961 (3.69744e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 6.80189069006492 (1.14673e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235253484 (2.13883e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888192197239 (1.53348e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.801887967651422 (3.30123e-06% change) large trace change predicted (7.31743e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887469940185 (7.31725e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.801886974159298 (7.28887e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.801886743571457 (3.39006e-06% change) large trace change predicted (1.27356e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.801885877252749 (1.27364e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885687267485 (2.79313e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 6.801885358673595 (4.83092e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885210568678 (2.17741e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 6.801885140350342 (1.03234e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 6.801885017801631 (1.80169e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 6.801884971862796 (6.75384e-07% change) large trace change predicted (1.65889e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884859025914 (1.65891e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.801884765491366 (1.37513e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.801884741932468 (3.46358e-07% change) large trace change predicted (7.34039e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692003786 (7.34042e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 6.80188466050531 (4.63085e-07% change) linmin: converged after 21 iterations. iteration 60: trace = 6.801884645428476 (2.21657e-07% change) linmin: converged after 20 iterations. iteration 61: trace = 6.801884621153685 (3.56883e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 6.80188460993198 (1.64979e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 6.801884594016375 (2.33988e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.801884582177701 (1.7405e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.801884576433165 (8.44551e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.801884566571959 (1.44978e-07% change) linmin: converged after 25 iterations. iteration 67: trace = 6.801884562689891 (5.70734e-08% change) linmin: converged after 3 iterations. iteration 68: trace = 6.801884555497646 (1.05739e-07% change) linmin: converged after 10 iterations. iteration 69: trace = 6.801884548994815 (9.56034e-08% change) resetting CG direction... linmin: converged after 12 iterations. iteration 70: trace = 6.801884547515387 (2.17503e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.801884545360386 (3.16824e-08% change) linmin: converged after 5 iterations. iteration 72: trace = 6.801884544064887 (1.90462e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.801884543138418 (1.36208e-08% change) linmin: converged after 6 iterations. iteration 74: trace = 6.801884541735411 (2.06267e-08% change) linmin: converged after 18 iterations. iteration 75: trace = 6.801884541326608 (6.01014e-09% change) large trace change predicted (1.77761e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540117523 (1.77757e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.801884539500458 (9.07197e-09% change) linmin: converged after 6 iterations. iteration 78: trace = 6.80188453908594 (6.09417e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.801884538426486 (9.69516e-09% change) linmin: converged after 10 iterations. iteration 80: trace = 6.801884538218956 (3.05107e-09% change) large trace change predicted (9.80955e-09%) linmin: converged after 21 iterations. iteration 81: trace = 6.801884537551715 (9.80965e-09% change) linmin: converged after 6 iterations. iteration 82: trace = 6.801884537139951 (6.05366e-09% change) linmin: converged after 26 iterations. iteration 83: trace = 6.801884536942101 (2.90876e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 6.801884536586122 (5.23353e-09% change) linmin: converged after 20 iterations. iteration 85: trace = 6.801884536357644 (3.35905e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536233658 (1.82282e-09% change) linmin: converged after 26 iterations. iteration 87: trace = 6.801884536108722 (1.83678e-09% change) linmin: converged after 16 iterations. iteration 88: trace = 6.801884536055081 (7.88614e-10% change) large trace change predicted (1.79266e-09%) linmin: converged after 6 iterations. iteration 89: trace = 6.801884535933144 (1.7927e-09% change) linmin: converged after 24 iterations. iteration 90: trace = 6.801884535899444 (4.95453e-10% change) large trace change predicted (1.23487e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.801884535815449 (1.23488e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.801884535773334 (6.19163e-10% change) linmin: converged after 15 iterations. iteration 93: trace = 6.801884535753365 (2.93592e-10% change) linmin: converged after 9 iterations. iteration 94: trace = 6.801884535731968 (3.14563e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.801884535713657 (2.69213e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.801884535706489 (1.05377e-10% change) large trace change predicted (2.25567e-10%) linmin: converged after 4 iterations. iteration 97: trace = 6.801884535691138 (2.25692e-10% change) linmin: converged after 15 iterations. iteration 98: trace = 6.801884535674619 (2.42863e-10% change) linmin: converged after 2 iterations. iteration 99: trace = 6.801884535667632 (1.02713e-10% change) large trace change predicted (2.20302e-10%) linmin: converged after 8 iterations. iteration 100: trace = 6.801884535652651 (2.20246e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.6153922080993652 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925881798292199 (0.0869816% change) linmin: converged after 3 iterations. iteration 2: trace = 6.9229225259514 (0.0427369% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648508630198 (0.032853% change) linmin: converged after 4 iterations. iteration 4: trace = 6.919688694130618 (0.0138698% change) linmin: converged after 4 iterations. iteration 5: trace = 6.9192786056375 (0.00592658% change) large trace change predicted (0.0145666%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274799994855 (0.0145084% change) linmin: converged after 4 iterations. iteration 7: trace = 6.91757301330911 (0.0101445% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717042170276 (0.00582001% change) linmin: converged after 3 iterations. iteration 9: trace = 6.916380858719524 (0.0114152% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938475163338 (0.00639638% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627887978417 (0.00449099% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595538192 (0.00824677% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570526779777 (0.00704384% change) linmin: converged after 3 iterations. iteration 14: trace = 6.91442336897636 (0.00212825% change) large trace change predicted (0.00433627%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122171751801 (0.00435617% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960746784396 (0.00233474% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682758315103 (0.00402076% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569624543927 (0.00163639% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334352257579 (0.00327046% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913263031312358 (0.0011643% change) linmin: converged after 15 iterations. iteration 21: trace = 6.913199861543292 (0.000913752% change) linmin: converged after 3 iterations. iteration 22: trace = 6.913142044518144 (0.000836331% change) linmin: converged after 6 iterations. iteration 23: trace = 6.913116163816769 (0.00037437% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090515482353 (0.00037101% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913046805634677 (0.000632279% change) linmin: converged after 3 iterations. iteration 26: trace = 6.913020774091535 (0.000376557% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001674697812 (0.000276282% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976749113279 (0.000360562% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912971244996962 (7.96201e-05% change) large trace change predicted (0.000181474%) linmin: converged after 3 iterations. iteration 30: trace = 6.912958702065374 (0.000181441% change) linmin: converged after 15 iterations. iteration 31: trace = 6.912946620631539 (0.000174765% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912941200300708 (7.84084e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933462689976 (0.000111929% change) linmin: converged after 12 iterations. iteration 34: trace = 6.912927788569319 (8.20798e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.912925543877318 (3.24709e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923366452396 (3.14979e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920253757397 (4.50272e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.91291918583872 (1.54482e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.91291752131117 (2.40785e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.91291631802408 (1.74064e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915796698972 (7.54132e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 6.912915208180214 (8.51332e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914546415715 (9.57287e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914250440259 (4.28149e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913754122829 (7.17957e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.912913166100848 (8.50614e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.912912879055559 (4.15231e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.912912672755615 (2.98427e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.91291252359359 (2.15773e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912437158742 (1.25034e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.912912301843973 (1.95742e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.912912141120616 (2.32497e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912094963387 (6.67696e-07% change) large trace change predicted (1.37508e-06%) linmin: converged after 4 iterations. iteration 54: trace = 6.912911999899769 (1.37516e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.912911938686116 (8.85497e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 6.912911893521379 (6.53339e-07% change) linmin: converged after 6 iterations. iteration 57: trace = 6.912911841729086 (7.49211e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 6.912911791218241 (7.30674e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.912911779594948 (1.68139e-07% change) large trace change predicted (3.68251e-07%) linmin: converged after 2 iterations. iteration 60: trace = 6.912911754138028 (3.68252e-07% change) linmin: converged after 16 iterations. iteration 61: trace = 6.91291173524443 (2.73309e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.912911721998706 (1.91608e-07% change) large trace change predicted (4.53468e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911690652783 (4.5344e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 6.912911672612801 (2.60961e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 6.912911664103595 (1.23092e-07% change) linmin: converged after 20 iterations. iteration 66: trace = 6.912911654714987 (1.35813e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.912911645869683 (1.27953e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.912911641485165 (6.34251e-08% change) large trace change predicted (1.86099e-07%) linmin: converged after 16 iterations. iteration 69: trace = 6.912911628620017 (1.86103e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.912911623609482 (7.24808e-08% change) linmin: converged after 16 iterations. iteration 71: trace = 6.912911619950242 (5.29334e-08% change) linmin: converged after 18 iterations. iteration 72: trace = 6.912911615014117 (7.14044e-08% change) linmin: converged after 3 iterations. iteration 73: trace = 6.912911609923537 (7.36387e-08% change) linmin: converged after 13 iterations. iteration 74: trace = 6.912911600448374 (1.37065e-07% change) large trace change predicted (7.005e-07%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911552014634 (7.00627e-07% change) large trace change predicted (3.26976e-06%) linmin: converged after 4 iterations. iteration 76: trace = 6.912911324882718 (3.28562e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 77: trace = 6.909407411940434 (0.0506994% change) linmin: converged after 14 iterations. iteration 78: trace = 6.909407303259766 (1.57294e-06% change) linmin: converged after 5 iterations. iteration 79: trace = 6.909407194879683 (1.56859e-06% change) linmin: converged after 6 iterations. iteration 80: trace = 6.909407086803446 (1.56419e-06% change) linmin: converged after 6 iterations. iteration 81: trace = 6.909406979027686 (1.55984e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.909406871560214 (1.55538e-06% change) linmin: converged after 6 iterations. iteration 83: trace = 6.909406764399476 (1.55094e-06% change) linmin: converged after 6 iterations. iteration 84: trace = 6.909406657546903 (1.54648e-06% change) linmin: converged after 6 iterations. iteration 85: trace = 6.909406551003777 (1.542e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.909406444771263 (1.53751e-06% change) linmin: converged after 6 iterations. iteration 87: trace = 6.909406338847629 (1.53304e-06% change) linmin: converged after 20 iterations. iteration 88: trace = 6.909406233236654 (1.52851e-06% change) linmin: converged after 14 iterations. iteration 89: trace = 6.909406127939251 (1.52397e-06% change) linmin: converged after 7 iterations. iteration 90: trace = 6.909406022958676 (1.51939e-06% change) linmin: converged after 15 iterations. iteration 91: trace = 6.909405918293174 (1.51483e-06% change) linmin: converged after 14 iterations. iteration 92: trace = 6.909405813941406 (1.51029e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909405709907355 (1.50569e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909405606189644 (1.50111e-06% change) linmin: converged after 19 iterations. iteration 95: trace = 6.909405502788598 (1.49653e-06% change) linmin: converged after 15 iterations. iteration 96: trace = 6.90940539970425 (1.49194e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.90940529693715 (1.48735e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 6.909405194487154 (1.48276e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 6.909405092353508 (1.47818e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.909404990537729 (1.47358e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 6.909404889038919 (1.46899e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.909404787856076 (1.46442e-06% change) linmin: converged after 11 iterations. iteration 103: trace = 6.909404686990555 (1.45983e-06% change) linmin: converged after 8 iterations. iteration 104: trace = 6.909404586441252 (1.45525e-06% change) linmin: converged after 8 iterations. iteration 105: trace = 6.909404486205638 (1.45071e-06% change) linmin: converged after 7 iterations. iteration 106: trace = 6.90940438628765 (1.44612e-06% change) linmin: converged after 8 iterations. iteration 107: trace = 6.909404286684655 (1.44156e-06% change) linmin: converged after 14 iterations. iteration 108: trace = 6.909404187394779 (1.43703e-06% change) linmin: converged after 8 iterations. iteration 109: trace = 6.909404088420219 (1.43246e-06% change) linmin: converged after 8 iterations. iteration 110: trace = 6.9094039897583 (1.42794e-06% change) linmin: converged after 8 iterations. iteration 111: trace = 6.909403891408473 (1.42342e-06% change) linmin: converged after 9 iterations. iteration 112: trace = 6.909403793371282 (1.4189e-06% change) linmin: converged after 7 iterations. iteration 113: trace = 6.909403695644156 (1.41441e-06% change) linmin: converged after 11 iterations. iteration 114: trace = 6.909403598229497 (1.40989e-06% change) linmin: converged after 15 iterations. iteration 115: trace = 6.909403501123285 (1.40542e-06% change) linmin: converged after 8 iterations. iteration 116: trace = 6.909403404325506 (1.40096e-06% change) linmin: converged after 6 iterations. iteration 117: trace = 6.909403307835841 (1.3965e-06% change) linmin: converged after 6 iterations. iteration 118: trace = 6.909403211655174 (1.39203e-06% change) linmin: converged after 5 iterations. iteration 119: trace = 6.909403115779074 (1.38762e-06% change) linmin: converged after 19 iterations. iteration 120: trace = 6.90940302021008 (1.38317e-06% change) linmin: converged after 15 iterations. iteration 121: trace = 6.909402924943801 (1.37879e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.90940282998096 (1.3744e-06% change) linmin: converged after 11 iterations. iteration 123: trace = 6.909402735322186 (1.37e-06% change) linmin: converged after 8 iterations. iteration 124: trace = 6.909402640963187 (1.36566e-06% change) linmin: converged after 19 iterations. iteration 125: trace = 6.909402546904536 (1.36131e-06% change) linmin: converged after 10 iterations. iteration 126: trace = 6.909402453145184 (1.35698e-06% change) linmin: converged after 7 iterations. iteration 127: trace = 6.909402359684876 (1.35265e-06% change) linmin: converged after 8 iterations. iteration 128: trace = 6.909402266520806 (1.34837e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.909402173653994 (1.34406e-06% change) linmin: converged after 15 iterations. iteration 130: trace = 6.909402081082199 (1.33979e-06% change) linmin: converged after 10 iterations. iteration 131: trace = 6.909401988802639 (1.33557e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.909401896816838 (1.33131e-06% change) linmin: converged after 10 iterations. iteration 133: trace = 6.909401805122543 (1.32709e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 6.909401713717047 (1.32291e-06% change) linmin: converged after 12 iterations. iteration 135: trace = 6.909401622601867 (1.31871e-06% change) linmin: converged after 7 iterations. iteration 136: trace = 6.909401531773128 (1.31457e-06% change) linmin: converged after 11 iterations. iteration 137: trace = 6.909401441232235 (1.3104e-06% change) linmin: converged after 18 iterations. iteration 138: trace = 6.909401350976032 (1.30628e-06% change) linmin: converged after 5 iterations. iteration 139: trace = 6.909401261003318 (1.30218e-06% change) resetting CG direction... large trace change predicted (0.111831%) linmin: converged after 4 iterations. iteration 140: trace = 6.901922701401765 (0.108296% change) linmin: converged after 4 iterations. iteration 141: trace = 6.889246761849792 (0.183827% change) linmin: converged after 4 iterations. iteration 142: trace = 6.879314220704985 (0.144279% change) linmin: converged after 4 iterations. iteration 143: trace = 6.871993578724105 (0.106472% change) linmin: converged after 4 iterations. iteration 144: trace = 6.85905677008803 (0.188431% change) linmin: converged after 4 iterations. iteration 145: trace = 6.846561881925398 (0.182332% change) linmin: converged after 4 iterations. iteration 146: trace = 6.837774882420545 (0.128424% change) large trace change predicted (0.261264%) linmin: converged after 5 iterations. iteration 147: trace = 6.82038659448041 (0.254621% change) linmin: converged after 4 iterations. iteration 148: trace = 6.811549309755332 (0.129656% change) linmin: converged after 4 iterations. iteration 149: trace = 6.803010641167304 (0.125434% change) linmin: converged after 3 iterations. iteration 150: trace = 6.795772549221677 (0.106452% change) linmin: converged after 4 iterations. iteration 151: trace = 6.786305906325278 (0.139399% change) linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. iteration 153: trace = 6.762501080820078 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. iteration 155: trace = 6.743925282478449 (0.136994% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736994478099859 (0.102824% change) linmin: converged after 4 iterations. iteration 157: trace = 6.732878238745256 (0.0611177% change) linmin: converged after 4 iterations. iteration 158: trace = 6.726657933453789 (0.0924297% change) linmin: converged after 4 iterations. iteration 159: trace = 6.721195120311204 (0.0812444% change) linmin: converged after 3 iterations. iteration 160: trace = 6.717648620160629 (0.0527798% change) linmin: converged after 9 iterations. iteration 161: trace = 6.713194200918354 (0.0663312% change) linmin: converged after 4 iterations. iteration 162: trace = 6.710505504937696 (0.0400589% change) linmin: converged after 3 iterations. iteration 163: trace = 6.706901369151968 (0.0537233% change) linmin: converged after 4 iterations. iteration 164: trace = 6.705010608085182 (0.0281953% change) linmin: converged after 3 iterations. iteration 165: trace = 6.70188765506045 (0.0465873% change) linmin: converged after 3 iterations. iteration 166: trace = 6.700031905898658 (0.0276938% change) linmin: converged after 3 iterations. iteration 167: trace = 6.697510888054483 (0.037634% change) linmin: converged after 4 iterations. iteration 168: trace = 6.695584232456802 (0.0287709% change) linmin: converged after 3 iterations. iteration 169: trace = 6.693804055526829 (0.0265909% change) linmin: converged after 3 iterations. iteration 170: trace = 6.692039962871821 (0.0263576% change) linmin: converged after 4 iterations. iteration 171: trace = 6.690949988840293 (0.0162889% change) linmin: converged after 3 iterations. iteration 172: trace = 6.689021225820898 (0.0288306% change) linmin: converged after 4 iterations. iteration 173: trace = 6.688226203752949 (0.0118862% change) linmin: converged after 3 iterations. iteration 174: trace = 6.687474380827883 (0.0112416% change) linmin: converged after 3 iterations. iteration 175: trace = 6.686715447178671 (0.0113492% change) linmin: converged after 3 iterations. iteration 176: trace = 6.68595816141414 (0.0113259% change) linmin: converged after 3 iterations. iteration 177: trace = 6.68527986567914 (0.0101456% change) linmin: converged after 3 iterations. iteration 178: trace = 6.684926169510021 (0.00529081% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. iteration 179: trace = 6.684160014452743 (0.0114616% change) linmin: converged after 3 iterations. iteration 180: trace = 6.68379530234466 (0.00545651% change) linmin: converged after 3 iterations. iteration 181: trace = 6.683426312215122 (0.00552082% change) linmin: converged after 3 iterations. iteration 182: trace = 6.683087980566226 (0.00506238% change) linmin: converged after 3 iterations. iteration 183: trace = 6.68276361175373 (0.00485369% change) linmin: converged after 3 iterations. iteration 184: trace = 6.682414515266442 (0.00522397% change) linmin: converged after 3 iterations. iteration 185: trace = 6.682218187694787 (0.00293802% change) linmin: converged after 3 iterations. iteration 186: trace = 6.681916581224351 (0.00451367% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681779641167005 (0.00204943% change) linmin: converged after 5 iterations. iteration 188: trace = 6.681606953872663 (0.00258448% change) linmin: converged after 4 iterations. iteration 189: trace = 6.681488504563664 (0.00177278% change) linmin: converged after 3 iterations. iteration 190: trace = 6.681358272366602 (0.00194917% change) linmin: converged after 10 iterations. iteration 191: trace = 6.681230235500497 (0.00191635% change) linmin: converged after 5 iterations. iteration 192: trace = 6.6811288270835 (0.00151782% change) linmin: converged after 4 iterations. iteration 193: trace = 6.680953874347516 (0.00261864% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680873367074792 (0.00120503% change) linmin: converged after 5 iterations. iteration 195: trace = 6.680765390544085 (0.00161622% change) linmin: converged after 9 iterations. iteration 196: trace = 6.680693385129812 (0.00107781% change) linmin: converged after 6 iterations. iteration 197: trace = 6.68062105366074 (0.0010827% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680572671849443 (0.000724214% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680536490133266 (0.000541597% change) linmin: converged after 3 iterations. iteration 200: trace = 6.680481376728336 (0.000824988% change) linmin: converged after 5 iterations. iteration 201: trace = 6.680455500315117 (0.000387344% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680415642440067 (0.000596636% change) linmin: converged after 3 iterations. iteration 203: trace = 6.680384072694054 (0.000472573% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680340624959269 (0.00065038% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680309707236553 (0.000462818% change) linmin: converged after 4 iterations. iteration 206: trace = 6.680284460794091 (0.000377924% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680246429982121 (0.000569301% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680230558103617 (0.000237594% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680212665706824 (0.000267841% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.680199266929479 (0.000200574% change) linmin: converged after 3 iterations. iteration 211: trace = 6.680176329495439 (0.000343365% change) linmin: converged after 3 iterations. iteration 212: trace = 6.680157132337356 (0.000287375% change) linmin: converged after 6 iterations. iteration 213: trace = 6.680148386202022 (0.000130927% change) large trace change predicted (0.000268503%) linmin: converged after 3 iterations. iteration 214: trace = 6.680130453713534 (0.000268445% change) linmin: converged after 3 iterations. iteration 215: trace = 6.680117119837281 (0.000199605% change) linmin: converged after 4 iterations. iteration 216: trace = 6.680111655384402 (8.18018e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.68010507011362 (9.85803e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 6.680099229256731 (8.74366e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680096911351662 (3.46987e-05% change) linmin: converged after 5 iterations. iteration 220: trace = 6.680092842384724 (6.09118e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 6.680089179833528 (5.48279e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680087434377293 (2.61292e-05% change) large trace change predicted (5.58738e-05%) linmin: converged after 3 iterations. iteration 223: trace = 6.680083701568315 (5.58797e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680080072969977 (5.43197e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680078801637671 (1.90317e-05% change) linmin: converged after 7 iterations. iteration 226: trace = 6.680076350837193 (3.66882e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 6.680074690109035 (2.48609e-05% change) linmin: converged after 8 iterations. iteration 228: trace = 6.680073351070969 (2.00453e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 6.68007285452746 (7.4332e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 6.680072090994439 (1.143e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680071248584382 (1.26108e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680070960238667 (4.31651e-06% change) large trace change predicted (1.18534e-05%) linmin: converged after 5 iterations. iteration 233: trace = 6.680070168326894 (1.18548e-05% change) linmin: converged after 19 iterations. iteration 234: trace = 6.68006965411633 (7.69768e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 6.680069400433313 (3.79761e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 6.680069104629979 (4.42815e-06% change) linmin: converged after 4 iterations. iteration 237: trace = 6.680068901432917 (3.04184e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 6.680068816419869 (1.27264e-06% change) linmin: converged after 6 iterations. iteration 239: trace = 6.680068659755051 (2.34526e-06% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068550683506 (1.63279e-06% change) linmin: converged after 14 iterations. iteration 241: trace = 6.680068504970169 (6.84324e-07% change) linmin: converged after 6 iterations. iteration 242: trace = 6.680068425446491 (1.19046e-06% change) linmin: converged after 7 iterations. iteration 243: trace = 6.680068372313352 (7.95398e-07% change) linmin: converged after 4 iterations. iteration 244: trace = 6.680068349511027 (3.41349e-07% change) linmin: converged after 3 iterations. iteration 245: trace = 6.680068316252574 (4.97876e-07% change) linmin: converged after 7 iterations. iteration 246: trace = 6.680068281840759 (5.15142e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.680068263861698 (2.69145e-07% change) linmin: converged after 5 iterations. iteration 248: trace = 6.680068250316288 (2.02774e-07% change) linmin: converged after 7 iterations. iteration 249: trace = 6.680068235011274 (2.29115e-07% change) linmin: converged after 5 iterations. iteration 250: trace = 6.68006821953699 (2.31649e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068209700503 (1.47251e-07% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068201055386 (1.29417e-07% change) linmin: converged after 4 iterations. iteration 253: trace = 6.680068196815148 (6.3476e-08% change) linmin: converged after 4 iterations. iteration 254: trace = 6.68006819428233 (3.7916e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068189733394 (6.80972e-08% change) linmin: converged after 7 iterations. iteration 256: trace = 6.680068185326181 (6.59756e-08% change) linmin: converged after 6 iterations. iteration 257: trace = 6.680068184115238 (1.81277e-08% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068182525833 (2.37932e-08% change) linmin: converged after 7 iterations. iteration 259: trace = 6.680068181099807 (2.13475e-08% change) linmin: converged after 4 iterations. iteration 260: trace = 6.680068180538626 (8.40083e-09% change) linmin: converged after 4 iterations. iteration 261: trace = 6.680068179768131 (1.15342e-08% change) linmin: converged after 4 iterations. iteration 262: trace = 6.680068179150874 (9.24029e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.68006817875833 (5.87634e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068178534971 (3.34367e-09% change) linmin: converged after 22 iterations. iteration 265: trace = 6.680068178135892 (5.97418e-09% change) linmin: converged after 4 iterations. iteration 266: trace = 6.680068178021659 (1.71006e-09% change) large trace change predicted (3.85974e-09%) linmin: converged after 4 iterations. iteration 267: trace = 6.680068177763815 (3.85991e-09% change) linmin: converged after 5 iterations. iteration 268: trace = 6.680068177602221 (2.41904e-09% change) linmin: converged after 9 iterations. iteration 269: trace = 6.680068177493695 (1.62463e-09% change) linmin: converged after 7 iterations. iteration 270: trace = 6.680068177432303 (9.19029e-10% change) linmin: converged after 15 iterations. iteration 271: trace = 6.680068177338072 (1.41063e-09% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177272095 (9.87663e-10% change) linmin: converged after 4 iterations. iteration 273: trace = 6.680068177245388 (3.99796e-10% change) linmin: converged after 15 iterations. iteration 274: trace = 6.680068177203003 (6.34509e-10% change) linmin: converged after 15 iterations. iteration 275: trace = 6.680068177157596 (6.79742e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177145132 (1.86582e-10% change) large trace change predicted (3.75195e-10%) linmin: converged after 4 iterations. iteration 277: trace = 6.680068177120065 (3.75252e-10% change) linmin: converged after 6 iterations. iteration 278: trace = 6.680068177107303 (1.91036e-10% change) linmin: converged after 9 iterations. iteration 279: trace = 6.680068177097761 (1.42852e-10% change) resetting CG direction... linmin: converged after 9 iterations. iteration 280: trace = 6.680068177092473 (7.91641e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 2.7406210899353027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587455311328 (0.0686633% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159760210607 (0.0665581% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179164838401 (0.0297871% change) linmin: converged after 4 iterations. iteration 4: trace = 6.64753416259331 (0.00970241% change) linmin: converged after 3 iterations. iteration 5: trace = 6.6469666136075 (0.0085381% change) linmin: converged after 4 iterations. iteration 6: trace = 6.645994018177636 (0.0146332% change) linmin: converged after 3 iterations. iteration 7: trace = 6.64530472666308 (0.0103721% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933052356651 (0.00559319% change) linmin: converged after 3 iterations. iteration 9: trace = 6.644423335856935 (0.00767105% change) linmin: converged after 3 iterations. iteration 10: trace = 6.64420115647265 (0.0033439% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990275840968 (0.00317396% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843510252407 (0.00220902% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564751930795 (0.00419583% change) linmin: converged after 4 iterations. iteration 14: trace = 6.64327911203505 (0.00429959% change) linmin: converged after 3 iterations. iteration 15: trace = 6.64307162272011 (0.00312335% change) linmin: converged after 4 iterations. iteration 16: trace = 6.642974799946697 (0.00145751% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909147828732 (0.000988299% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890167027224 (0.000285731% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868866277831 (0.000320655% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841255990717 (0.000415639% change) linmin: converged after 4 iterations. iteration 21: trace = 6.642822870559128 (0.000276771% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805065880108 (0.000268029% change) linmin: converged after 3 iterations. iteration 23: trace = 6.64279144083442 (0.00020511% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785631391333 (8.74549e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.642782971983666 (4.00345e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780010618989 (4.45802e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.64277821577196 (2.70195e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777033771829 (1.77938e-05% change) large trace change predicted (3.72453e-05%) linmin: converged after 4 iterations. iteration 29: trace = 6.642774560640914 (3.72304e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773633138377 (1.39626e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772722826313 (1.37038e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.642771828262404 (1.34667e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.64277087576031 (1.43389e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.642770553794994 (4.84685e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.642770128430119 (6.40343e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.642769885778785 (3.65286e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.642769776764544 (1.6411e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.642769636191611 (2.11618e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.642769529879722 (1.60042e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 6.64276948230084 (7.16251e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417347594 (9.77804e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718568 (5.51412e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.642769352276503 (4.28166e-07% change) linmin: converged after 8 iterations. iteration 44: trace = 6.642769335009672 (2.59934e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308412368 (4.00395e-07% change) linmin: converged after 10 iterations. iteration 46: trace = 6.642769295594344 (1.92962e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 6.642769286031895 (1.43953e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.642769278113336 (1.19206e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.642769268636345 (1.42666e-07% change) linmin: converged after 6 iterations. iteration 50: trace = 6.642769264678964 (5.95743e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258347661 (9.53112e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.642769254860999 (5.24881e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253450789 (2.12293e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332606 (3.1887e-08% change) linmin: converged after 8 iterations. iteration 55: trace = 6.642769250050419 (1.9302e-08% change) linmin: converged after 7 iterations. iteration 56: trace = 6.6427692492726 (1.17093e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248105801 (1.7565e-08% change) linmin: converged after 32 iterations. iteration 58: trace = 6.642769246923345 (1.78006e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246437547 (7.31319e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.642769246055699 (5.74833e-09% change) linmin: converged after 19 iterations. iteration 61: trace = 6.642769245798688 (3.86904e-09% change) linmin: converged after 26 iterations. iteration 62: trace = 6.642769245596893 (3.03781e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.642769245361455 (3.54427e-09% change) linmin: converged after 5 iterations. iteration 64: trace = 6.642769245059515 (4.54539e-09% change) linmin: converged after 24 iterations. iteration 65: trace = 6.64276924497741 (1.23601e-09% change) linmin: converged after 14 iterations. iteration 66: trace = 6.642769244866003 (1.67713e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.642769244785121 (1.21759e-09% change) linmin: converged after 8 iterations. iteration 68: trace = 6.642769244740458 (6.72354e-10% change) linmin: converged after 14 iterations. iteration 69: trace = 6.642769244697033 (6.53716e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.64276924467363 (3.52302e-10% change) linmin: converged after 15 iterations. iteration 71: trace = 6.642769244658356 (2.29934e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.64276924463728 (3.17284e-10% change) linmin: converged after 11 iterations. iteration 73: trace = 6.642769244619855 (2.62318e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 6.64276924460999 (1.48507e-10% change) linmin: converged after 9 iterations. iteration 75: trace = 6.642769244598637 (1.70903e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.64276924458175 (2.54215e-10% change) linmin: converged after 3 iterations. iteration 77: trace = 6.642769244576464 (7.95685e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.5663411617279053 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429231511185 (0.117813% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682646875626627 (0.0715382% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627759254707 (0.0451887% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424623045876 (0.077926% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593818216934 (0.0574118% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532380670411 (0.0159135% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698883194505 (0.0124979% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450150690025 (0.018727% change) linmin: converged after 4 iterations. iteration 9: trace = 6.66685421691059 (0.00893836% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666561020957688 (0.00439791% change) large trace change predicted (0.0103226%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873832486198 (0.0103085% change) linmin: converged after 3 iterations. iteration 12: trace = 6.66534367843415 (0.00795357% change) linmin: converged after 5 iterations. iteration 13: trace = 6.664960567151565 (0.00574798% change) linmin: converged after 4 iterations. iteration 14: trace = 6.66447182671495 (0.00733325% change) linmin: converged after 4 iterations. iteration 15: trace = 6.66434339982356 (0.00192706% change) linmin: converged after 3 iterations. iteration 16: trace = 6.66423537972366 (0.00162088% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099941917526 (0.00203233% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928212821615 (0.00257696% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861709370718 (0.000997967% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812777113738 (0.000734295% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735503528859 (0.00115961% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674701397493 (0.000912437% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634535229166 (0.000602765% change) linmin: converged after 6 iterations. iteration 24: trace = 6.663593038411381 (0.000622737% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573597485097 (0.000291749% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564028806269 (0.000143597% change) linmin: converged after 3 iterations. iteration 27: trace = 6.663549047974307 (0.000224817% change) linmin: converged after 4 iterations. iteration 28: trace = 6.663543234598157 (8.72415e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539629620816 (5.41e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020747423 (5.41585e-05% change) large trace change predicted (0.000126928%) linmin: converged after 4 iterations. iteration 31: trace = 6.663527560554203 (0.000126963% change) linmin: converged after 12 iterations. iteration 32: trace = 6.663522796841909 (7.14894e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519837331688 (4.44136e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.663516772751093 (4.59904e-05% change) linmin: converged after 17 iterations. iteration 35: trace = 6.663513849617122 (4.38677e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.663512817242067 (1.5493e-05% change) large trace change predicted (3.44646e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520469217 (3.44679e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473661299 (1.57096e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.663509059368947 (6.21733e-06% change) large trace change predicted (1.53076e-05%) linmin: converged after 3 iterations. iteration 40: trace = 6.663508039277591 (1.53086e-05% change) linmin: converged after 8 iterations. iteration 41: trace = 6.663507363532601 (1.0141e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506896337038 (7.01126e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 6.663506558669988 (5.06741e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 6.663506414338931 (2.16599e-06% change) linmin: converged after 10 iterations. iteration 45: trace = 6.663506331335545 (1.24564e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506214951667 (1.74659e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039919197 (2.62673e-06% change) linmin: converged after 6 iterations. iteration 48: trace = 6.663505983939295 (8.40097e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.663505907522652 (1.14679e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.663505851032006 (8.47762e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 6.663505805256612 (6.86957e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790501416 (2.21433e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766531589 (3.59718e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.663505741478836 (3.7597e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 6.663505723652033 (2.67529e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.663505707379739 (2.442e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.663505697265364 (1.51788e-07% change) linmin: converged after 10 iterations. iteration 58: trace = 6.663505694684291 (3.87345e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691927321 (4.13742e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.663505688934743 (4.491e-08% change) linmin: converged after 18 iterations. iteration 61: trace = 6.663505686200639 (4.1031e-08% change) linmin: converged after 5 iterations. iteration 62: trace = 6.663505684949753 (1.87722e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683327255 (2.4349e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 6.663505682009577 (1.97745e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681307788 (1.05318e-08% change) linmin: converged after 34 iterations. iteration 66: trace = 6.663505680001043 (1.96105e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.663505679184849 (1.22487e-08% change) linmin: converged after 12 iterations. iteration 68: trace = 6.663505678748463 (6.5489e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 6.663505678470028 (4.17851e-09% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.663505678326044 (2.16079e-09% change) linmin: converged after 5 iterations. iteration 71: trace = 6.663505678226778 (1.4897e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 6.663505678093959 (1.99322e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 6.663505677966054 (1.9195e-09% change) linmin: converged after 9 iterations. iteration 74: trace = 6.663505677909059 (8.55322e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.663505677805617 (1.55237e-09% change) linmin: converged after 5 iterations. iteration 76: trace = 6.66350567774159 (9.60861e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677713072 (4.27967e-10% change) linmin: converged after 15 iterations. iteration 78: trace = 6.663505677677868 (5.28308e-10% change) linmin: converged after 3 iterations. iteration 79: trace = 6.66350567764272 (5.27482e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622083 (3.09699e-10% change) linmin: converged after 11 iterations. iteration 81: trace = 6.663505677595312 (4.01749e-10% change) linmin: converged after 5 iterations. iteration 82: trace = 6.663505677568759 (3.98484e-10% change) linmin: converged after 3 iterations. iteration 83: trace = 6.663505677548605 (3.02462e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 6.663505677537475 (1.67026e-10% change) linmin: converged after 9 iterations. iteration 85: trace = 6.663505677527899 (1.437e-10% change) linmin: converged after 2 iterations. iteration 86: trace = 6.663505677520185 (1.15776e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 6.66350567751532 (7.30029e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.8330905437469482 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447319829122 (0.144043% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737973961372528 (0.0960266% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141747682221 (0.0865949% change) linmin: converged after 8 iterations. iteration 4: trace = 6.724828796500679 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434241355379 (0.0504907% change) linmin: converged after 4 iterations. iteration 6: trace = 6.718962205415226 (0.0367852% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543134764343 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463675707937 (0.0160705% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767540648555 (0.0103651% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605751548929 (0.0173009% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521985435469 (0.0161417% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581835313906 (0.0140048% change) linmin: converged after 3 iterations. iteration 13: trace = 6.71158981476003 (0.0147796% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907669864163 (0.0101642% change) linmin: converged after 3 iterations. iteration 15: trace = 6.710743952111041 (0.00243961% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647231451 (0.00478803% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149736269088 (0.00406705% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926499244011 (0.00332691% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615222871843 (0.00463915% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090117643 (0.00345976% change) linmin: converged after 4 iterations. iteration 21: trace = 6.709272387074732 (0.00164999% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433556145 (0.00160903% change) linmin: converged after 3 iterations. iteration 23: trace = 6.709082283752179 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040657449078 (0.000620449% change) linmin: converged after 4 iterations. iteration 25: trace = 6.709012986499432 (0.000412444% change) linmin: converged after 4 iterations. iteration 26: trace = 6.708973601301382 (0.000587051% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949150379244 (0.000364452% change) linmin: converged after 3 iterations. iteration 28: trace = 6.708939654510758 (0.00014154% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851624748 (0.000265361% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911468699708 (0.000154763% change) linmin: converged after 5 iterations. iteration 31: trace = 6.708903821442493 (0.000113987% change) linmin: converged after 5 iterations. iteration 32: trace = 6.708893718400836 (0.000150592% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883944464088 (0.000145686% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879439481632 (6.71495e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.708871489178604 (0.000118504% change) linmin: converged after 3 iterations. iteration 36: trace = 6.708866031173699 (8.13551e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 6.708863196868343 (4.22472e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860828992465 (3.52947e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.708858447883698 (3.5492e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.708856997940599 (2.16124e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902056196 (3.12406e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.708852610091869 (3.41633e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.708851929347837 (1.0147e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237630113 (1.03105e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.708850275593168 (1.43398e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.70884964610264 (9.38299e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882323291 (1.13847e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.70884831288727 (8.48784e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847878958689 (6.468e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.708847658426824 (3.28718e-06% change) large trace change predicted (7.00903e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188184538 (7.00929e-06% change) linmin: converged after 23 iterations. iteration 52: trace = 6.708846832162545 (5.30675e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.708846619270131 (3.17331e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387818853 (3.44994e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 6.70884617767422 (3.13235e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.708846099858042 (1.1599e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988806679 (1.6553e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.708845926155432 (9.3386e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.708845871821884 (8.09879e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.708845822810831 (7.30544e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.708845760357077 (9.30917e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.70884574300153 (2.58696e-07% change) linmin: converged after 8 iterations. iteration 63: trace = 6.708845724909551 (2.69673e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.708845702105521 (3.3991e-07% change) linmin: converged after 2 iterations. iteration 65: trace = 6.708845680309581 (3.24884e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 6.708845664242869 (2.39485e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650776952 (2.00719e-07% change) linmin: converged after 8 iterations. iteration 68: trace = 6.708845645402574 (8.01088e-08% change) linmin: converged after 15 iterations. iteration 69: trace = 6.708845642039176 (5.01338e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.708845640022382 (3.00617e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.708845637673427 (3.50128e-08% change) linmin: converged after 15 iterations. iteration 72: trace = 6.708845634534958 (4.67811e-08% change) linmin: converged after 12 iterations. iteration 73: trace = 6.708845632986939 (2.30743e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.708845630875617 (3.14707e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.708845629670367 (1.79651e-08% change) linmin: converged after 24 iterations. iteration 76: trace = 6.70884562875462 (1.36498e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 6.708845628229008 (7.83462e-09% change) large trace change predicted (2.48639e-08%) linmin: converged after 25 iterations. iteration 78: trace = 6.708845626560922 (2.4864e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 6.70884562540218 (1.72719e-08% change) linmin: converged after 28 iterations. iteration 80: trace = 6.70884562479466 (9.05551e-09% change) linmin: converged after 15 iterations. iteration 81: trace = 6.708845624335286 (6.84729e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623793696 (8.07277e-09% change) linmin: converged after 21 iterations. iteration 83: trace = 6.708845623387073 (6.061e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.708845623152627 (3.49458e-09% change) linmin: converged after 7 iterations. iteration 85: trace = 6.708845622824246 (4.89474e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.708845622519809 (4.53784e-09% change) linmin: converged after 10 iterations. iteration 87: trace = 6.708845622381896 (2.0557e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195793 (2.77399e-09% change) linmin: converged after 4 iterations. iteration 89: trace = 6.708845622083587 (1.6725e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 6.708845622026749 (8.47224e-10% change) linmin: converged after 16 iterations. iteration 91: trace = 6.708845621976815 (7.44292e-10% change) linmin: converged after 24 iterations. iteration 92: trace = 6.708845621907823 (1.02837e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621869335 (5.73695e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 6.708845621841251 (4.18615e-10% change) linmin: converged after 13 iterations. iteration 95: trace = 6.708845621811554 (4.42656e-10% change) linmin: converged after 10 iterations. iteration 96: trace = 6.70884562176952 (6.26545e-10% change) linmin: converged after 7 iterations. iteration 97: trace = 6.708845621746257 (3.4674e-10% change) linmin: converged after 6 iterations. iteration 98: trace = 6.708845621736258 (1.49044e-10% change) linmin: converged after 5 iterations. iteration 99: trace = 6.70884562172633 (1.47985e-10% change) linmin: converged after 2 iterations. iteration 100: trace = 6.708845621714904 (1.70319e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.708845621705082 (1.46396e-10% change) linmin: converged after 3 iterations. iteration 102: trace = 6.708845621699862 (7.78183e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 1.2387242317199707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698633809191 (0.215819% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922874907878 (0.173586% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206258588999 (0.128686% change) linmin: converged after 4 iterations. iteration 4: trace = 6.763253549953755 (0.0879767% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899925054087 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681354754137 (0.0328201% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086651621764 (0.0235977% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832192148723 (0.0185668% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118495779664 (0.0253694% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749081335605 (0.0350872% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302803233563 (0.0362383% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516481140149 (0.0116511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249224640233 (0.0187801% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632665094483 (0.00913836% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834465752674 (0.0118318% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082856496751 (0.0111424% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977418818899 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390383242796 (0.00870497% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072678219028 (0.00471147% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715957574696 (0.00529032% change) linmin: converged after 3 iterations. iteration 21: trace = 6.742464020086605 (0.00373651% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330320976678 (0.00198296% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122762408378 (0.00307849% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003826540353 (0.00176409% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741880968654315 (0.00182229% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788400424308 (0.00137304% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624608298757 (0.00242954% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503274116909 (0.00179979% change) linmin: converged after 4 iterations. iteration 29: trace = 6.741388490429167 (0.00170266% change) linmin: converged after 8 iterations. iteration 30: trace = 6.741262264020804 (0.00187243% change) linmin: converged after 4 iterations. iteration 31: trace = 6.741141894022464 (0.00178559% change) linmin: converged after 3 iterations. iteration 32: trace = 6.74109194778558 (0.000740919% change) large trace change predicted (0.0015712%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986068071619 (0.00157067% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890539238255 (0.00141714% change) linmin: converged after 3 iterations. iteration 35: trace = 6.740821369640258 (0.00102612% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737626221328 (0.00124234% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661828861594 (0.00112447% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629875483647 (0.00047404% change) linmin: converged after 4 iterations. iteration 39: trace = 6.740602082832254 (0.000412316% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570556701472 (0.000467706% change) linmin: converged after 15 iterations. iteration 41: trace = 6.740536128832213 (0.000510757% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511930212224 (0.000359002% change) linmin: converged after 4 iterations. iteration 43: trace = 6.740477774203758 (0.000506729% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464323510009 (0.000199551% change) linmin: converged after 3 iterations. iteration 45: trace = 6.740454927660496 (0.000139395% change) linmin: converged after 3 iterations. iteration 46: trace = 6.740442913058701 (0.000178246% change) linmin: converged after 3 iterations. iteration 47: trace = 6.740433220383139 (0.000143799% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427240072998 (8.8723e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422387262584 (7.19956e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416731226987 (8.39122e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414148071736 (3.83234e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411996847174 (3.19153e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269508348 (4.04625e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 6.740406805416326 (3.6557e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527769054 (1.8955e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.740404267303223 (1.87002e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728427431 (7.99471e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.74040343819223 (4.3059e-06% change) linmin: converged after 16 iterations. iteration 59: trace = 6.740402943820226 (7.33446e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141855679 (1.18979e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401774602421 (5.44854e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.740401383698577 (5.79941e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.74040121333598 (2.52748e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 6.740401083437249 (1.92717e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960825165 (1.81906e-06% change) linmin: converged after 3 iterations. iteration 66: trace = 6.740400775720624 (2.74619e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708166186 (1.00223e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 6.740400660070001 (7.13551e-07% change) linmin: converged after 31 iterations. iteration 69: trace = 6.74040062254798 (5.56673e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.74040060312624 (2.88139e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.740400587239849 (2.35689e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.740400563945599 (3.45591e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 6.74040053383998 (4.46644e-07% change) linmin: converged after 7 iterations. iteration 74: trace = 6.740400521568885 (1.82053e-07% change) linmin: converged after 3 iterations. iteration 75: trace = 6.740400502328089 (2.85455e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 6.740400485759526 (2.4581e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 6.740400468356567 (2.58189e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451031929 (2.57027e-07% change) linmin: converged after 5 iterations. iteration 79: trace = 6.740400430663574 (3.02183e-07% change) linmin: converged after 3 iterations. iteration 80: trace = 6.740400419609705 (1.63994e-07% change) linmin: converged after 6 iterations. iteration 81: trace = 6.740400411511883 (1.20139e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400771231 (1.59347e-07% change) linmin: converged after 16 iterations. iteration 83: trace = 6.740400386869953 (2.06238e-07% change) linmin: converged after 7 iterations. iteration 84: trace = 6.740400376231782 (1.57827e-07% change) linmin: converged after 7 iterations. iteration 85: trace = 6.740400359188088 (2.52859e-07% change) linmin: converged after 23 iterations. iteration 86: trace = 6.740400345751037 (1.99351e-07% change) linmin: converged after 7 iterations. iteration 87: trace = 6.740400338469485 (1.08028e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 6.740400333644134 (7.15885e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326303966 (1.08898e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316356354 (1.47582e-07% change) linmin: converged after 3 iterations. iteration 91: trace = 6.740400308733944 (1.13085e-07% change) linmin: converged after 5 iterations. iteration 92: trace = 6.740400300065566 (1.28603e-07% change) linmin: converged after 7 iterations. iteration 93: trace = 6.740400294142513 (8.78739e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 6.740400290938995 (4.75271e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.740400289529077 (2.09174e-08% change) large trace change predicted (5.3242e-08%) linmin: converged after 2 iterations. iteration 96: trace = 6.740400285940314 (5.32426e-08% change) linmin: converged after 12 iterations. iteration 97: trace = 6.740400283468649 (3.66694e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281379826 (3.09896e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.740400280637219 (1.10173e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.7404002796497 (1.46508e-08% change) linmin: converged after 16 iterations. iteration 101: trace = 6.740400278730779 (1.3633e-08% change) linmin: converged after 29 iterations. iteration 102: trace = 6.740400277986254 (1.10457e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.740400277260739 (1.07637e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.740400276416281 (1.25283e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.740400275748705 (9.9041e-09% change) linmin: converged after 13 iterations. iteration 106: trace = 6.740400275455274 (4.35332e-09% change) linmin: converged after 5 iterations. iteration 107: trace = 6.740400275281644 (2.57596e-09% change) linmin: converged after 22 iterations. iteration 108: trace = 6.740400275011923 (4.00156e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.740400274878135 (1.98487e-09% change) linmin: converged after 21 iterations. iteration 110: trace = 6.740400274750899 (1.88766e-09% change) linmin: converged after 20 iterations. iteration 111: trace = 6.740400274636951 (1.69052e-09% change) linmin: converged after 11 iterations. iteration 112: trace = 6.74040027454282 (1.39652e-09% change) linmin: converged after 6 iterations. iteration 113: trace = 6.740400274513787 (4.30728e-10% change) linmin: converged after 13 iterations. iteration 114: trace = 6.740400274462895 (7.55025e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274397404 (9.71628e-10% change) linmin: converged after 19 iterations. iteration 116: trace = 6.74040027435167 (6.78507e-10% change) linmin: converged after 12 iterations. iteration 117: trace = 6.740400274329971 (3.21913e-10% change) linmin: converged after 12 iterations. iteration 118: trace = 6.740400274300264 (4.40742e-10% change) linmin: converged after 9 iterations. iteration 119: trace = 6.74040027427553 (3.66951e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274262241 (1.97153e-10% change) linmin: converged after 12 iterations. iteration 121: trace = 6.740400274248134 (2.09289e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.74040027423582 (1.82685e-10% change) linmin: converged after 4 iterations. iteration 123: trace = 6.740400274230122 (8.45301e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 1.6618518829345703 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868894561756 (0.213566% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022097859532 (0.174681% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929070049329 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085858919716 (0.0420065% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298899184147 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340703504475 (0.0289489% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043703128134 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627094571365 (0.0357548% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119979398712 (0.0519121% change) linmin: converged after 4 iterations. iteration 10: trace = 6.75163525675401 (0.036795% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275913842616 (0.0349509% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748514035543023 (0.0112889% change) large trace change predicted (0.0342028%) linmin: converged after 3 iterations. iteration 13: trace = 6.746182802192854 (0.0345504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744301253387214 (0.0278945% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003628869275 (0.0340734% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281272288031 (0.0255499% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215834939365 (0.0158083% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862256984321 (0.00524671% change) linmin: converged after 3 iterations. iteration 19: trace = 6.73833234994108 (0.00786376% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625971738113 (0.0104835% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211474384879 (0.00615217% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596697591564 (0.00912551% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116014632835 (0.00713565% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569710627169 (0.0081104% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736430284 (0.00384495% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879759572813 (0.00639897% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393376777808 (0.00722211% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901809133098 (0.00729963% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209907494645 (0.0102754% change) linmin: converged after 5 iterations. iteration 30: trace = 6.73234965260204 (0.0127771% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921757479517 (0.00635601% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146114838392 (0.0068424% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024257593041 (0.00649049% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758281390215 (0.00395157% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487896341662 (0.00401724% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155611095073 (0.00493714% change) linmin: converged after 3 iterations. iteration 37: trace = 6.72972126355817 (0.00645396% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527916186817 (0.00287308% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325307392039 (0.00301079% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238816203681 (0.0012853% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183779395769 (0.000817879% change) linmin: converged after 6 iterations. iteration 42: trace = 6.729120115637182 (0.000946089% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017040020709 (0.0015318% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962305932486 (0.000813407% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906725084051 (0.000825998% change) linmin: converged after 3 iterations. iteration 46: trace = 6.728867495942988 (0.000582996% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848429906664 (0.000283347% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839595428558 (0.000131293% change) linmin: converged after 5 iterations. iteration 49: trace = 6.728828036383319 (0.000171784% change) linmin: converged after 3 iterations. iteration 50: trace = 6.728815696153597 (0.000183394% change) linmin: converged after 6 iterations. iteration 51: trace = 6.72880830562058 (0.000109834% change) linmin: converged after 4 iterations. iteration 52: trace = 6.728797313435932 (0.00016336% change) linmin: converged after 5 iterations. iteration 53: trace = 6.728790322962288 (0.000103889% change) linmin: converged after 3 iterations. iteration 54: trace = 6.728785442530073 (7.25306e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.728781934730987 (5.21313e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421027439 (6.70806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774464387391 (4.39402e-05% change) linmin: converged after 9 iterations. iteration 58: trace = 6.728770671402769 (5.63696e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766383700355 (6.37219e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759702599734 (9.92917e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756008018565 (5.49073e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.72875132999046 (6.9523e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 6.728747963531919 (5.0031e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746082036418 (2.7962e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743717519837 (3.51405e-05% change) linmin: converged after 4 iterations. iteration 66: trace = 6.728741219038851 (3.71315e-05% change) linmin: converged after 8 iterations. iteration 67: trace = 6.728737885736026 (4.95383e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364539105 (3.74691e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.728731337984738 (5.98412e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.72873034437392 (1.47667e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.72872960776986 (1.09471e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728722987234 (1.31493e-05% change) linmin: converged after 3 iterations. iteration 73: trace = 6.728727748014585 (1.44897e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727116998245 (9.37794e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.728726357738136 (1.12839e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 6.728725546067456 (1.20628e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 6.728725087750155 (6.81135e-06% change) linmin: converged after 2 iterations. iteration 78: trace = 6.728724366364244 (1.0721e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 6.72872358722023 (1.15794e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 6.728722669521229 (1.36385e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087341527 (8.65216e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.728721146582687 (1.39812e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 6.728720479314836 (9.91671e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.728720020913256 (6.81261e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.728719586507617 (6.45599e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719151518812 (6.46466e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.72871833949697 (1.2068e-05% change) linmin: converged after 6 iterations. iteration 88: trace = 6.728717407324229 (1.38536e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 6.728717032618706 (5.56875e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 6.728716493470611 (8.01264e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 6.728716172922691 (4.76388e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 6.728715871856371 (4.47435e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 6.72871560707104 (3.93515e-06% change) large trace change predicted (1.12177e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852116745 (1.12199e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.728714141926561 (1.05546e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 6.728713790469254 (5.22325e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.728713564086949 (3.36442e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 6.728713374544717 (2.81692e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.72871315826111 (3.21434e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 6.728713034157771 (1.84438e-06% change) large trace change predicted (4.57983e-06%) linmin: converged after 9 iterations. iteration 101: trace = 6.728712725995033 (4.57982e-06% change) linmin: converged after 2 iterations. iteration 102: trace = 6.728712544574786 (2.69621e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.728712456539248 (1.30836e-06% change) linmin: converged after 19 iterations. iteration 104: trace = 6.728712395320428 (9.09815e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 6.728712336808206 (8.6959e-07% change) linmin: converged after 5 iterations. iteration 106: trace = 6.728712234630183 (1.51854e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.728712175439821 (8.79669e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079397628 (1.42735e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.728712038543444 (6.07162e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 6.728712017201673 (3.17175e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 6.728711999264673 (2.66574e-07% change) linmin: converged after 5 iterations. iteration 112: trace = 6.728711988069817 (1.66374e-07% change) large trace change predicted (5.38226e-07%) linmin: converged after 5 iterations. iteration 113: trace = 6.728711951855484 (5.38206e-07% change) linmin: converged after 4 iterations. iteration 114: trace = 6.728711933632973 (2.70817e-07% change) linmin: converged after 4 iterations. iteration 115: trace = 6.728711913488169 (2.99386e-07% change) linmin: converged after 7 iterations. iteration 116: trace = 6.72871190080688 (1.88465e-07% change) linmin: converged after 7 iterations. iteration 117: trace = 6.728711891984315 (1.31118e-07% change) linmin: converged after 3 iterations. iteration 118: trace = 6.728711886212583 (8.57777e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.728711875102345 (1.65117e-07% change) linmin: converged after 19 iterations. iteration 120: trace = 6.72871186065501 (2.14712e-07% change) linmin: converged after 8 iterations. iteration 121: trace = 6.728711851906814 (1.30013e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711845976211 (8.81388e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840102187 (8.72979e-08% change) linmin: converged after 3 iterations. iteration 124: trace = 6.728711834480055 (8.35544e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.728711831284315 (4.74941e-08% change) large trace change predicted (1.17261e-07%) linmin: converged after 3 iterations. iteration 126: trace = 6.728711823394237 (1.1726e-07% change) linmin: converged after 3 iterations. iteration 127: trace = 6.728711817715899 (8.43897e-08% change) linmin: converged after 3 iterations. iteration 128: trace = 6.728711814545341 (4.71198e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812179677 (3.51578e-08% change) large trace change predicted (8.43572e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806503583 (8.43563e-08% change) large trace change predicted (2.30065e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791024086 (2.30051e-07% change) linmin: converged after 13 iterations. iteration 132: trace = 6.728711774592464 (2.44202e-07% change) linmin: converged after 6 iterations. iteration 133: trace = 6.728711761313651 (1.97346e-07% change) linmin: converged after 15 iterations. iteration 134: trace = 6.728711750477235 (1.61047e-07% change) large trace change predicted (4.61682e-07%) linmin: converged after 4 iterations. iteration 135: trace = 6.728711719412686 (4.61672e-07% change) large trace change predicted (9.46138e-07%) linmin: converged after 3 iterations. iteration 136: trace = 6.728711655745908 (9.46196e-07% change) large trace change predicted (2.05255e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.72871151760072 (2.05307e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728455612532036 (0.00380325% change) linmin: converged after 5 iterations. iteration 139: trace = 6.72845477912518 (1.23863e-05% change) resetting CG direction... large trace change predicted (0.0189297%) linmin: converged after 5 iterations. iteration 140: trace = 6.727182327111736 (0.0189133% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726299471168846 (0.0131246% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725635969876103 (0.00986477% change) linmin: converged after 5 iterations. iteration 143: trace = 6.724685377187572 (0.0141349% change) linmin: converged after 5 iterations. iteration 144: trace = 6.724133330083055 (0.0082096% change) large trace change predicted (0.0171562%) linmin: converged after 3 iterations. iteration 145: trace = 6.722973794892795 (0.0172459% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721485621133838 (0.0221381% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720346345352626 (0.0169512% change) linmin: converged after 4 iterations. iteration 148: trace = 6.719989858993058 (0.00530472% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719510680923915 (0.00713089% change) linmin: converged after 3 iterations. iteration 150: trace = 6.718980140174779 (0.00789584% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718449806680475 (0.00789338% change) linmin: converged after 4 iterations. iteration 152: trace = 6.71772606218937 (0.0107731% change) linmin: converged after 5 iterations. iteration 153: trace = 6.717054313408507 (0.0100001% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716295237212367 (0.0113014% change) linmin: converged after 3 iterations. iteration 155: trace = 6.715943111232894 (0.005243% change) large trace change predicted (0.0125295%) linmin: converged after 4 iterations. iteration 156: trace = 6.715108776941975 (0.012424% change) linmin: converged after 4 iterations. iteration 157: trace = 6.71423638836867 (0.0129923% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713503133059845 (0.0109215% change) large trace change predicted (0.0266079%) linmin: converged after 4 iterations. iteration 159: trace = 6.711719331567473 (0.0265739% change) linmin: converged after 7 iterations. iteration 160: trace = 6.709706481994446 (0.0299946% change) linmin: converged after 4 iterations. iteration 161: trace = 6.70766899384598 (0.0303709% change) linmin: converged after 4 iterations. iteration 162: trace = 6.706395647362942 (0.0189852% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704098646677664 (0.0342568% change) linmin: converged after 4 iterations. iteration 164: trace = 6.702528235233215 (0.0234274% change) large trace change predicted (0.0528153%) linmin: converged after 5 iterations. iteration 165: trace = 6.699094220494626 (0.0512477% change) linmin: converged after 5 iterations. iteration 166: trace = 6.69528242497002 (0.0569164% change) linmin: converged after 6 iterations. iteration 167: trace = 6.691348642452727 (0.0587718% change) linmin: converged after 6 iterations. iteration 168: trace = 6.687719621241007 (0.0542492% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685739983493502 (0.0296055% change) linmin: converged after 3 iterations. iteration 170: trace = 6.684455635028102 (0.0192121% change) linmin: converged after 3 iterations. iteration 171: trace = 6.682974133859655 (0.0221658% change) linmin: converged after 3 iterations. iteration 172: trace = 6.681940912528768 (0.0154617% change) linmin: converged after 5 iterations. iteration 173: trace = 6.681084770560249 (0.0128136% change) linmin: converged after 4 iterations. iteration 174: trace = 6.67970035422904 (0.0207236% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678201073651787 (0.0224478% change) linmin: converged after 4 iterations. iteration 176: trace = 6.676815853159746 (0.0207446% change) linmin: converged after 4 iterations. iteration 177: trace = 6.674980260576841 (0.0274958% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673011495981964 (0.029499% change) linmin: converged after 4 iterations. iteration 179: trace = 6.671101800743234 (0.0286223% change) linmin: converged after 4 iterations. iteration 180: trace = 6.669499722953774 (0.0240181% change) linmin: converged after 4 iterations. iteration 181: trace = 6.668410911847893 (0.0163266% change) linmin: converged after 4 iterations. iteration 182: trace = 6.667342381864346 (0.016025% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666216424602033 (0.0168891% change) linmin: converged after 4 iterations. iteration 184: trace = 6.665554827706494 (0.00992512% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665106293874628 (0.00672936% change) linmin: converged after 4 iterations. iteration 186: trace = 6.664528835344536 (0.00866428% change) linmin: converged after 4 iterations. iteration 187: trace = 6.663957288068281 (0.00857633% change) linmin: converged after 3 iterations. iteration 188: trace = 6.663542183959137 (0.00622929% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663082759104757 (0.00689484% change) linmin: converged after 4 iterations. iteration 190: trace = 6.662460864341498 (0.00933387% change) linmin: converged after 4 iterations. iteration 191: trace = 6.661699427146337 (0.0114294% change) linmin: converged after 4 iterations. iteration 192: trace = 6.660790647771726 (0.0136428% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660009515564351 (0.011728% change) linmin: converged after 3 iterations. iteration 194: trace = 6.659479416569215 (0.00795975% change) linmin: converged after 3 iterations. iteration 195: trace = 6.658939745613951 (0.00810413% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658371335571489 (0.00853641% change) linmin: converged after 3 iterations. iteration 197: trace = 6.658028192771436 (0.00515369% change) linmin: converged after 3 iterations. iteration 198: trace = 6.65780389832038 (0.00336884% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657527938522096 (0.00414499% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657210110490546 (0.00477408% change) linmin: converged after 3 iterations. iteration 201: trace = 6.656939773203598 (0.0040609% change) linmin: converged after 3 iterations. iteration 202: trace = 6.65663275280087 (0.00461214% change) linmin: converged after 4 iterations. iteration 203: trace = 6.656220181129199 (0.0061981% change) linmin: converged after 3 iterations. iteration 204: trace = 6.655787210539536 (0.00650496% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655354811029838 (0.00649681% change) linmin: converged after 3 iterations. iteration 206: trace = 6.654965899747946 (0.00584376% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654688657768218 (0.00416603% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654418905049741 (0.00405366% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654089275950134 (0.00495366% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 6.65353050680927 (0.00839773% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652818155630912 (0.0107069% change) linmin: converged after 4 iterations. iteration 212: trace = 6.651859015156793 (0.0144181% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651104171634607 (0.0113485% change) linmin: converged after 4 iterations. iteration 214: trace = 6.650627750983518 (0.00716329% change) large trace change predicted (0.0177726%) linmin: converged after 3 iterations. iteration 215: trace = 6.649437249189945 (0.0179022% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648413225964701 (0.0154013% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647960793560716 (0.00680535% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647543225011817 (0.00628135% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647045240060661 (0.00749154% change) linmin: converged after 9 iterations. iteration 220: trace = 6.646132649523531 (0.0137302% change) linmin: converged after 3 iterations. iteration 221: trace = 6.645487984623257 (0.00970032% change) linmin: converged after 4 iterations. iteration 222: trace = 6.644378773638831 (0.0166926% change) linmin: converged after 6 iterations. iteration 223: trace = 6.643944767391035 (0.00653214% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643664019338058 (0.00422571% change) linmin: converged after 3 iterations. iteration 225: trace = 6.64332820593677 (0.00505477% change) large trace change predicted (0.0103065%) linmin: converged after 4 iterations. iteration 226: trace = 6.642643324643781 (0.0103098% change) linmin: converged after 4 iterations. iteration 227: trace = 6.642051208593299 (0.00891426% change) linmin: converged after 4 iterations. iteration 228: trace = 6.64157854661328 (0.00711646% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641038717103832 (0.00812836% change) linmin: converged after 4 iterations. iteration 230: trace = 6.640707914272707 (0.00498132% change) linmin: converged after 3 iterations. iteration 231: trace = 6.640453786039423 (0.0038269% change) linmin: converged after 5 iterations. iteration 232: trace = 6.64016316627796 (0.0043766% change) linmin: converged after 4 iterations. iteration 233: trace = 6.639743713274357 (0.00631711% change) linmin: converged after 5 iterations. iteration 234: trace = 6.639544583635618 (0.0029991% change) linmin: converged after 4 iterations. iteration 235: trace = 6.639282699782756 (0.00394438% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639199970545302 (0.00124606% change) linmin: converged after 3 iterations. iteration 237: trace = 6.639142258329993 (0.000869268% change) linmin: converged after 3 iterations. iteration 238: trace = 6.639077815760677 (0.000970651% change) linmin: converged after 3 iterations. iteration 239: trace = 6.63900571480012 (0.00108601% change) linmin: converged after 3 iterations. iteration 240: trace = 6.638961920800485 (0.000659649% change) linmin: converged after 4 iterations. iteration 241: trace = 6.638889265379303 (0.00109439% change) linmin: converged after 9 iterations. iteration 242: trace = 6.638839156673328 (0.000754778% change) linmin: converged after 6 iterations. iteration 243: trace = 6.638817271016363 (0.000329661% change) linmin: converged after 4 iterations. iteration 244: trace = 6.638804458011224 (0.000193002% change) linmin: converged after 7 iterations. iteration 245: trace = 6.63879256208756 (0.000179188% change) linmin: converged after 5 iterations. iteration 246: trace = 6.638785642117927 (0.000104235% change) linmin: converged after 4 iterations. iteration 247: trace = 6.638774357143365 (0.000169986% change) linmin: converged after 4 iterations. iteration 248: trace = 6.638762419902748 (0.000179811% change) linmin: converged after 3 iterations. iteration 249: trace = 6.638756892922508 (8.32532e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 6.638752819643989 (6.13561e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 6.63874927416594 (5.34058e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638747235213456 (3.07129e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.63874557978159 (2.49359e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 6.638743011193025 (3.86909e-05% change) linmin: converged after 6 iterations. iteration 255: trace = 6.638741044421006 (2.96257e-05% change) linmin: converged after 6 iterations. iteration 256: trace = 6.638739280427623 (2.65712e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738498218535 (1.17825e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 6.638737828200221 (1.00926e-05% change) linmin: converged after 4 iterations. iteration 259: trace = 6.638737464213616 (5.48277e-06% change) large trace change predicted (1.11011e-05%) linmin: converged after 3 iterations. iteration 260: trace = 6.638736727271766 (1.11006e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 6.638736181512872 (8.22082e-06% change) linmin: converged after 4 iterations. iteration 262: trace = 6.638735682437151 (7.51763e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 6.638735297469644 (5.79881e-06% change) linmin: converged after 4 iterations. iteration 264: trace = 6.638735062412199 (3.5407e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 6.638734959978824 (1.54297e-06% change) linmin: converged after 11 iterations. iteration 266: trace = 6.638734784019256 (2.6505e-06% change) linmin: converged after 6 iterations. iteration 267: trace = 6.638734592568151 (2.88385e-06% change) linmin: converged after 13 iterations. iteration 268: trace = 6.638734439874332 (2.30004e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 6.638734297757939 (2.14072e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 6.638734209238205 (1.33338e-06% change) linmin: converged after 22 iterations. iteration 271: trace = 6.638734172736284 (5.49833e-07% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734126806183 (6.9185e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734049139085 (1.16991e-06% change) linmin: converged after 6 iterations. iteration 274: trace = 6.638733996458739 (7.9353e-07% change) linmin: converged after 17 iterations. iteration 275: trace = 6.638733928256021 (1.02735e-06% change) linmin: converged after 8 iterations. iteration 276: trace = 6.638733864854569 (9.55023e-07% change) linmin: converged after 5 iterations. iteration 277: trace = 6.638733827572725 (5.61581e-07% change) linmin: converged after 11 iterations. iteration 278: trace = 6.638733802915664 (3.71412e-07% change) linmin: converged after 7 iterations. iteration 279: trace = 6.638733768579168 (5.17215e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 6.638733756338033 (1.8439e-07% change) linmin: converged after 3 iterations. iteration 281: trace = 6.638733742254126 (2.12147e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 6.638733724900183 (2.61404e-07% change) linmin: converged after 8 iterations. iteration 283: trace = 6.638733705213524 (2.96542e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733691658619 (2.04179e-07% change) linmin: converged after 5 iterations. iteration 285: trace = 6.638733669490968 (3.33914e-07% change) linmin: converged after 7 iterations. iteration 286: trace = 6.638733650986479 (2.78735e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642951382 (1.21034e-07% change) linmin: converged after 18 iterations. iteration 288: trace = 6.638733629612545 (2.00924e-07% change) linmin: converged after 10 iterations. iteration 289: trace = 6.638733611583582 (2.71572e-07% change) linmin: converged after 10 iterations. iteration 290: trace = 6.638733588865441 (3.42206e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733574592166 (2.15e-07% change) linmin: converged after 21 iterations. iteration 292: trace = 6.63873355337761 (3.19557e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733545016619 (1.25943e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 6.638733539502492 (8.30599e-08% change) linmin: converged after 4 iterations. iteration 295: trace = 6.638733533293647 (9.35245e-08% change) linmin: converged after 9 iterations. iteration 296: trace = 6.6387335213748 (1.79535e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 6.638733507025406 (2.16147e-07% change) linmin: converged after 5 iterations. iteration 298: trace = 6.638733498379596 (1.30233e-07% change) linmin: converged after 5 iterations. iteration 299: trace = 6.638733494484282 (5.86756e-08% change) linmin: converged after 13 iterations. iteration 300: trace = 6.638733490927248 (5.358e-08% change) linmin: converged after 7 iterations. iteration 301: trace = 6.638733485200473 (8.62631e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733476865669 (1.25548e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733473190711 (5.53563e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733468883077 (6.48864e-08% change) linmin: converged after 7 iterations. iteration 305: trace = 6.638733466908565 (2.97423e-08% change) linmin: converged after 4 iterations. iteration 306: trace = 6.638733465375948 (2.3086e-08% change) linmin: converged after 14 iterations. iteration 307: trace = 6.638733464134324 (1.87027e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733462306688 (2.75299e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733460482195 (2.74826e-08% change) linmin: converged after 4 iterations. iteration 310: trace = 6.63873345961143 (1.31164e-08% change) linmin: converged after 4 iterations. iteration 311: trace = 6.638733458642567 (1.45941e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733458134778 (7.64888e-09% change) linmin: converged after 5 iterations. iteration 313: trace = 6.638733457645783 (7.3658e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457352856 (4.41239e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345684477 (7.65336e-09% change) linmin: converged after 5 iterations. iteration 316: trace = 6.638733456403953 (6.64008e-09% change) linmin: converged after 4 iterations. iteration 317: trace = 6.638733456152282 (3.79094e-09% change) linmin: converged after 4 iterations. iteration 318: trace = 6.638733456030275 (1.83781e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455903995 (1.90217e-09% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455817198 (1.30742e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.638733455756419 (9.1552e-10% change) linmin: converged after 3 iterations. iteration 322: trace = 6.638733455702256 (8.15875e-10% change) linmin: converged after 5 iterations. iteration 323: trace = 6.638733455632201 (1.05525e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455567437 (9.75537e-10% change) linmin: converged after 2 iterations. iteration 325: trace = 6.638733455543287 (3.63781e-10% change) linmin: converged after 3 iterations. iteration 326: trace = 6.638733455532377 (1.64331e-10% change) linmin: converged after 3 iterations. iteration 327: trace = 6.638733455516046 (2.45995e-10% change) linmin: converged after 4 iterations. iteration 328: trace = 6.638733455504073 (1.80359e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455493956 (1.52397e-10% change) linmin: converged after 6 iterations. iteration 330: trace = 6.638733455486666 (1.09799e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.63873345548043 (9.39321e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 4.580918312072754 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.626057620494977 (0.100232% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613126482808 (0.0519976% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673744694375 (0.0292885% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597684089716 (0.0162544% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315086898861 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219271073397 (0.0165587% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295852367035 (0.0290711% change) linmin: converged after 4 iterations. iteration 8: trace = 6.61417947460509 (0.0168771% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750790278417 (0.0064815% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492231709061 (0.00390949% change) linmin: converged after 5 iterations. iteration 11: trace = 6.613099991406017 (0.00593109% change) linmin: converged after 4 iterations. iteration 12: trace = 6.612508174275854 (0.00894956% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911605435617 (0.00902223% change) linmin: converged after 3 iterations. iteration 14: trace = 6.611621978609148 (0.00438048% change) linmin: converged after 3 iterations. iteration 15: trace = 6.61152879661069 (0.00140938% change) linmin: converged after 4 iterations. iteration 16: trace = 6.611478379278624 (0.00076257% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426400397185 (0.000786195% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356798514873 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368975563 (0.000717398% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277607452 (0.00110556% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239700009 (0.000787116% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390617158 (0.000406117% change) linmin: converged after 6 iterations. iteration 23: trace = 6.611149761229047 (0.000115402% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418246711 (0.0001867% change) linmin: converged after 4 iterations. iteration 25: trace = 6.611117109676448 (0.000307188% change) linmin: converged after 8 iterations. iteration 26: trace = 6.611106887867352 (0.000154616% change) linmin: converged after 7 iterations. iteration 27: trace = 6.611093350475041 (0.000204768% change) linmin: converged after 5 iterations. iteration 28: trace = 6.611088832485065 (6.83396e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.61108683176395 (3.02631e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.611085128924971 (2.57573e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.611082646646197 (3.75472e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563818122 (6.17573e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155557211 (2.13015e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809316514 (2.03634e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 6.611075193967333 (9.30785e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.611074698880083 (7.48876e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 6.611074407551921 (4.40667e-06% change) large trace change predicted (9.33295e-06%) linmin: converged after 9 iterations. iteration 38: trace = 6.611073790582134 (9.33237e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203369893 (8.88225e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.611073052540952 (2.28146e-06% change) linmin: converged after 15 iterations. iteration 41: trace = 6.611072941977674 (1.6724e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072861004637 (1.22481e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 6.61107280858274 (7.92941e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776030954 (4.92383e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.611072738168386 (5.72714e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 6.611072698875848 (5.94344e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.611072683717714 (2.29284e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.611072672237301 (1.73654e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758709 (1.43374e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.61107265697399 (8.75005e-08% change) linmin: converged after 8 iterations. iteration 51: trace = 6.611072652142187 (7.30865e-08% change) linmin: converged after 5 iterations. iteration 52: trace = 6.611072646470036 (8.57977e-08% change) linmin: converged after 19 iterations. iteration 53: trace = 6.611072641171591 (8.0145e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640189413 (1.48566e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 6.611072639602241 (8.88163e-09% change) linmin: converged after 21 iterations. iteration 56: trace = 6.61107263921562 (5.84809e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 6.611072638759226 (6.90348e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 6.611072638472151 (4.34234e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 6.611072638036753 (6.58588e-09% change) linmin: converged after 21 iterations. iteration 60: trace = 6.611072637784839 (3.81049e-09% change) linmin: converged after 16 iterations. iteration 61: trace = 6.611072637653132 (1.99222e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.611072637585758 (1.01912e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 6.611072637534616 (7.73571e-10% change) linmin: converged after 7 iterations. iteration 64: trace = 6.611072637495112 (5.97549e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473879 (3.2117e-10% change) large trace change predicted (1.05703e-09%) linmin: converged after 9 iterations. iteration 66: trace = 6.611072637403993 (1.05711e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.61107263737826 (3.89244e-10% change) linmin: converged after 3 iterations. iteration 68: trace = 6.611072637366694 (1.74947e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361763 (7.45761e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 2.046769142150879 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548450697246 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465328255 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588152273 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417678721 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.68057897415484 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730984548 (0.0423443% change) linmin: converged after 4 iterations. iteration 7: trace = 6.674361515607246 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248951057 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.67035707388253 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273270586 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878122467 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347483382 (0.00728184% change) large trace change predicted (0.0240835%) linmin: converged after 3 iterations. iteration 13: trace = 6.665843395804814 (0.0240444% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522489406 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786977709 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117103061 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208990162 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367728647 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138462022 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 5 iterations. iteration 20: trace = 6.662160849212027 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.661974209878505 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520808619 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.6614997208688 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436797187 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968897884 (0.00105786% change) linmin: converged after 5 iterations. iteration 26: trace = 6.661273357518132 (0.000864867% change) linmin: converged after 3 iterations. iteration 27: trace = 6.661214838069622 (0.000878506% change) linmin: converged after 4 iterations. iteration 28: trace = 6.66115775937144 (0.000856885% change) linmin: converged after 16 iterations. iteration 29: trace = 6.661112661277841 (0.000677033% change) linmin: converged after 12 iterations. iteration 30: trace = 6.661070300455188 (0.000635944% change) linmin: converged after 7 iterations. iteration 31: trace = 6.661058308095186 (0.000180037% change) linmin: converged after 4 iterations. iteration 32: trace = 6.661042292616671 (0.000240435% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283422302 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012970038681 (0.000229895% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272851032 (0.00019062% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66098105771455 (0.000288473% change) linmin: converged after 3 iterations. iteration 37: trace = 6.66097484643405 (9.32488e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.660970536549605 (6.47035e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.660965329903084 (7.81665e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.660960399217141 (7.40236e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.660955690712223 (7.06881e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410715819 (6.4255e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058611444 (5.03247e-05% change) linmin: converged after 10 iterations. iteration 44: trace = 6.660947085965647 (1.46022e-05% change) large trace change predicted (2.98585e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097035932 (2.98596e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821792785 (1.91451e-05% change) linmin: converged after 8 iterations. iteration 47: trace = 6.660942440537547 (2.07366e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 6.660941469358377 (1.45802e-05% change) linmin: converged after 9 iterations. iteration 49: trace = 6.660940204105689 (1.89951e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 6.660939460761348 (1.11598e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.660938948019672 (7.69774e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.660938435137035 (7.69986e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003150241 (6.48537e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.660937690918812 (4.6875e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.660937258478576 (6.49218e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.660937080983507 (2.66472e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 6.660937039758156 (6.18912e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.660936992662055 (7.07049e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.660936943515173 (7.37837e-07% change) linmin: converged after 14 iterations. iteration 60: trace = 6.660936890551621 (7.95137e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 6.660936833463546 (8.57058e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 6.660936777956312 (8.33325e-07% change) linmin: converged after 3 iterations. iteration 63: trace = 6.660936765950669 (1.8024e-07% change) linmin: converged after 13 iterations. iteration 64: trace = 6.660936755016479 (1.64154e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.660936746504889 (1.27784e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740712755 (8.69567e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 6.660936737170026 (5.31866e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929397 (9.369e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.660936726677886 (6.38275e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.660936725044449 (2.45226e-08% change) linmin: converged after 3 iterations. iteration 71: trace = 6.660936723760125 (1.92814e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.660936722383197 (2.06717e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.660936721386933 (1.49568e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720553681 (1.25095e-08% change) linmin: converged after 6 iterations. iteration 75: trace = 6.660936719204672 (2.02525e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718306758 (1.34803e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.660936717517901 (1.1843e-08% change) linmin: converged after 16 iterations. iteration 78: trace = 6.660936716875986 (9.63701e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.66093671638297 (7.40159e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716200434 (2.74039e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 6.660936715851852 (5.23324e-09% change) linmin: converged after 25 iterations. iteration 82: trace = 6.660936715504896 (5.20882e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305283 (2.99677e-09% change) linmin: converged after 25 iterations. iteration 84: trace = 6.660936715088249 (3.2583e-09% change) linmin: converged after 6 iterations. iteration 85: trace = 6.660936714937209 (2.26755e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.66093671483393 (1.55052e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.660936714752606 (1.22091e-09% change) linmin: converged after 8 iterations. iteration 88: trace = 6.660936714698563 (8.11342e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617685 (1.21422e-09% change) linmin: converged after 17 iterations. iteration 90: trace = 6.660936714577195 (6.07863e-10% change) linmin: converged after 9 iterations. iteration 91: trace = 6.660936714542663 (5.18431e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 6.66093671452318 (2.92498e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 6.660936714512308 (1.6321e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 6.660936714494092 (2.73483e-10% change) linmin: converged after 18 iterations. iteration 95: trace = 6.660936714476113 (2.6991e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714460309 (2.37268e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.660936714455183 (7.69513e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 1.1243326663970947 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693017208109 (0.25821% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914961701834 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.8034925962326 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487274288505 (0.073597% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361675562998 (0.0754217% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739195795245 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.78264878663999 (0.0455531% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936770194704 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502069710002 (0.124558% change) linmin: converged after 5 iterations. iteration 10: trace = 6.76322651774559 (0.0631977% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059628579385 (0.0912242% change) linmin: converged after 4 iterations. iteration 12: trace = 6.751376335993757 (0.0841443% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749200931166567 (0.0322268% change) large trace change predicted (0.098765%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591263983803 (0.0979806% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640382826808 (0.0289379% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712684722542 (0.043443% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520751506272 (0.0473854% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582910248322 (0.0287789% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242224459929 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109255756887 (0.0168379% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644075252516 (0.0217794% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872536807032 (0.0114705% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359728800651 (0.0076247% change) linmin: converged after 3 iterations. iteration 24: trace = 6.724756248311063 (0.00897361% change) linmin: converged after 4 iterations. iteration 25: trace = 6.7242313053107 (0.00780643% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530381332598 (0.0104244% change) linmin: converged after 4 iterations. iteration 27: trace = 6.72305353579579 (0.00709244% change) linmin: converged after 4 iterations. iteration 28: trace = 6.72265881863575 (0.00587127% change) linmin: converged after 4 iterations. iteration 29: trace = 6.722318016870271 (0.00506958% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110934360552 (0.00308057% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805719628224 (0.00454056% change) linmin: converged after 3 iterations. iteration 32: trace = 6.72165454038865 (0.00224911% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517297783834 (0.00204182% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358425118166 (0.00236367% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272058063197 (0.00128497% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179699166091 (0.00137414% change) linmin: converged after 4 iterations. iteration 37: trace = 6.721123295807936 (0.000839192% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064007742236 (0.000882119% change) linmin: converged after 3 iterations. iteration 39: trace = 6.72097092087002 (0.00138501% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931115538289 (0.000592257% change) large trace change predicted (0.00161289%) linmin: converged after 5 iterations. iteration 41: trace = 6.720822625073012 (0.00161423% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798455955431 (0.000359616% change) large trace change predicted (0.000726896%) linmin: converged after 4 iterations. iteration 43: trace = 6.720749733766366 (0.000724949% change) linmin: converged after 3 iterations. iteration 44: trace = 6.720722597039881 (0.000403776% change) linmin: converged after 5 iterations. iteration 45: trace = 6.720705195143765 (0.000258929% change) large trace change predicted (0.000642163%) linmin: converged after 5 iterations. iteration 46: trace = 6.720662126792548 (0.000640833% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647154498598 (0.00022278% change) linmin: converged after 4 iterations. iteration 48: trace = 6.72062043302607 (0.000397603% change) linmin: converged after 5 iterations. iteration 49: trace = 6.720599309599986 (0.000314308% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588137365055 (0.000166239% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572436621251 (0.000233622% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560499397283 (0.000177622% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778242804 (0.000144648% change) linmin: converged after 3 iterations. iteration 54: trace = 6.720542013016708 (0.000130424% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071646672 (5.86466e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533814739468 (6.33418e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531115770584 (4.016e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587060401 (5.25064e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.720523741211025 (5.72254e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.720520451968262 (4.89433e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.720515635354287 (7.16703e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 6.720513695468099 (2.88651e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.72051133960888 (3.50548e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233359968 (1.64608e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 6.720509525519543 (1.05325e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403248748 (1.66992e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 6.720507795395156 (9.04476e-06% change) large trace change predicted (2.55085e-05%) linmin: converged after 3 iterations. iteration 68: trace = 6.720506081141613 (2.55078e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.720505165966127 (1.36177e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.720504632302556 (7.94083e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757844022 (1.30118e-05% change) linmin: converged after 15 iterations. iteration 72: trace = 6.720503154978902 (8.97054e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.720502824854046 (4.9122e-06% change) linmin: converged after 8 iterations. iteration 74: trace = 6.720502267064615 (8.29982e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.720501617680343 (9.66273e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72050132574036 (4.34402e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.720500923027681 (5.9923e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.720500448330174 (7.06342e-06% change) linmin: converged after 4 iterations. iteration 79: trace = 6.720500087213447 (5.37336e-06% change) linmin: converged after 4 iterations. iteration 80: trace = 6.720499710684663 (5.60269e-06% change) linmin: converged after 22 iterations. iteration 81: trace = 6.720499408614479 (4.49476e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351256553 (8.53477e-07% change) linmin: converged after 2 iterations. iteration 83: trace = 6.720499245527904 (1.57323e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132630193 (1.6799e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.720498945756275 (2.78066e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.720498852637848 (1.38559e-06% change) linmin: converged after 7 iterations. iteration 87: trace = 6.720498761806799 (1.35155e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498673535045 (1.31347e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 6.72049865351342 (2.97919e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625572545 (4.15756e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.720498602030521 (3.50302e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.720498577123617 (3.70611e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.720498560431867 (2.48371e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.720498532209185 (4.19949e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.720498515844808 (2.43499e-07% change) linmin: converged after 7 iterations. iteration 96: trace = 6.720498508767199 (1.05314e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499078233 (1.4417e-07% change) linmin: converged after 5 iterations. iteration 98: trace = 6.720498492456153 (9.85355e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.720498490231268 (3.3106e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.720498486341691 (5.78763e-08% change) linmin: converged after 19 iterations. iteration 101: trace = 6.720498482648972 (5.49471e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.720498480432039 (3.29876e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478111522 (3.45289e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474203783 (5.81466e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.720498473240487 (1.43337e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 6.720498471875248 (2.03145e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498470954793 (1.36962e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.72049847030411 (9.68207e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469396117 (1.35108e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.720498468528084 (1.29162e-08% change) linmin: converged after 22 iterations. iteration 111: trace = 6.720498468211312 (4.71351e-09% change) linmin: converged after 3 iterations. iteration 112: trace = 6.720498467648213 (8.37884e-09% change) linmin: converged after 21 iterations. iteration 113: trace = 6.720498466969858 (1.00938e-08% change) linmin: converged after 7 iterations. iteration 114: trace = 6.720498466674119 (4.40054e-09% change) linmin: converged after 14 iterations. iteration 115: trace = 6.720498466438764 (3.50204e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 6.720498466248166 (2.83607e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 6.720498466097222 (2.24603e-09% change) linmin: converged after 8 iterations. iteration 118: trace = 6.720498466030781 (9.88633e-10% change) large trace change predicted (2.34768e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873002 (2.34772e-09% change) linmin: converged after 5 iterations. iteration 120: trace = 6.720498465792095 (1.20389e-09% change) linmin: converged after 21 iterations. iteration 121: trace = 6.720498465746592 (6.77067e-10% change) linmin: converged after 15 iterations. iteration 122: trace = 6.720498465698609 (7.13992e-10% change) linmin: converged after 15 iterations. iteration 123: trace = 6.720498465621247 (1.15112e-09% change) linmin: converged after 3 iterations. iteration 124: trace = 6.720498465595291 (3.86223e-10% change) linmin: converged after 15 iterations. iteration 125: trace = 6.720498465572993 (3.318e-10% change) linmin: converged after 6 iterations. iteration 126: trace = 6.720498465558284 (2.18856e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.72049846555446 (5.69079e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 1.7867562770843506 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955562928744 (0.370676% change) linmin: converged after 8 iterations. iteration 2: trace = 6.786471668016924 (0.286688% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412334616126 (0.296016% change) linmin: converged after 8 iterations. iteration 4: trace = 6.762821517377909 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550630673623 (0.166799% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349024355771 (0.0918968% change) linmin: converged after 4 iterations. iteration 7: trace = 6.74135156175338 (0.0592801% change) linmin: converged after 3 iterations. iteration 8: trace = 6.73781499530485 (0.0524746% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500225957172 (0.0195152% change) large trace change predicted (0.0500712%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113221246308 (0.050291% change) linmin: converged after 4 iterations. iteration 11: trace = 6.731523269016685 (0.0236167% change) linmin: converged after 3 iterations. iteration 12: trace = 6.72917215108513 (0.0349331% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626313331539 (0.03784% change) linmin: converged after 4 iterations. iteration 14: trace = 6.72526694814056 (0.0202108% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631929555883 (0.0391886% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297250368137 (0.0198555% change) linmin: converged after 3 iterations. iteration 17: trace = 6.718798670863051 (0.037181% change) linmin: converged after 3 iterations. iteration 18: trace = 6.717806138049131 (0.0147736% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974622663739 (0.0123785% change) linmin: converged after 3 iterations. iteration 20: trace = 6.716373022360233 (0.00895682% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154278487252 (0.00325693% change) large trace change predicted (0.0101657%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471624728676 (0.0101649% change) linmin: converged after 4 iterations. iteration 23: trace = 6.715183454624158 (0.00429123% change) large trace change predicted (0.0113966%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417832318219 (0.011402% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023750193567 (0.00586936% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806563698491 (0.00323487% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579671509911 (0.00337954% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511732418807 (0.00101197% change) large trace change predicted (0.00208784%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371329185268 (0.00209137% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315053336248 (0.000838269% change) large trace change predicted (0.00185114%) linmin: converged after 6 iterations. iteration 31: trace = 6.713190941678135 (0.00184876% change) linmin: converged after 4 iterations. iteration 32: trace = 6.713118662949396 (0.00107667% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048702456197 (0.00104215% change) linmin: converged after 4 iterations. iteration 34: trace = 6.712960186571246 (0.00131857% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421130598 (0.000309334% change) large trace change predicted (0.00071383%) linmin: converged after 4 iterations. iteration 36: trace = 6.712891502854644 (0.000713822% change) linmin: converged after 3 iterations. iteration 37: trace = 6.712883798813513 (0.000114765% change) large trace change predicted (0.000489864%) linmin: converged after 5 iterations. iteration 38: trace = 6.712850923537964 (0.000489735% change) linmin: converged after 17 iterations. iteration 39: trace = 6.712831946054455 (0.000282704% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122177292 (0.000191035% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799136904248 (0.000297718% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544479975 (6.8413e-05% change) large trace change predicted (0.000162518%) linmin: converged after 3 iterations. iteration 43: trace = 6.712783638534319 (0.000162465% change) linmin: converged after 12 iterations. iteration 44: trace = 6.712781295388652 (3.49057e-05% change) large trace change predicted (8.74452e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.712775425428213 (8.74446e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.712773786862236 (2.44097e-05% change) large trace change predicted (5.1525e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326702039 (5.15459e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502732814 (4.20686e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 6.71276670572763 (1.1873e-05% change) large trace change predicted (4.49241e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.712763689634836 (4.49307e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 6.712763102138238 (8.75193e-06% change) large trace change predicted (2.71667e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.712761278495808 (2.71668e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 6.712760419626184 (1.27946e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.712759718324621 (1.04473e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.712759022193954 (1.03703e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.712758847526151 (2.60203e-06% change) large trace change predicted (8.44701e-06%) linmin: converged after 3 iterations. iteration 57: trace = 6.712758280604067 (8.44544e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.712758165091206 (1.7208e-06% change) large trace change predicted (5.84606e-06%) linmin: converged after 4 iterations. iteration 59: trace = 6.712757772724152 (5.84509e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 6.712757572397931 (2.98426e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 6.712757429155298 (2.13389e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251619532 (2.64475e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.712757218526112 (4.92993e-07% change) large trace change predicted (1.75906e-06%) linmin: converged after 6 iterations. iteration 64: trace = 6.712757100439914 (1.75913e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.712757077214144 (3.45994e-07% change) large trace change predicted (7.7499e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025189743 (7.75008e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 6.712756982529514 (6.3551e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959209679 (3.47396e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913046917 (6.87687e-07% change) resetting CG direction... linmin: converged after 19 iterations. iteration 70: trace = 6.712756900877062 (1.81294e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887638629 (1.97213e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.71275688341093 (6.29801e-08% change) large trace change predicted (1.50508e-07%) linmin: converged after 12 iterations. iteration 73: trace = 6.71275687330786 (1.50506e-07% change) linmin: converged after 19 iterations. iteration 74: trace = 6.712756865412508 (1.17617e-07% change) linmin: converged after 6 iterations. iteration 75: trace = 6.712756859683109 (8.53509e-08% change) large trace change predicted (2.04361e-07%) linmin: converged after 24 iterations. iteration 76: trace = 6.712756845964888 (2.0436e-07% change) linmin: converged after 7 iterations. iteration 77: trace = 6.712756843622527 (3.48942e-08% change) large trace change predicted (1.27344e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.712756835074155 (1.27345e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.712756830487558 (6.83266e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 6.712756828639383 (2.75323e-08% change) linmin: converged after 20 iterations. iteration 81: trace = 6.712756824947974 (5.4991e-08% change) linmin: converged after 5 iterations. iteration 82: trace = 6.712756821606838 (4.97729e-08% change) linmin: converged after 6 iterations. iteration 83: trace = 6.712756819957895 (2.45643e-08% change) linmin: converged after 12 iterations. iteration 84: trace = 6.712756818925357 (1.53817e-08% change) large trace change predicted (3.12508e-08%) linmin: converged after 7 iterations. iteration 85: trace = 6.712756816827598 (3.12503e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.712756816425909 (5.98397e-09% change) large trace change predicted (2.09825e-08%) linmin: converged after 7 iterations. iteration 87: trace = 6.712756815017419 (2.09823e-08% change) linmin: converged after 4 iterations. iteration 88: trace = 6.712756814601587 (6.19466e-09% change) linmin: converged after 12 iterations. iteration 89: trace = 6.712756814039085 (8.3796e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.712756813426791 (9.12135e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 6.712756812996636 (6.40802e-09% change) linmin: converged after 22 iterations. iteration 92: trace = 6.712756812824484 (2.56455e-09% change) large trace change predicted (6.83861e-09%) linmin: converged after 4 iterations. iteration 93: trace = 6.712756812365434 (6.83847e-09% change) linmin: converged after 4 iterations. iteration 94: trace = 6.712756811977275 (5.78241e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.712756811894042 (1.23992e-09% change) large trace change predicted (3.7171e-09%) linmin: converged after 4 iterations. iteration 96: trace = 6.712756811644525 (3.71707e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.712756811581106 (9.44748e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.712756811502445 (1.17181e-09% change) linmin: converged after 6 iterations. iteration 99: trace = 6.712756811397159 (1.56845e-09% change) linmin: converged after 4 iterations. iteration 100: trace = 6.712756811365788 (4.67339e-10% change) large trace change predicted (1.85038e-09%) linmin: converged after 5 iterations. iteration 101: trace = 6.712756811241579 (1.85034e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 6.71275681118478 (8.46122e-10% change) linmin: converged after 4 iterations. iteration 103: trace = 6.712756811156159 (4.26375e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.712756811110427 (6.81261e-10% change) linmin: converged after 12 iterations. iteration 105: trace = 6.712756811081495 (4.31006e-10% change) linmin: converged after 3 iterations. iteration 106: trace = 6.712756811075088 (9.54499e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 1.9332091808319092 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.8044478351434 (0.0750926% change) large trace change predicted (0.247846%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509654498768 (0.249238% change) linmin: converged after 12 iterations. iteration 3: trace = 6.784165962770588 (0.0492746% change) large trace change predicted (0.154109%) linmin: converged after 4 iterations. iteration 4: trace = 6.77384718771364 (0.152217% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519747236007 (0.0195985% change) large trace change predicted (0.0906905%) linmin: converged after 4 iterations. iteration 6: trace = 6.766221005409494 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489254010924 (0.0108154% change) large trace change predicted (0.0789849%) linmin: converged after 4 iterations. iteration 8: trace = 6.75996017364335 (0.0817582% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699812827886 (0.00385159% change) large trace change predicted (0.0309307%) linmin: converged after 3 iterations. iteration 10: trace = 6.757603788004104 (0.0310125% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757368968240837 (0.00347496% change) large trace change predicted (0.0247089%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700209858244 (0.0246984% change) linmin: converged after 4 iterations. iteration 13: trace = 6.75550475371244 (0.00289325% change) large trace change predicted (0.0128516%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652067148228 (0.0126229% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115821019064 (0.00793923% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542652422613 (0.00848657% change) large trace change predicted (0.0199713%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183278269626 (0.0201303% change) linmin: converged after 4 iterations. iteration 18: trace = 6.75208493575188 (0.00145647% change) large trace change predicted (0.015881%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015905606896 (0.0158338% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877637360235 (0.00204813% change) large trace change predicted (0.0154239%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833196948091 (0.0154724% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728269033688 (0.00155454% change) large trace change predicted (0.0115026%) linmin: converged after 8 iterations. iteration 23: trace = 6.748952010720384 (0.0115012% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764532707238 (0.00277792% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017376526 (0.00427518% change) linmin: converged after 4 iterations. iteration 26: trace = 6.74826276729166 (0.00316002% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165139926822 (0.00144671% change) large trace change predicted (0.00385794%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905812116392 (0.00384301% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846599163342 (0.000877505% change) large trace change predicted (0.00317739%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632827871498 (0.00316804% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606384649958 (0.00039189% change) large trace change predicted (0.00306599%) linmin: converged after 6 iterations. iteration 32: trace = 6.747399942257656 (0.00305954% change) linmin: converged after 5 iterations. iteration 33: trace = 6.747387711015182 (0.000181274% change) large trace change predicted (0.00242319%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225019319337 (0.00241121% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960783946 (0.000460317% change) large trace change predicted (0.00107865%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121432363463 (0.00107495% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099769037731 (0.000321076% change) large trace change predicted (0.000751319%) linmin: converged after 5 iterations. iteration 38: trace = 6.747049143717764 (0.00075033% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008134513375 (0.000607811% change) linmin: converged after 8 iterations. iteration 40: trace = 6.746998868110698 (0.000137341% change) large trace change predicted (0.000631485%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956261049553 (0.000631498% change) linmin: converged after 17 iterations. iteration 42: trace = 6.746953503606534 (4.08694e-05% change) large trace change predicted (0.000481241%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047449827 (0.00048105% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917365672457 (5.45698e-05% change) large trace change predicted (0.000269893%) linmin: converged after 3 iterations. iteration 45: trace = 6.746899160219138 (0.000269834% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895007681262 (6.15474e-05% change) large trace change predicted (0.000193055%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974548431 (0.000193172% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874480879051 (0.000111069% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868148057193 (9.38631e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.746857504130872 (0.000157761% change) linmin: converged after 5 iterations. iteration 51: trace = 6.746855517504448 (2.94452e-05% change) large trace change predicted (0.000214725%) linmin: converged after 13 iterations. iteration 52: trace = 6.746841037938518 (0.000214612% change) linmin: converged after 3 iterations. iteration 53: trace = 6.746840193319111 (1.25187e-05% change) large trace change predicted (9.31731e-05%) linmin: converged after 4 iterations. iteration 54: trace = 6.746833909874822 (9.31317e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185120688 (1.07421e-05% change) large trace change predicted (5.96401e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162775065 (5.96183e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.74682872584188 (6.47613e-06% change) large trace change predicted (2.46616e-05%) linmin: converged after 3 iterations. iteration 58: trace = 6.746827062783421 (2.46495e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.746825889422444 (1.73913e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.7468254528186 (6.47125e-06% change) large trace change predicted (2.9587e-05%) linmin: converged after 4 iterations. iteration 61: trace = 6.746823456469007 (2.95895e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.746823127186178 (4.88056e-06% change) large trace change predicted (2.68491e-05%) linmin: converged after 4 iterations. iteration 63: trace = 6.746821315813991 (2.68478e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.74682118419874 (1.95077e-06% change) large trace change predicted (1.52545e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154925574 (1.52557e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.746820081598261 (1.08684e-06% change) large trace change predicted (7.08505e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603550819 (7.08552e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452654242 (2.23656e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 6.746819257362958 (2.89457e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.746819149258496 (1.6023e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.746819008848828 (2.08112e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910390979 (1.45932e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745366121 (2.44597e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.7468186168483 (1.90487e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.746818399163002 (3.22649e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.746818285200208 (1.68913e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818110005857 (2.5967e-06% change) linmin: converged after 15 iterations. iteration 78: trace = 6.746818071168098 (5.75646e-07% change) large trace change predicted (1.54232e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967112386 (1.54229e-06% change) linmin: converged after 15 iterations. iteration 80: trace = 6.746817916805639 (7.45637e-07% change) linmin: converged after 5 iterations. iteration 81: trace = 6.746817907872918 (1.32399e-07% change) large trace change predicted (1.24818e-06%) linmin: converged after 3 iterations. iteration 82: trace = 6.746817823656416 (1.24824e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.746817816741741 (1.02488e-07% change) large trace change predicted (1.0307e-06%) linmin: converged after 6 iterations. iteration 84: trace = 6.746817747203361 (1.03068e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.746817736432 (1.59651e-07% change) large trace change predicted (4.77887e-07%) linmin: converged after 12 iterations. iteration 86: trace = 6.746817704190105 (4.77883e-07% change) linmin: converged after 3 iterations. iteration 87: trace = 6.746817697549723 (9.84224e-08% change) large trace change predicted (2.33383e-07%) linmin: converged after 13 iterations. iteration 88: trace = 6.74681768180402 (2.3338e-07% change) linmin: converged after 4 iterations. iteration 89: trace = 6.746817679536382 (3.36105e-08% change) large trace change predicted (1.96595e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817666272639 (1.96593e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.746817665247363 (1.51964e-08% change) large trace change predicted (1.41411e-07%) linmin: converged after 4 iterations. iteration 92: trace = 6.746817655706721 (1.4141e-07% change) linmin: converged after 26 iterations. iteration 93: trace = 6.746817655067918 (9.46821e-09% change) large trace change predicted (1.33504e-07%) linmin: converged after 9 iterations. iteration 94: trace = 6.746817646060598 (1.33505e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.746817642485677 (5.29868e-08% change) linmin: converged after 20 iterations. iteration 96: trace = 6.746817637600816 (7.24025e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.746817635239473 (3.49994e-08% change) large trace change predicted (7.8164e-08%) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629965874 (7.81642e-08% change) linmin: converged after 10 iterations. iteration 99: trace = 6.746817626196352 (5.58711e-08% change) linmin: converged after 33 iterations. iteration 100: trace = 6.746817626000397 (2.9044e-09% change) large trace change predicted (2.59506e-08%) linmin: converged after 34 iterations. iteration 101: trace = 6.746817624249551 (2.59507e-08% change) linmin: converged after 11 iterations. iteration 102: trace = 6.746817624101108 (2.20019e-09% change) large trace change predicted (1.59764e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623023198 (1.59766e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.746817622890795 (1.96246e-09% change) large trace change predicted (1.62697e-08%) linmin: converged after 6 iterations. iteration 105: trace = 6.746817621793102 (1.62698e-08% change) linmin: converged after 26 iterations. iteration 106: trace = 6.74681762168526 (1.59842e-09% change) large trace change predicted (1.71878e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620525645 (1.71876e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.746817620438056 (1.29823e-09% change) large trace change predicted (1.15917e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.746817619655988 (1.15917e-08% change) linmin: converged after 15 iterations. iteration 110: trace = 6.746817619613124 (6.35314e-10% change) large trace change predicted (5.76958e-09%) linmin: converged after 4 iterations. iteration 111: trace = 6.746817619223854 (5.7697e-09% change) linmin: converged after 15 iterations. iteration 112: trace = 6.746817619185846 (5.63344e-10% change) large trace change predicted (2.34418e-09%) linmin: converged after 19 iterations. iteration 113: trace = 6.746817619027684 (2.34424e-09% change) linmin: converged after 6 iterations. iteration 114: trace = 6.746817618906695 (1.79328e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618789834 (1.73209e-09% change) linmin: converged after 10 iterations. iteration 116: trace = 6.746817618601854 (2.78619e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 6.746817618590867 (1.62844e-10% change) large trace change predicted (1.0965e-09%) linmin: converged after 10 iterations. iteration 118: trace = 6.746817618516902 (1.09631e-09% change) linmin: converged after 16 iterations. iteration 119: trace = 6.746817618507549 (1.38621e-10% change) large trace change predicted (1.28664e-09%) linmin: converged after 10 iterations. iteration 120: trace = 6.746817618420743 (1.28662e-09% change) linmin: converged after 11 iterations. iteration 121: trace = 6.746817618412694 (1.19309e-10% change) large trace change predicted (1.81309e-09%) linmin: converged after 4 iterations. iteration 122: trace = 6.746817618290359 (1.81321e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.74681761827393 (2.43515e-10% change) large trace change predicted (1.07706e-09%) linmin: converged after 17 iterations. iteration 124: trace = 6.746817618201255 (1.07718e-09% change) linmin: converged after 4 iterations. iteration 125: trace = 6.746817618193226 (1.18993e-10% change) large trace change predicted (3.69866e-10%) linmin: converged after 4 iterations. iteration 126: trace = 6.746817618168281 (3.69735e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.74681761814764 (3.05941e-10% change) linmin: converged after 2 iterations. iteration 128: trace = 6.746817618140222 (1.09949e-10% change) linmin: converged after 7 iterations. iteration 129: trace = 6.746817618125428 (2.19266e-10% change) linmin: converged after 2 iterations. iteration 130: trace = 6.746817618121911 (5.2131e-11% change) Finished solving for bands 1 to 8 after 130 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 1.8223114013671875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814787989312 (0.213096% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656654509076 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258493879119 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682648152434 (0.109787% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477746036274 (0.046481% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890274792224329 (0.0464743% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461942209045 (0.0408318% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497362695297 (0.0721074% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290953215395 (0.0465987% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875157000383541 (0.0601108% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798266999787 (0.034314% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870795086594073 (0.0291508% change) linmin: converged after 4 iterations. iteration 13: trace = 6.86839591905275 (0.0349244% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214460393963 (0.0317659% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840114271255 (0.0200181% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049097411033 (0.0115234% change) large trace change predicted (0.0249857%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313319854823 (0.0252912% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715281714024 (0.0232899% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968867095816 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391987730293 (0.00840971% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827543470897 (0.00822912% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164445695918 (0.00966827% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406213742799 (0.0110565% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832812668843 (0.00836213% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491585992178 (0.00497657% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252213955899 (0.00349123% change) linmin: converged after 3 iterations. iteration 27: trace = 6.856048907759838 (0.00296531% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800388343612 (0.00362489% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651414321572 (0.00217299% change) linmin: converged after 4 iterations. iteration 30: trace = 6.85551244955388 (0.00202703% change) linmin: converged after 5 iterations. iteration 31: trace = 6.855355721707291 (0.00228618% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230964049745 (0.00181987% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155361996394 (0.00110284% change) linmin: converged after 4 iterations. iteration 34: trace = 6.855094923209286 (0.000881658% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502522022593 (0.00101681% change) linmin: converged after 3 iterations. iteration 36: trace = 6.854917694881054 (0.00156857% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865491725366 (0.000761546% change) linmin: converged after 5 iterations. iteration 38: trace = 6.854810987470301 (0.000795121% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754433469378 (0.00082503% change) linmin: converged after 4 iterations. iteration 40: trace = 6.854698864951357 (0.00081066% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636658912089 (0.000907499% change) linmin: converged after 4 iterations. iteration 42: trace = 6.854585363719888 (0.000748331% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557544507091 (0.000405849% change) linmin: converged after 5 iterations. iteration 44: trace = 6.854534989998289 (0.000329045% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507851821579 (0.000395916% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474003069903 (0.000493819% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448914350061 (0.00036602% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430744342604 (0.000265084% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409554440109 (0.000309142% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819508194 (0.000331684% change) linmin: converged after 5 iterations. iteration 51: trace = 6.854372357327968 (0.000210992% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722410995 (0.000125977% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940939491 (0.000113526% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218710356 (0.000112662% change) linmin: converged after 3 iterations. iteration 55: trace = 6.854341815186448 (9.34228e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867354777 (7.21854e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.854332981396825 (5.66934e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856513015 (6.01792e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.854325493406678 (4.90654e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731349222 (6.94752e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900690151 (4.12974e-05% change) linmin: converged after 14 iterations. iteration 62: trace = 6.854316466669672 (2.09214e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.854314812370705 (2.41351e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.85431270814234 (3.06993e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.854310570375801 (3.11886e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275721606 (1.88882e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 6.854307864115552 (2.05944e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.854306225891643 (2.39006e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757601273 (2.14214e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.854304291819817 (6.79546e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980854112 (4.53679e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707023925 (3.99501e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.854303306250371 (5.84704e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028459787 (4.05279e-06% change) linmin: converged after 26 iterations. iteration 75: trace = 6.854302857028824 (2.50107e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716407965 (2.05157e-06% change) linmin: converged after 21 iterations. iteration 77: trace = 6.854302589318486 (1.85416e-06% change) linmin: converged after 8 iterations. iteration 78: trace = 6.8543024219952 (2.44114e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.854302178669798 (3.54997e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043171542 (1.97684e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.854301959866874 (1.21536e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.854301838195695 (1.77511e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.854301701147671 (1.99945e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.854301574144308 (1.8529e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.854301492749324 (1.1875e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369182877 (1.80276e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.854301206101426 (2.37926e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 6.854301115055389 (1.32831e-06% change) linmin: converged after 8 iterations. iteration 89: trace = 6.854301061409414 (7.82661e-07% change) linmin: converged after 10 iterations. iteration 90: trace = 6.85430101058803 (7.41452e-07% change) linmin: converged after 25 iterations. iteration 91: trace = 6.854300954171511 (8.23082e-07% change) linmin: converged after 9 iterations. iteration 92: trace = 6.854300910074123 (6.43354e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.854300884300905 (3.76015e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282391 (1.60753e-07% change) linmin: converged after 14 iterations. iteration 95: trace = 6.85430086333026 (1.45195e-07% change) linmin: converged after 5 iterations. iteration 96: trace = 6.8543008522905 (1.61063e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845276386 (1.02332e-07% change) linmin: converged after 4 iterations. iteration 98: trace = 6.854300839712233 (8.11775e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.854300833149797 (9.57419e-08% change) linmin: converged after 17 iterations. iteration 100: trace = 6.854300824943884 (1.19719e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821443228 (5.10724e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.85430081941243 (2.96281e-08% change) linmin: converged after 2 iterations. iteration 103: trace = 6.854300816196325 (4.6921e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 6.854300810980522 (7.60953e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 6.854300805513105 (7.97662e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.85430080083837 (6.82015e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854300798695352 (3.12653e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854300795829086 (4.1817e-08% change) large trace change predicted (8.55129e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.854300789967759 (8.55131e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.854300784483071 (8.00182e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782568909 (2.79264e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300780884584 (2.45733e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854300777946526 (4.28644e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 6.854300776030484 (2.79539e-08% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854300775076961 (1.39113e-08% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854300773901541 (1.71486e-08% change) linmin: converged after 5 iterations. iteration 117: trace = 6.854300773062589 (1.22398e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 6.854300772491557 (8.331e-09% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854300772093142 (5.81264e-09% change) linmin: converged after 8 iterations. iteration 120: trace = 6.854300771871336 (3.23601e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854300771709897 (2.35529e-09% change) linmin: converged after 8 iterations. iteration 122: trace = 6.854300771418055 (4.2578e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771297972 (1.75194e-09% change) linmin: converged after 7 iterations. iteration 124: trace = 6.854300771230555 (9.83562e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854300771169864 (8.85444e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771101607 (9.95833e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.854300771046185 (8.08565e-10% change) linmin: converged after 5 iterations. iteration 128: trace = 6.854300771013497 (4.76905e-10% change) linmin: converged after 3 iterations. iteration 129: trace = 6.854300770988869 (3.59299e-10% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854300770973587 (2.22955e-10% change) linmin: converged after 17 iterations. iteration 131: trace = 6.854300770966001 (1.10687e-10% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854300770959848 (8.97599e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.584249496459961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.701793255697757 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007042 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606104412 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341773 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679233695 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919% Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% total elapsed time for run: 28.57735323905945 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepFBAM2J/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepFBAM2J/test_run_te_with_mu_material-0: 28.58s /tmp/meepFBAM2J/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017087459564208984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.5840761661529541 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.31969285011291504 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.20363569259643555 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.04782414436340332 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.1466352939605713 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.054068803787231445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04593324661254883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.04191708564758301 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.06740951538085938 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.05167126655578613 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.08484673500061035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.059745073318481445 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.04679584503173828 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.07974410057067871 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.05168271064758301 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.16650676727294922 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 2.0554745197296143 done /tmp/meepFBAM2J/test_run_tm-0: 2.06s /tmp/meepFBAM2J/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016732215881347656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.16530299186706543 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4557943344116211 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09783554077148438 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08742713928222656 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.22276616096496582 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.39264392852783203 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.4688866138458252 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10118961334228516 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08657312393188477 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1859581470489502 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.3735063076019287 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06638050079345703 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.09281659126281738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10508489608764648 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1244819164276123 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25489068031311035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.2848541736602783 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016584396362304688 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.21925950050354004 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6393897533416748 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10166430473327637 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08811306953430176 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.13018512725830078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1567370891571045 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.17484807968139648 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.363659143447876 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1123044490814209 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1013495922088623 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08259153366088867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0689094066619873 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.08019256591796875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.19491815567016602 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.13351893424987793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6698310375213623 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.320626974105835 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001667022705078125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.19902324676513672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1143653392791748 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.24817585945129395 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08777737617492676 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.11756110191345215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1605851650238037 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6218256950378418 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10480046272277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08652424812316895 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08362650871276855 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08452391624450684 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06566834449768066 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07595157623291016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10407829284667969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12147235870361328 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.28977394104003906 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.568908214569092 done /tmp/meepFBAM2J/test_set_eigenvectors-0: 10.18s /tmp/meepFBAM2J/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015861988067626953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690054 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638006 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994748 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915676 (3.48814% change) linmin: converged after 5 iterations. iteration 6: trace = 5.704204927742774 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719287 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801683 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863861 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.63238951095019 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281851 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828863 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451508 (0.00632352% change) linmin: converged after 4 iterations. iteration 14: trace = 5.629707527279329 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 6 iterations. iteration 16: trace = 5.629334770611423 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179754779 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143345387 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210335247 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227212604 (0.00106561% change) linmin: converged after 4 iterations. iteration 21: trace = 5.628918234634898 (0.000657186% change) linmin: converged after 13 iterations. iteration 22: trace = 5.628892160266247 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918705998 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540675988 (0.000131075% change) linmin: converged after 6 iterations. iteration 25: trace = 5.628866521545568 (7.14021e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 5.628864944361773 (2.80196e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 5.628864428335515 (9.1675e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.628864254010919 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199205668 (9.73647e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 5.628864180871601 (3.25715e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355644 (1.1576e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803173 (4.53461e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678025 (1.99889e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 5.628864170196713 (8.55078e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964596 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778765 (3.30139e-09% change) linmin: converged after 12 iterations. iteration 37: trace = 5.628864169602526 (3.131e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 5.628864169405927 (3.4927e-09% change) linmin: converged after 9 iterations. iteration 39: trace = 5.628864169253099 (2.71508e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628864169153879 (1.76269e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 5.628864169097579 (1.00021e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061671 (6.37913e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.62886416903688 (4.40439e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.628864169022885 (2.4863e-10% change) linmin: converged after 5 iterations. iteration 45: trace = 5.628864169016389 (1.15408e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.1273210048675537 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383808177 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054238222 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656916263 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656698282 (0.0219717% change) linmin: converged after 3 iterations. iteration 5: trace = 5.651455832958964 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354684 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221654 (0.00509164% change) linmin: converged after 5 iterations. iteration 8: trace = 5.650503338619168 (0.00301938% change) linmin: converged after 6 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 3 iterations. iteration 10: trace = 5.650387262434869 (0.000763755% change) linmin: converged after 4 iterations. iteration 11: trace = 5.650369556591794 (0.000313357% change) linmin: converged after 4 iterations. iteration 12: trace = 5.650362805816114 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400670214 (4.25662e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822551868 (1.02315e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.650359570380632 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721783 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358939 (7.49737e-07% change) linmin: converged after 15 iterations. iteration 18: trace = 5.650359402315163 (2.83943e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.650359397610368 (8.32654e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.650359395697522 (3.38535e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.650359394584378 (1.97004e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286108 (2.29768e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 5.650359391538194 (3.09346e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.65035938990169 (2.89628e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.650359388475219 (2.52457e-08% change) linmin: converged after 14 iterations. iteration 26: trace = 5.650359386380272 (3.70764e-08% change) large trace change predicted (9.57982e-08%) linmin: converged after 6 iterations. iteration 27: trace = 5.650359380967167 (9.58011e-08% change) near maximum in trace linmin: converged after 12 iterations. iteration 28: trace = 5.65029130912194 (0.00120474% change) linmin: converged after 7 iterations. iteration 29: trace = 5.650291234061909 (1.32843e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.650291159747921 (1.31522e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 5.650291086201616 (1.30164e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.650291013437279 (1.2878e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 5.650290941462908 (1.27382e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.650290870281232 (1.25979e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.650290799890623 (1.24579e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.650290730285771 (1.23188e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.650290661458452 (1.21812e-06% change) linmin: converged after 7 iterations. iteration 38: trace = 5.650290593398053 (1.20455e-06% change) linmin: converged after 15 iterations. iteration 39: trace = 5.650290526092048 (1.1912e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.650290459526456 (1.17809e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 5.650290393686173 (1.16525e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 5.650290328555217 (1.1527e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 5.650290264117083 (1.14044e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.650290200354844 (1.12848e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290137251378 (1.11682e-06% change) linmin: converged after 9 iterations. iteration 46: trace = 5.650290074789467 (1.10546e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.650290012951959 (1.09441e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289951721833 (1.08366e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289891082261 (1.07321e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 5.650289831016662 (1.06305e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.650289771508803 (1.05318e-06% change) linmin: converged after 6 iterations. iteration 52: trace = 5.650289712542765 (1.04359e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 5.650289654102977 (1.03428e-06% change) linmin: converged after 17 iterations. iteration 54: trace = 5.650289596174298 (1.02523e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.650289538735549 (1.01656e-06% change) linmin: converged after 18 iterations. iteration 56: trace = 5.65028948178523 (1.00792e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.650289425290975 (9.99847e-07% change) linmin: converged after 7 iterations. iteration 58: trace = 5.650289369263237 (9.91591e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 5.650289313676903 (9.83779e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 5.650289258515707 (9.76254e-07% change) linmin: converged after 7 iterations. iteration 61: trace = 5.650289203774422 (9.68823e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.65028914943757 (9.61665e-07% change) linmin: converged after 10 iterations. iteration 63: trace = 5.650289095493558 (9.54712e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 5.650289041921457 (9.4813e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 5.65028898872999 (9.41394e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 5.650288935898927 (9.35015e-07% change) linmin: converged after 13 iterations. iteration 67: trace = 5.650288883409756 (9.28964e-07% change) linmin: converged after 7 iterations. iteration 68: trace = 5.650288831261826 (9.22925e-07% change) linmin: converged after 8 iterations. iteration 69: trace = 5.650288779444876 (9.17067e-07% change) resetting CG direction... large trace change predicted (0.0219494%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030468293702 (0.0222723% change) linmin: converged after 3 iterations. iteration 71: trace = 5.64829136620188 (0.0130846% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952692809617 (0.00599621% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647730066485801 (0.00394179% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486452368881 (0.00431358% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157647966095 (0.00582231% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646836023572824 (0.00569549% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550485301955 (0.00505673% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220747932997 (0.0058398% change) large trace change predicted (0.0119218%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515259687648 (0.0124957% change) large trace change predicted (0.0250157%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058926472955 (0.0257996% change) linmin: converged after 10 iterations. iteration 81: trace = 5.642273446376459 (0.0316397% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640698255256122 (0.0279216% change) linmin: converged after 7 iterations. iteration 83: trace = 5.639845149544605 (0.0151253% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288483577501 (0.00987072% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902685900879 (0.00684148% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726995261628 (0.00311574% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638885026625 (0.0015626% change) linmin: converged after 5 iterations. iteration 88: trace = 5.638595387765385 (0.000771417% change) linmin: converged after 3 iterations. iteration 89: trace = 5.63857049670874 (0.000441442% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555869927401 (0.000259406% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546196966949 (0.00017155% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539566898372 (0.000117585% change) linmin: converged after 3 iterations. iteration 93: trace = 5.63853584120281 (6.60756e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 5.638534039131848 (3.19599e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 5.638532923217655 (1.97909e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.63853201375318 (1.61295e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531074937021 (1.665e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 5.638530027134964 (1.85829e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 5.638528499055526 (2.71007e-05% change) linmin: converged after 6 iterations. iteration 100: trace = 5.638526250349737 (3.98811e-05% change) linmin: converged after 4 iterations. iteration 101: trace = 5.638523966989695 (4.04957e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.6385216988416 (4.02259e-05% change) linmin: converged after 5 iterations. iteration 103: trace = 5.638518649900305 (5.40734e-05% change) linmin: converged after 4 iterations. iteration 104: trace = 5.63851666923112 (3.51275e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788362522 (1.56223e-05% change) linmin: converged after 4 iterations. iteration 106: trace = 5.638515475732303 (5.54455e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 5.63851535359939 (2.16605e-06% change) linmin: converged after 4 iterations. iteration 108: trace = 5.638515290971848 (1.11071e-06% change) linmin: converged after 6 iterations. iteration 109: trace = 5.638515251423739 (7.01392e-07% change) linmin: converged after 16 iterations. iteration 110: trace = 5.638515230513041 (3.70855e-07% change) linmin: converged after 2 iterations. iteration 111: trace = 5.6385152189832 (2.04484e-07% change) linmin: converged after 7 iterations. iteration 112: trace = 5.63851521453465 (7.88958e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 5.638515212759899 (3.14755e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 5.638515211748622 (1.79352e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 5.638515210948728 (1.41863e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 5.638515210027005 (1.63469e-08% change) linmin: converged after 4 iterations. iteration 117: trace = 5.638515209014515 (1.79567e-08% change) linmin: converged after 10 iterations. iteration 118: trace = 5.638515207797895 (2.1577e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 5.638515206519796 (2.26673e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.63851520504288 (2.61934e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202936349 (3.73597e-08% change) linmin: converged after 4 iterations. iteration 122: trace = 5.638515200860235 (3.68202e-08% change) linmin: converged after 6 iterations. iteration 123: trace = 5.63851519909181 (3.13633e-08% change) linmin: converged after 8 iterations. iteration 124: trace = 5.638515198026758 (1.88889e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197269305 (1.34336e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 5.638515196711155 (9.89888e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196251477 (8.15246e-09% change) linmin: converged after 8 iterations. iteration 128: trace = 5.638515195990945 (4.62058e-09% change) linmin: converged after 8 iterations. iteration 129: trace = 5.638515195870702 (2.13254e-09% change) linmin: converged after 8 iterations. iteration 130: trace = 5.638515195810788 (1.06258e-09% change) linmin: converged after 3 iterations. iteration 131: trace = 5.638515195782595 (5e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576966 (2.29412e-10% change) linmin: converged after 5 iterations. iteration 133: trace = 5.638515195763932 (1.01585e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.5702738761901855 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836813777 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920319447 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913818451 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117723827 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090452 (0.00623453% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874338 (0.0015346% change) linmin: converged after 9 iterations. iteration 7: trace = 5.595198313937154 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956797 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684432 (7.71069e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.595180202268759 (3.23388e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.59517960404312 (1.06918e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.595179391571371 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.595179285473622 (4.58688e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.595179276623069 (1.58182e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689018 (5.24389e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904637 (1.40189e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.595179272581779 (5.77029e-09% change) linmin: converged after 11 iterations. iteration 19: trace = 5.595179272336526 (4.3833e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.595179272188355 (2.64818e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.595179272063362 (2.23395e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.59517927196455 (1.76601e-09% change) linmin: converged after 17 iterations. iteration 23: trace = 5.595179271878046 (1.54605e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843302 (6.20959e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.595179271827009 (2.91208e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.595179271819181 (1.39898e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.2760140895843506 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769399094 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264359311 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100766153 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954554049 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315722 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291432 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907684 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250994 (0.000133931% change) linmin: converged after 5 iterations. iteration 10: trace = 5.577903978777094 (3.43225e-05% change) linmin: converged after 12 iterations. iteration 11: trace = 5.57790346238493 (9.25782e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.577903351821988 (1.98216e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.577903319845028 (5.73279e-07% change) linmin: converged after 26 iterations. iteration 14: trace = 5.577903310566406 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418655 (5.64325e-08% change) linmin: converged after 12 iterations. iteration 16: trace = 5.57790330586165 (2.79138e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.577903305185303 (1.21255e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.577903304857366 (5.87921e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.577903304716055 (2.53341e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.577903304686389 (5.31849e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.577903304676372 (1.79581e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.10460400581359863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984177758 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098157666 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607935736 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314419059 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452726608 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329847 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.59408706885172 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640523 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820709 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.59403506708577 (6.33306e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.594033390558401 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184891 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982707 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072586 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788909 (1.2564e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.594031455144973 (5.47797e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 5.594031432706858 (4.01108e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.594031422730694 (1.78336e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.594031418912031 (6.82632e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677416 (2.20702e-08% change) linmin: converged after 13 iterations. iteration 22: trace = 5.594031417255708 (7.53853e-09% change) linmin: converged after 23 iterations. iteration 23: trace = 5.594031417032638 (3.98765e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.594031416919612 (2.02048e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.59403141687714 (7.59234e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.594031416862822 (2.55957e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.09775233268737793 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023161 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639067469 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452943627 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770227 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073526 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507559706 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056389 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858954874 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947096 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879081736 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.640440099441649 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644369 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778243 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718165 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782468 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569713 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805507 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771831 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137831 (3.15153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 5.637416175196376 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.63741573868567 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.63741548882805 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 21 iterations. iteration 25: trace = 5.637415263728908 (1.61605e-06% change) linmin: converged after 23 iterations. iteration 26: trace = 5.637415208122752 (9.86377e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 5.637415147804327 (1.06997e-06% change) large trace change predicted (2.89726e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984467265 (2.89738e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.637414701465812 (5.02006e-06% change) linmin: converged after 13 iterations. iteration 30: trace = 5.637414479207225 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382458896 (1.71618e-06% change) linmin: converged after 5 iterations. iteration 32: trace = 5.637414352167748 (5.37323e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.637414342884079 (1.6468e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.637414340072562 (4.98725e-08% change) linmin: converged after 12 iterations. iteration 35: trace = 5.637414339312873 (1.34758e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 5.637414338914756 (7.06205e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.637414338639521 (4.88227e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.637414338456356 (3.2491e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 5.637414338381471 (1.32836e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 5.637414338347076 (6.10115e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 5.6374143383179 (5.17554e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.637414338273249 (7.92039e-10% change) linmin: converged after 13 iterations. iteration 43: trace = 5.637414338211488 (1.09556e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 5.637414338111083 (1.78105e-09% change) linmin: converged after 18 iterations. iteration 45: trace = 5.637414338017404 (1.66173e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.637414337962041 (9.82061e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 5.637414337944461 (3.11856e-10% change) linmin: converged after 9 iterations. iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.1767258644104004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961209858 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403003084 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270341415 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887656381 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.52039248359838 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529984 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279448 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913019 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845697 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.51896543492103 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752473 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189399 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535173 (3.98746e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.518941629485345 (1.02203e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.518941443520309 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51894139822527 (8.2072e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.51894138307171 (2.74574e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.518941376509183 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239345 (4.11281e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.518941372978462 (2.28465e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.518941372520745 (8.29357e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.51894137229888 (4.02005e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 5.518941372163193 (2.45857e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.518941372061857 (1.83616e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.518941371930669 (2.37704e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.518941371759532 (3.1009e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614911 (2.62045e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.518941371516171 (1.78912e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.518941371440124 (1.37792e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 5.518941371369822 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.518941371330355 (7.15121e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.518941371316811 (2.45406e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.11842727661132812 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069228532 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100369 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958259 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261594959 (0.0214305% change) linmin: converged after 3 iterations. iteration 5: trace = 5.342917059986682 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492332 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772835 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537944 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052343 (7.23916e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 5.342524762095743 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418491 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.342524475923854 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019504 (1.47952e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.3425244664443 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.34252446601954 (7.95054e-09% change) linmin: converged after 18 iterations. iteration 17: trace = 5.342524465855401 (3.07231e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.342524465750501 (1.96349e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692874 (1.07866e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.342524465655599 (6.97705e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.342524465621588 (6.36593e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.342524465595664 (4.85242e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.34252446557226 (4.38077e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.342524465547464 (4.64128e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.342524465528069 (3.63033e-10% change) linmin: converged after 15 iterations. iteration 26: trace = 5.342524465517735 (1.93428e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.26100587844848633 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851366042 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.20125099997999 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129169 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803618 (0.00667631% change) linmin: converged after 6 iterations. iteration 5: trace = 5.199636452166114 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.199588777495884 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860654868 (0.000383047% change) linmin: converged after 5 iterations. iteration 8: trace = 5.199559960602217 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513362 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338559 (1.6774e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.199556282069324 (3.1016e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.199556247771228 (6.59635e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.199556240158943 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716338 (2.77448e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.199556238427378 (5.5574e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.199556238339892 (1.68256e-09% change) linmin: converged after 15 iterations. iteration 17: trace = 5.199556238303388 (7.02062e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.19955623826938 (6.54063e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.199556238207707 (1.18611e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136203 (1.37521e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.199556238088184 (9.23511e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.19955623807294 (2.93175e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.08313584327697754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636562061 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653694802 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041818844 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935807 (0.00355468% change) linmin: converged after 4 iterations. iteration 5: trace = 5.110110328941206 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675727 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.110090048386214 (8.46421e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.110087943959178 (4.11818e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.110087209667765 (1.43694e-05% change) linmin: converged after 19 iterations. iteration 10: trace = 5.110086882135972 (6.40951e-06% change) linmin: converged after 29 iterations. iteration 11: trace = 5.11008680116278 (1.58458e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.110086778559413 (4.42328e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.11008677237288 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914108 (2.85469e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602328 (6.10128e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66933e-09% change) linmin: converged after 13 iterations. iteration 17: trace = 5.110086770480931 (7.0629e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.110086770438304 (8.34178e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.110086770329216 (2.13476e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238313 (1.7789e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.110086770200718 (7.35698e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.110086770192776 (1.5542e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.6743268966674805 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.082968734459396 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009847005 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162832763 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208724 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284587 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273342 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.07982854705658 (3.57338e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.079827969475216 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733472 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883465 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437724 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.0798277757082 (1.91533e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842991 (7.60894e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756296 (2.13924e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533072 (4.39432e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.079827770466221 (1.316e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.079827770421267 (8.84956e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.079827770346472 (1.4724e-09% change) large trace change predicted (3.34424e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176591 (3.34423e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.079827770098357 (1.54008e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.079827770077139 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 1.2006757259368896 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.14643038681267 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363819 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320569 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400246 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442865 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.13979253351684 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.13978717670438 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.13978547394731 (3.31289e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 5.139784968056223 (2.84858e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.139784924164504 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516125 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150685 (4.60221e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.139784911632526 (1.00814e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523812 (2.11515e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.1397849114978 (5.06076e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.139784911491648 (1.19702e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.49736785888671875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856601055 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434600713 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483632051 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253843 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.308110104171019 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200678 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774419 (0.000644248% change) linmin: converged after 6 iterations. iteration 8: trace = 5.307931944059677 (0.000267782% change) linmin: converged after 3 iterations. iteration 9: trace = 5.307927410039053 (8.54198e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.307925220166293 (4.12567e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.307924508322333 (1.3411e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430648 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022233 (8.30535e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763155 (2.37207e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.307924174428115 (6.31206e-09% change) linmin: converged after 17 iterations. iteration 18: trace = 5.307924174351109 (1.45079e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.307924174333355 (3.34477e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.573063850402832 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532699 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670154723 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928005754 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.521192314611162 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983861 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468542 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129566 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409325 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920189 (0.00265341% change) linmin: converged after 4 iterations. iteration 10: trace = 5.515731715125205 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343585 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907219 (0.000154857% change) linmin: converged after 3 iterations. iteration 13: trace = 5.515691983062538 (5.06708e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.515691259672616 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868783 (5.74368e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 18 iterations. iteration 17: trace = 5.515690808935375 (6.64545e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.515690790954505 (3.25995e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.515690782728353 (1.49141e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.5156907795232 (5.81097e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.51569077844038 (1.96316e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.515690778101872 (6.13718e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.515690777997051 (1.90042e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.51569077796538 (5.74192e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.515690777958355 (1.27373e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.20827865600585938 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390339643 (1.24468% change) linmin: converged after 6 iterations. iteration 2: trace = 5.6476272710025 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.632522083730581 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518819342 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.6225730091186 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744119 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490822013 (0.00597205% change) linmin: converged after 4 iterations. iteration 8: trace = 5.621208187044374 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602503575 (0.0032304% change) linmin: converged after 3 iterations. iteration 10: trace = 5.620814125076359 (0.00378012% change) linmin: converged after 7 iterations. iteration 11: trace = 5.62062988743376 (0.00327783% change) linmin: converged after 4 iterations. iteration 12: trace = 5.620459427819393 (0.0030328% change) linmin: converged after 7 iterations. iteration 13: trace = 5.62036787458806 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402055506 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079253239 (0.000272632% change) linmin: converged after 5 iterations. iteration 16: trace = 5.620311039976532 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265164774 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520931707 (1.32419e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.620308198035178 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374191 (2.43156e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 5.620308008166372 (9.46706e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.620307991490641 (2.96705e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134485 (1.30885e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.620307981733875 (4.27131e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.620307979992731 (3.09795e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 5.620307977675642 (4.12271e-08% change) linmin: converged after 12 iterations. iteration 27: trace = 5.620307974743189 (5.2176e-08% change) linmin: converged after 25 iterations. iteration 28: trace = 5.620307972553177 (3.8966e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72519e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 5.620307971162816 (7.48624e-09% change) linmin: converged after 14 iterations. iteration 31: trace = 5.620307970956896 (3.66387e-09% change) linmin: converged after 8 iterations. iteration 32: trace = 5.620307970850901 (1.88592e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 5.620307970806843 (7.83909e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 5.620307970792958 (2.47064e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.5760695934295654 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683447139 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.69013217511223 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561610348 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700192534 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569915775 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.66898719926361 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726510974 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425642517 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186201759 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953699151 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477910797 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718159335 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953640502 (0.0534701% change) linmin: converged after 6 iterations. iteration 14: trace = 5.656543771246547 (0.0462045% change) linmin: converged after 6 iterations. iteration 15: trace = 5.653314443450369 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363409049 (0.0851002% change) linmin: converged after 5 iterations. iteration 18: trace = 5.638869397659223 (0.0877799% change) linmin: converged after 5 iterations. iteration 19: trace = 5.635889317550877 (0.0528629% change) linmin: converged after 11 iterations. iteration 20: trace = 5.633934894998681 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468096789 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.63216107652609 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240217442 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940342996 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098063058 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619620746 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621853688 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051219722 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777063844 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361182864 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147465816 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226406005 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024992199 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733964276 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.62908622297124 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867570187 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408060253 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62897900457245 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468543664 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628932212763313 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703762905 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770133663 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295239232 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548977001 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125204432 (9.63561e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 5.628876480396267 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.628873855273834 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914588438 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.628870173455866 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872043185 (2.31203e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 5.628867792579706 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350905 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472395086 (1.05697e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 5.628866038937664 (7.70062e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.628865733630174 (5.42396e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 5.628865472838854 (4.63311e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.628865257055493 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067339921 (3.37041e-06% change) linmin: converged after 17 iterations. iteration 59: trace = 5.628864923854199 (2.54911e-06% change) linmin: converged after 4 iterations. iteration 60: trace = 5.628864787382382 (2.4245e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.628864676737184 (1.96568e-06% change) linmin: converged after 12 iterations. iteration 62: trace = 5.628864577624377 (1.7608e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491677724 (1.52689e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.628864423563048 (1.2101e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 5.628864369043746 (9.68567e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328356191 (7.22838e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.62886429490853 (5.94217e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268958717 (4.61013e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245244371 (4.21299e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210816833 (6.11625e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.62886418580456 (4.44357e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 5.628864176497276 (1.65349e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 5.62886417232988 (7.40362e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611609 (3.05261e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125619 (8.63391e-09% change) linmin: converged after 10 iterations. iteration 76: trace = 5.628864169899462 (4.01781e-09% change) linmin: converged after 18 iterations. iteration 77: trace = 5.628864169746225 (2.72233e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 5.628864169565629 (3.20839e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 5.628864169372546 (3.43023e-09% change) linmin: converged after 18 iterations. iteration 80: trace = 5.628864169215229 (2.79484e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 5.628864169115528 (1.77124e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 5.628864169056972 (1.04028e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 5.628864169025802 (5.53748e-10% change) linmin: converged after 7 iterations. iteration 84: trace = 5.628864169015142 (1.89395e-10% change) linmin: converged after 8 iterations. iteration 85: trace = 5.628864169011921 (5.72147e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.2988450527191162 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% total elapsed time for run: 5.847047567367554 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016753673553466797 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078474 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.60953779090269 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369743 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403813 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716676 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249221 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294311 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196533 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362643 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445939 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171114 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176239 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558819 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.4838691348752 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025639 (0.00110951% change) linmin: converged after 4 iterations. iteration 16: trace = 4.483805975020276 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715889 (0.000107795% change) linmin: converged after 3 iterations. iteration 18: trace = 4.483800147423097 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914428 (7.14815e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.483799489838405 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852839 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221835 (9.87179e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 4.483798337447185 (4.18785e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 4.483798287889884 (1.10525e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.48379827771194 (2.26994e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.48379827562259 (4.65978e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798275082743 (1.204e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 4.483798274908857 (3.87809e-09% change) linmin: converged after 15 iterations. iteration 29: trace = 4.48379827485738 (1.14807e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.4837982748355 (4.87965e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.48379827479505 (9.02144e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.483798274730371 (1.4425e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 4.483798274703624 (5.96517e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.483798274697118 (1.45118e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.672706127166748 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509364793 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.43252398877573 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.41341631617131 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019506292 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350058125 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733735445 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457686353 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753674171 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484599 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998275 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582743 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223626 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280718 (2.48273e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.398156022880025 (1.21506e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 4.39815575235615 (6.15085e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.3981556224991 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368086 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776388 (5.364e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.398155541734105 (2.51066e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009754 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105948 (4.32865e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748289 (8.13202e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692952 (1.25819e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.398155533670936 (5.00577e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 4.398155533656851 (3.20242e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.398155533649992 (1.55961e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.09885120391845703 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838449 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037746 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862876 (0.0125769% change) linmin: converged after 7 iterations. iteration 4: trace = 4.314511296930485 (0.00327244% change) linmin: converged after 16 iterations. iteration 5: trace = 4.314475376819534 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448445 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301329 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.314465863908676 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457113 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.314465855768227 (1.59669e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.314465855720843 (1.09827e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.314465855716319 (1.04845e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.04820537567138672 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869065 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762704 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461066 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922878 (0.00126456% change) linmin: converged after 6 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218786 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820414 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801437 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602304 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506426 (2.25258e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.256363888498843 (1.78163e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.047902584075927734 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891605 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314515 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317789 (0.0143588% change) linmin: converged after 4 iterations. iteration 4: trace = 4.22614266922581 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204369 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419119 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906933 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849789 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571846 (4.63151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.226095324437821 (3.17137e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.226095324430022 (1.84525e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.04956531524658203 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436597712 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957929 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.21830332395176 (0.0260571% change) linmin: converged after 4 iterations. iteration 4: trace = 4.217912996839663 (0.00925361% change) linmin: converged after 6 iterations. iteration 5: trace = 4.2178069626567 (0.00251393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.217779234764839 (0.000657403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.217772706280913 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251995 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111434 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564775 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377837 (4.43214e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362665 (3.59713e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.217772179355189 (1.77266e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.05408930778503418 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451161 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579899 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729061 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259354 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514315 (0.000307858% change) linmin: converged after 3 iterations. iteration 6: trace = 4.205423872193341 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220989 (9.98053e-07% change) linmin: converged after 13 iterations. iteration 8: trace = 4.205423828175204 (4.86463e-08% change) linmin: converged after 5 iterations. iteration 9: trace = 4.205423828042198 (3.16272e-09% change) linmin: converged after 5 iterations. iteration 10: trace = 4.205423828029007 (3.13672e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.04261636734008789 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576803 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703085 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295249 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887838 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911323 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.182592321790138 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 4.182592281925405 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.18259228103248 (1.83096e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.18259228102394 (2.04176e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.045035600662231445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921933 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845193 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.167978693502352 (0.0160192% change) linmin: converged after 6 iterations. iteration 4: trace = 4.1678332981875 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647445 (0.000484942% change) linmin: converged after 6 iterations. iteration 6: trace = 4.167811349625675 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608129 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546715 (1.69427e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.167811239290019 (3.53263e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.167811239280089 (2.38251e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.04443931579589844 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659227 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398399 (0.038731% change) linmin: converged after 4 iterations. iteration 4: trace = 4.169126573577485 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733771 (0.00231195% change) linmin: converged after 4 iterations. iteration 6: trace = 4.169023804109909 (0.000153096% change) linmin: converged after 15 iterations. iteration 7: trace = 4.169023362478118 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272603 (9.16414e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.169023320812371 (8.29986e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.169023319376691 (3.44368e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.36592e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16902331868502 (2.93157e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.16902331866883 (3.88334e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.0513453483581543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230138833 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085977992 (0.127731% change) linmin: converged after 8 iterations. iteration 3: trace = 4.184065231776855 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111325 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.17870816212099 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 4 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 28 iterations. iteration 8: trace = 4.178673127808474 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930172 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680718 (2.01618e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.178672966328761 (4.1525e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170062 (2.77289e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096562 (1.75892e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089345 (1.72718e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.05531167984008789 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590649381948 (1.05654% change) linmin: converged after 9 iterations. iteration 2: trace = 4.183207288836179 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.15660786144675 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125802194274 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.14166134336903 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875801526 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445195259 (0.00179738% change) linmin: converged after 6 iterations. iteration 8: trace = 4.141013513514483 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.14101295478792 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733243 (5.72456e-06% change) linmin: converged after 21 iterations. iteration 11: trace = 4.141012607970377 (2.65063e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.141012579996683 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178471 (4.39074e-08% change) linmin: converged after 14 iterations. iteration 14: trace = 4.141012578052829 (3.0341e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041205 (2.80694e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.141012578036994 (1.01687e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.13698053359985352 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.14756404349616 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403505422 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545649 (0.0160227% change) linmin: converged after 11 iterations. iteration 4: trace = 4.141348425305289 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051612 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855832 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897512 (4.72872e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.1413304057217 (4.24531e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701248 (4.93853e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.047028541564941406 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.21918399878927 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 9 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 6 iterations. iteration 5: trace = 4.213522375060024 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044295 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642286 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.21352137603991 (1.42963e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.213521375952432 (2.07614e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.213521375942172 (2.43507e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.12241220474243164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252167 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771339 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079406 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185593 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323273 (0.00123443% change) linmin: converged after 4 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208688 (5.42823e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.345426131439355 (8.48638e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.345426090356744 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357085 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96443e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.345426086022096 (7.44566e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.11492085456848145 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222236 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170424 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449696 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153532 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712891 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858126 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436565 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992154 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539728 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.48388337091092 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156653 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625654 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.483799885096504 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938857 (6.82808e-06% change) linmin: converged after 14 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289091 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128212 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624275 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127854 (1.44887e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611406 (3.38206e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.483798754481999 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451544 (6.79218e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798754422126 (6.56101e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798754387683 (7.68158e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798754356928 (6.85913e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.483798754303916 (1.1823e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.483798754278567 (5.65358e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.483798754271721 (1.52685e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.483798754265765 (1.32837e-10% change) large trace change predicted (4.81956e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.483798754244154 (4.81983e-10% change) large trace change predicted (2.68933e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123574 (2.68922e-09% change) large trace change predicted (9.03484e-09%) linmin: converged after 4 iterations. iteration 34: trace = 4.483798753718466 (9.03495e-09% change) large trace change predicted (3.80028e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.483798752014515 (3.80024e-08% change) large trace change predicted (1.44438e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538726 (1.44426e-07% change) large trace change predicted (4.6333e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.483798724778243 (4.63011e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696726634 (6.25622e-07% change) linmin: converged after 6 iterations. iteration 39: trace = 4.483798668084273 (6.38797e-07% change) linmin: converged after 8 iterations. iteration 40: trace = 4.483798643147862 (5.56145e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 4.483798621877794 (4.74376e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 6 iterations. iteration 42: trace = 4.483798561199338 (1.35328e-06% change) large trace change predicted (5.83358e-06%) linmin: converged after 7 iterations. iteration 43: trace = 4.483798313962898 (5.514e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 4.483798101265787 (4.74368e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.483798058281279 (9.58663e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 4.483798047910916 (2.31285e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.483798039714686 (1.82797e-07% change) linmin: converged after 10 iterations. iteration 48: trace = 4.483798036699413 (6.72482e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.483798033244149 (7.70611e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.483798027631968 (1.25166e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 4.48379802531334 (5.17112e-08% change) linmin: converged after 20 iterations. iteration 52: trace = 4.483798024489694 (1.83694e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.483798024240027 (5.5682e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.483798024202096 (8.45947e-10% change) linmin: converged after 12 iterations. iteration 55: trace = 4.4837980241927 (2.09555e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.483798024185351 (1.63916e-10% change) large trace change predicted (3.44422e-10%) linmin: converged after 3 iterations. iteration 57: trace = 4.483798024169907 (3.44432e-10% change) linmin: converged after 2 iterations. iteration 58: trace = 4.483798024159173 (2.39407e-10% change) linmin: converged after 6 iterations. iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.430591344833374 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889757 at Vector3<0.0, 0.0, 0.0> to 0.720091820456399 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480827 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005068 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526799 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822734 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330749 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981636 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% total elapsed time for run: 2.065129280090332 done /tmp/meepFBAM2J/test_sq_rods-0: 7.91s /tmp/meepFBAM2J/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.004653215408325195 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390217933 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031214 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897934786 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907767 (6.90243% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2726168891851904 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210206 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716452751 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472876 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135484 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972941 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755898 (0.046255% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2687078756607252 (0.014923% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2686863756603578 (0.00800157% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2686684185721623 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148080031 (0.00424464% change) linmin: converged after 17 iterations. iteration 16: trace = 0.268652805217613 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505034628 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755889 (0.000193421% change) linmin: converged after 6 iterations. iteration 19: trace = 0.2686501381175699 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710278 (0.000107667% change) linmin: converged after 10 iterations. iteration 21: trace = 0.2686495704063583 (0.000103653% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2686494341954686 (5.07021e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830081793 (1.90536e-05% change) linmin: converged after 8 iterations. iteration 24: trace = 0.2686493569011658 (9.71788e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 0.2686493401670464 (6.22898e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250441 (5.26411e-06% change) linmin: converged after 14 iterations. iteration 27: trace = 0.2686493177550091 (3.07838e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 0.2686493141307851 (1.34905e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2686493133317617 (2.97422e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2686493131406507 (7.11377e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 0.2686493130940811 (1.73347e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 0.2686493130827958 (4.20076e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763734 (2.39063e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130709365 (2.02376e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.2686493130667552 (1.55642e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2686493130652058 (5.76726e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.2686493130645825 (2.32046e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.2686493130639919 (2.19814e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635764 (1.54684e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631483 (1.59333e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.7212982177734375 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131378938 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019352 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640543 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602481 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521678972 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178495 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319422 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.606940339078468 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212686 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656933 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060074 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452269 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828906 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207727 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585751 (2.20243e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 0.6068839789046578 (1.03733e-05% change) linmin: converged after 19 iterations. iteration 17: trace = 0.6068839547900545 (3.97351e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 0.606883945245713 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137261 (4.83122e-07% change) linmin: converged after 20 iterations. iteration 20: trace = 0.6068839407794877 (2.52806e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027495 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340793 (6.07481e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282135 (1.74442e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969785 (5.14679e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.6068839394888982 (1.33144e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859072 (4.92836e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.6068839394838377 (3.41015e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 0.6068839394826209 (2.005e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.6068839394820108 (1.00525e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.2156062126159668 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 21 iterations. iteration 1: trace = 1.264470565178877 (5.39004% change) linmin: converged after 7 iterations. iteration 2: trace = 1.235883601252425 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577504285 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286461312 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361840383 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357026515 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436585433 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468525546 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294329952 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238046542 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296099763 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466956222 (0.00611277% change) linmin: converged after 4 iterations. iteration 13: trace = 1.20771981883369 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829505016 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669037 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394522 (0.000124391% change) linmin: converged after 3 iterations. iteration 17: trace = 1.20770478657245 (3.83224e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.207704628833406 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628058 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.20770453578298 (2.55403e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.20770451896597 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350381 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33351e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.207704491987183 (4.55946e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731018 (2.69616e-07% change) linmin: converged after 28 iterations. iteration 26: trace = 1.207704487630348 (9.11373e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187941 (3.66321e-08% change) linmin: converged after 22 iterations. iteration 28: trace = 1.207704487019389 (1.39564e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 1.207704486953286 (5.4734e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.207704486927153 (2.16387e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.207704486920015 (5.91099e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917501 (2.08107e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.6041355133056641 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.937534840488701 (4.15315% change) linmin: converged after 9 iterations. iteration 2: trace = 1.902810987196174 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.892740288337234 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677874298 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637823674 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862615 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.88374243132957 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285428812 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588672 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159753 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357727 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103126 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261362 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.88319388727241 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554692 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574134 (1.55045e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.883192794589782 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.88319275915188 (1.8818e-06% change) linmin: converged after 18 iterations. iteration 19: trace = 1.88319274804275 (5.89909e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 1.883192744742946 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542449 (6.3748e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093152 (2.38583e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851258 (3.18212e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827557 (1.25856e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.883192742817959 (5.09625e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 1.8831927428148 (1.67784e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.3038296699523926 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 8 iterations. iteration 1: trace = 2.691331240744543 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720196588 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792282935 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156456098 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929163081 (0.618196% change) linmin: converged after 6 iterations. iteration 6: trace = 2.625855470408069 (0.538767% change) linmin: converged after 7 iterations. iteration 7: trace = 2.618595095218605 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.61486394842613 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559982935209 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632655308 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668710099 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524589415 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071025088 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149644 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488467 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153520022 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282875 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130106353 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970478 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033706994 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019423 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624403 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.60411450033653 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417369 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544148 (7.768e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 2.604108092320789 (5.12737e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 2.604107084206202 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.604106651525088 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464837 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639458 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.60410613975316 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195845 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604111 (1.86597e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 2.604105990411353 (1.35143e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 2.604105970704682 (7.56754e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023471 (3.33366e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.6041059578616 (1.5982e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505164 (9.04892e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483296 (7.76415e-08% change) linmin: converged after 13 iterations. iteration 40: trace = 2.604105952144361 (5.14163e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 2.604105951136476 (3.87037e-08% change) linmin: converged after 19 iterations. iteration 42: trace = 2.604105950573165 (2.16316e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 2.604105950242607 (1.26937e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 2.604105950072069 (6.54884e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 2.60410594997155 (3.86001e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909488 (2.38325e-09% change) linmin: converged after 5 iterations. iteration 47: trace = 2.60410594987232 (1.42727e-09% change) linmin: converged after 7 iterations. iteration 48: trace = 2.604105949849335 (8.82651e-10% change) linmin: converged after 10 iterations. iteration 49: trace = 2.604105949833428 (6.10837e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821816 (4.4593e-10% change) linmin: converged after 13 iterations. iteration 51: trace = 2.604105949814572 (2.78175e-10% change) linmin: converged after 15 iterations. iteration 52: trace = 2.604105949811256 (1.27304e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.3791208267211914 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069799636 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355655957 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549844526 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698874345 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158375775 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784713104 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703718 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.17134496696653 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607468 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397914 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524595 (0.000760798% change) linmin: converged after 3 iterations. iteration 12: trace = 3.170977067782426 (0.000242409% change) linmin: converged after 4 iterations. iteration 13: trace = 3.170972828710278 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290356 (4.99664e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 3.170970553226566 (2.17934e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 3.170970265011879 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164110032 (3.18205e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317424 (1.34951e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 3.170970104220449 (5.39172e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225263 (3.15209e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061036 (1.94396e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145857 (9.19334e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948763 (3.77517e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31005e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 3.170970083397897 (4.27167e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 3.17097008335296 (1.41712e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 3.17097008333502 (5.65753e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 3.170970083326961 (2.54174e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.2384049892425537 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766635764 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297972006 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008004307 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047493 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312591 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.66638081693654 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636337 (0.00444774% change) linmin: converged after 5 iterations. iteration 8: trace = 3.666150582978095 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642377 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925772 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.666116142667214 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266006 (1.81228e-05% change) linmin: converged after 18 iterations. iteration 13: trace = 3.66611525803746 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.66611519051509 (1.8418e-06% change) linmin: converged after 15 iterations. iteration 15: trace = 3.666115174200301 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279941 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850357 (3.89945e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 3.666115167237356 (1.67207e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 3.666115166888858 (9.50592e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 3.666115166571144 (8.66623e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 4 iterations. iteration 21: trace = 3.666115165884804 (1.87212e-08% change) large trace change predicted (4.39602e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.66611516427318 (4.396e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161715032 (6.97782e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.66611515930568 (6.57195e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 3.666115157581619 (4.70269e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.66611515637112 (3.30186e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 3.666115155743588 (1.71171e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 3.666115155488844 (6.94863e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416274 (1.97947e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 3.66611515539475 (5.8711e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388822 (1.61689e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.3878800868988037 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358292035 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438932 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16577641413557 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.164897072709951 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358474 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568772 (0.00460398% change) linmin: converged after 4 iterations. iteration 7: trace = 4.164369177257903 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357556 (0.00059159% change) linmin: converged after 4 iterations. iteration 9: trace = 4.164337522751026 (0.000168541% change) linmin: converged after 5 iterations. iteration 10: trace = 4.164335843810516 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889441 (1.2269e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.164335230990685 (2.44694e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.16433520253919 (6.83218e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 4.16433518775648 (3.54984e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 4.164335171932652 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.16433512934348 (1.02271e-06% change) large trace change predicted (8.89366e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759041199 (8.89223e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 18: trace = 4.163167577853347 (0.028032% change) linmin: converged after 6 iterations. iteration 19: trace = 4.163166867716649 (1.70576e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 4.163166155173582 (1.71154e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165440428856 (1.71683e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.163164723697292 (1.7216e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.16316400516715 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163285001877 (1.72985e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.163162563341739 (1.73344e-05% change) linmin: converged after 9 iterations. iteration 26: trace = 4.163161840305374 (1.73675e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161115991569 (1.73982e-05% change) linmin: converged after 20 iterations. iteration 28: trace = 4.163160390480732 (1.74269e-05% change) linmin: converged after 8 iterations. iteration 29: trace = 4.163159663823327 (1.74545e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.163158936093581 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158207312479 (1.75055e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157477501239 (1.75302e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.1631567466695 (1.75547e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.163156014816309 (1.75793e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.163155281924494 (1.76042e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.163154547988507 (1.76293e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 4.163153812969774 (1.76553e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.163153076844683 (1.76819e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.163152339568214 (1.77096e-05% change) linmin: converged after 10 iterations. iteration 40: trace = 4.163151601094802 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150861366489 (1.77685e-05% change) linmin: converged after 18 iterations. iteration 42: trace = 4.163150120337079 (1.77997e-05% change) linmin: converged after 9 iterations. iteration 43: trace = 4.163149377947414 (1.78324e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.163148634138187 (1.78665e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 4.163147888839058 (1.79023e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 4.163147141981497 (1.79397e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.163146393494435 (1.79789e-05% change) linmin: converged after 16 iterations. iteration 48: trace = 4.163145643304694 (1.80198e-05% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 79.5112%) iteration 49: trace = 4.163144891337117 (1.80625e-05% change) iteration 50: trace = 4.163144137514863 (1.8107e-05% change) iteration 51: trace = 4.163143381941426 (1.81491e-05% change) iteration 52: trace = 4.163142623825554 (1.82102e-05% change) iteration 53: trace = 4.163141863091526 (1.82731e-05% change) iteration 54: trace = 4.163141099662234 (1.83378e-05% change) iteration 55: trace = 4.163140333459408 (1.84044e-05% change) iteration 56: trace = 4.163139564403941 (1.8473e-05% change) iteration 57: trace = 4.163138792415885 (1.85434e-05% change) iteration 58: trace = 4.163138017414674 (1.86158e-05% change) iteration 59: trace = 4.163137239319036 (1.86901e-05% change) iteration 60: trace = 4.163136458047249 (1.87664e-05% change) iteration 61: trace = 4.16313567351715 (1.88447e-05% change) iteration 62: trace = 4.163134885646228 (1.89249e-05% change) iteration 63: trace = 4.163134094351706 (1.90072e-05% change) iteration 64: trace = 4.163133299550624 (1.90914e-05% change) iteration 65: trace = 4.163132501159859 (1.91776e-05% change) iteration 66: trace = 4.16313169909625 (1.92659e-05% change) iteration 67: trace = 4.163130893276701 (1.93561e-05% change) iteration 68: trace = 4.163130083618064 (1.94483e-05% change) iteration 69: trace = 4.163129270037484 (1.95425e-05% change) resetting CG direction... switching back to exact line minimization large trace change predicted (0.200612%) linmin: converged after 3 iterations. iteration 70: trace = 4.154754658417025 (0.201364% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151731269604584 (0.0727959% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150328240387421 (0.0337995% change) linmin: converged after 3 iterations. iteration 73: trace = 4.14956486373791 (0.0183949% change) linmin: converged after 4 iterations. iteration 74: trace = 4.149045718210945 (0.0125116% change) linmin: converged after 5 iterations. iteration 75: trace = 4.148541212773002 (0.0121603% change) linmin: converged after 3 iterations. iteration 76: trace = 4.147913444774686 (0.0151334% change) linmin: converged after 4 iterations. iteration 77: trace = 4.146963677401492 (0.0229001% change) linmin: converged after 4 iterations. iteration 78: trace = 4.14541984175998 (0.037235% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768480251383 (0.0398437% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813635908667 (0.0230456% change) linmin: converged after 3 iterations. iteration 81: trace = 4.142427722036522 (0.00931569% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309329185445 (0.0028581% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270293234598 (0.000942376% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259229660712 (0.00026709% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254099857186 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.14225182676353 (5.48758e-05% change) linmin: converged after 4 iterations. iteration 87: trace = 4.142250855730689 (2.34422e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250459356503 (9.56905e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 4.142250017004796 (1.0679e-05% change) linmin: converged after 6 iterations. iteration 90: trace = 4.142249200470664 (1.97123e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059937437 (2.75342e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.142246315297768 (4.21182e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 4.142245417605519 (2.16716e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 4.142245181167817 (5.70796e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107972046 (1.76706e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088107263 (4.79566e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.1422450768963 (2.70649e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071671102 (1.26144e-07% change) linmin: converged after 4 iterations. iteration 99: trace = 4.142245069757145 (4.62058e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069001788 (1.82354e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068688526 (7.56262e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.1422450684276 (6.29913e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.142245068026302 (9.68795e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067242191 (1.89296e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287717 (2.30424e-08% change) linmin: converged after 19 iterations. iteration 106: trace = 4.142245065572606 (1.72639e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.14224506525974 (7.55306e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.142245065162634 (2.34427e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 4.142245065142538 (4.85167e-10% change) linmin: converged after 2 iterations. iteration 110: trace = 4.142245065136626 (1.42718e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 4.142245065134211 (5.83007e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 1.0437777042388916 zparity:, 8, 0.9982486290502234, -0.9895791223067464, -0.9942480254111825, -0.9858374395420105 yparity:, 8, -0.9998633636229571, 1.0000002772664356, -1.00000949461967, -0.9998446078239382 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874785 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826571 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438777 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658710963539824 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855414 (0.000513549% change) linmin: converged after 5 iterations. iteration 6: trace = 4.658683256679787 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128439 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170738 (3.60526e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.658682176904258 (1.03605e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.658682160894769 (3.43648e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157650999 (6.96285e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.658682156823346 (1.77658e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.65868215662481 (4.26164e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534671 (1.93485e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472839 (1.32725e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.658682156406841 (1.41666e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 4.658682156300639 (2.27966e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170642 (2.79041e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 4.658682156060237 (2.3699e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 4.658682156004982 (2.56768e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 4.658682156001957 (6.49354e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.12503480911254883 zparity:, 9, 0.9987530861905011, -0.9924225574132043, -0.9954159207906835, -0.9908510257229064 yparity:, 9, -0.9998459146893178, 1.0000015100368072, -1.0000160082783154, -0.99984096711267 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684273 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996151 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030682 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241142 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252774 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954247 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.22582213202447 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941997 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503548 (7.16413e-07% change) linmin: converged after 6 iterations. iteration 10: trace = 5.225821946532255 (2.67351e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 5.225821943078978 (6.6081e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.22582194212544 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909174 (4.1384e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.225821941839992 (1.32387e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 5.225821941820718 (3.68812e-10% change) linmin: converged after 9 iterations. iteration 16: trace = 5.225821941816024 (8.98236e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.13878321647644043 zparity:, 10, 0.9990584518844128, -0.9941385054596761, -0.9961444762112307, -0.9934909746544959 yparity:, 10, -0.9998332718977193, 1.0000025246212403, -1.000023092333591, -0.9998348121388908 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654954 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596228 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013054 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146362 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.84497398445039 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658918 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856538 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036916 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184177 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460047 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54757e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596865 (1.77272e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 5.844970311355162 (4.13522e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 5.844970311278128 (1.31796e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.844970311258019 (3.44028e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253997 (6.88209e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.19103789329528809 zparity:, 11, 0.9992573509363801, -0.9952507980579969, -0.9966396089669386, -0.9950905165813094 yparity:, 11, -0.9998264814151204, 1.0000033584035082, -1.0000301573652741, -0.9998331550674879 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106422 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904508 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.351049775820151 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 4.356157064437866 done /tmp/meepFBAM2J/test_strip-0: 4.36s /tmp/meepFBAM2J/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0025124549865722656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2118213176727295 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8179986476898193 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.18744277954101562 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1491684913635254 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.20983123779296875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3694949150085449 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.20992422103881836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.18007588386535645 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1480851173400879 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.9407069683074951 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19335079193115234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.29945969581604004 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.2807784080505371 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.18287348747253418 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2438652515411377 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7486963272094727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 5.378259658813477 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepFBAM2J/test_subpixel_averaging-0-epsilon.h5... /tmp/meepFBAM2J/test_subpixel_averaging-0: 5.40s /tmp/meepFBAM2J/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.08370161056518555 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579247 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233743 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397523720697594 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543338 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370426 (3.67554% change) linmin: converged after 8 iterations. iteration 6: trace = 2.048480958527553 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743746898 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675579469 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177313777 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.04046661825746 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065978462 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.04035411128717 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825733 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970399 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622544 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340868 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845975 (4.68035e-06% change) linmin: converged after 16 iterations. iteration 18: trace = 2.040335672642782 (1.8724e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 2.040335654413311 (8.93455e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 2.040335648243751 (3.0238e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040335646291804 (9.56679e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.040335645616527 (3.30964e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 2.040335645457562 (7.79111e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040335645416267 (2.02393e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.04033564540416 (5.93393e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.040335645401662 (1.22453e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.04033564540094 (3.53907e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 5.6888322830200195 total elapsed time for run: 5.772698402404785 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.15587925910949707 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965929 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771011 (22.0544% change) linmin: converged after 7 iterations. iteration 4: trace = 2.981724017015067 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662621 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471263 (4.77209% change) linmin: converged after 5 iterations. iteration 7: trace = 2.552598023165622 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499992242115593 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.481050506315762 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473183610582626 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990919 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895059 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620014 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373043 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297645 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 2.47008672638708 (4.93464e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470086678531696 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747163 (1.28678e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 2.470086621328254 (1.02907e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 2.470086599230556 (8.94612e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12577e-07% change) linmin: converged after 7 iterations. iteration 23: trace = 2.470086560435123 (7.58034e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 2.470086542626183 (7.20984e-07% change) linmin: converged after 5 iterations. iteration 25: trace = 2.470086525398654 (6.97446e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.470086508443809 (6.86407e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 2.470086491432143 (6.88707e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 2.47008647397101 (7.06904e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 2.470086455551511 (7.45703e-07% change) linmin: converged after 5 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470086412632984 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334097 (1.10518e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.47008635057863 (1.40705e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 2.470086303711516 (1.89739e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 2.470086256803579 (1.89904e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 2.470086237769363 (7.70589e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.470086227711356 (4.07193e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.470086220769943 (2.81019e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 2.470086215312814 (2.20929e-07% change) linmin: converged after 5 iterations. iteration 40: trace = 2.47008621070389 (1.8659e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 2.470086206637609 (1.64621e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 2.470086202945004 (1.49493e-07% change) linmin: converged after 6 iterations. iteration 43: trace = 2.470086199523805 (1.38505e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 2.470086196306478 (1.30252e-07% change) linmin: converged after 7 iterations. iteration 45: trace = 2.470086193246965 (1.23863e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 2.47008619031146 (1.18842e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 2.470086187474285 (1.14861e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 2.470086184715303 (1.11696e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 2.470086182017748 (1.09209e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 2.4700861793676 (1.0729e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752158 (1.05885e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 2.470086174160272 (1.04931e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580697 (1.04433e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 2.47008616900311 (1.04352e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 2.470086166416666 (1.04711e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 2.470086163810144 (1.05524e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 2.470086161171722 (1.06815e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488299 (1.08637e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745301 (1.11049e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 2.470086152925971 (1.14139e-07% change) linmin: converged after 9 iterations. iteration 61: trace = 2.470086150010644 (1.18025e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 2.470086146975617 (1.22871e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470086143792007 (1.28887e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 2.470086140422467 (1.36414e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818574 (1.45901e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 2.470086132913965 (1.58076e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 2.470086128613795 (1.7409e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 2.470086123775036 (1.95894e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 2.470086118170339 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08617e-06%) linmin: converged after 6 iterations. iteration 70: trace = 2.4700859924031 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449085 (3.03447e-06% change) linmin: converged after 9 iterations. iteration 72: trace = 2.470085857051608 (2.44516e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 2.470085794433866 (2.53504e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 2.47008568465571 (4.44431e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666271439 (7.44277e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659656401 (2.67806e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 2.470085656851762 (1.13544e-07% change) linmin: converged after 11 iterations. iteration 78: trace = 2.470085655578595 (5.15434e-08% change) linmin: converged after 13 iterations. iteration 79: trace = 2.470085654979452 (2.42559e-08% change) linmin: converged after 8 iterations. iteration 80: trace = 2.470085654691839 (1.16438e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 2.470085654552126 (5.65621e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.470085654484016 (2.75741e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654450713 (1.34822e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.470085654434439 (6.58847e-10% change) linmin: converged after 4 iterations. iteration 85: trace = 2.470085654426459 (3.23059e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 2.470085654422856 (1.45861e-10% change) linmin: converged after 3 iterations. iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 12.821642637252808 total elapsed time for run: 12.977707624435425 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.05382585525512695 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556455 (194.149% change) linmin: converged after 12 iterations. iteration 2: trace = 3.363324203114518 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763886 (19.947% change) linmin: converged after 7 iterations. iteration 4: trace = 2.542376250784825 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306857 (3.2827% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396838326976526 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615576 (2.28738% change) linmin: converged after 5 iterations. iteration 8: trace = 2.31389728125012 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300812929609132 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307679614 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109431983 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222392094 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668029893 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588994 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338955 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.293694194409696 (0.00280739% change) linmin: converged after 11 iterations. iteration 17: trace = 2.293618199025478 (0.00331329% change) linmin: converged after 4 iterations. iteration 18: trace = 2.293528069880244 (0.00392964% change) linmin: converged after 5 iterations. iteration 19: trace = 2.293451007229581 (0.00336006% change) linmin: converged after 6 iterations. iteration 20: trace = 2.29340643253423 (0.00194358% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293384561761906 (0.000953642% change) linmin: converged after 4 iterations. iteration 22: trace = 2.293373743492525 (0.000471717% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474412943 (0.000142545% change) linmin: converged after 4 iterations. iteration 24: trace = 2.293369520041892 (4.16144e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 2.293369112325264 (1.77781e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.293368934280699 (7.76345e-06% change) linmin: converged after 15 iterations. iteration 27: trace = 2.293368844736082 (3.9045e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 2.29336882107163 (1.03186e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820579976 (2.14381e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 2.293368820562555 (7.59613e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 5.146535158157349 total elapsed time for run: 5.200517892837524 done /tmp/meepFBAM2J/test_symmetry_overlap-0: 24.62s /tmp/meepFBAM2J/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0026199817657470703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972896 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652262 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223164 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935823 (1.62145% change) linmin: converged after 6 iterations. iteration 7: trace = 4.525096086376153 (1.06913% change) linmin: converged after 7 iterations. iteration 8: trace = 4.490878663187869 (0.75904% change) linmin: converged after 5 iterations. iteration 9: trace = 4.47197267315708 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096503293 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855008 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636341 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858748 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036779 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637669 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333837 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544555 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036334 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.452989908418395 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844784 (0.00355295% change) linmin: converged after 4 iterations. iteration 22: trace = 4.452615931157512 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453891 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.452296186462635 (0.0033444% change) linmin: converged after 5 iterations. iteration 25: trace = 4.452144807934248 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.452028010938923 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503806 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675585 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809178 (0.000110488% change) linmin: converged after 4 iterations. iteration 30: trace = 4.451951355107944 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388858661 (2.1704e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.451949935124787 (1.01918e-05% change) linmin: converged after 17 iterations. iteration 33: trace = 4.451949721654948 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638044333 (1.87807e-06% change) linmin: converged after 10 iterations. iteration 35: trace = 4.451949603091121 (7.85121e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 4.451949587125339 (3.58624e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 4.451949578414736 (1.95658e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 4.451949573497765 (1.10445e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787226 (6.08843e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 4.451949569043665 (3.9164e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780623 (5.08326e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367886 (9.91192e-08% change) large trace change predicted (2.08751e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074408 (2.08751e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 4.451949540842983 (2.74743e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 4.451949529999652 (2.43564e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238097 (1.51879e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 4.451949519159004 (9.16249e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.451949516240804 (6.55488e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.451949514432186 (4.06253e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681802 (1.68552e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 4.451949513453069 (5.13781e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 4.45194951339295 (1.3504e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373063 (4.46708e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.45194951336368 (2.10775e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.45194951335844 (1.17687e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 4.4519495133559 (5.70579e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.28495264053344727 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467088697 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.47004955757308 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947758968 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.46732914258891 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419394401 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349496484 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292011072 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095566394 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970894671 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380057723 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568828668 (0.0378343% change) linmin: converged after 7 iterations. iteration 12: trace = 4.460811970282606 (0.0458914% change) linmin: converged after 5 iterations. iteration 13: trace = 4.459584283475678 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661361837 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458964421196186 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960311353 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092714899 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032321756 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161063318 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017333146 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.458895960737981 (2.36963e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419236236 (1.21443e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.458895086269089 (7.46748e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672862503 (9.2715e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.458893966773802 (1.58355e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812030476 (2.58975e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509284777 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613134 (2.32271e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.458889874545046 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685373 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435792 (2.1586e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 4.458889488492753 (8.50953e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720157 (3.31307e-07% change) linmin: converged after 20 iterations. iteration 34: trace = 4.458889468163889 (1.24611e-07% change) linmin: converged after 23 iterations. iteration 35: trace = 4.458889466116732 (4.59118e-08% change) linmin: converged after 15 iterations. iteration 36: trace = 4.458889465242262 (1.96118e-08% change) linmin: converged after 19 iterations. iteration 37: trace = 4.458889464752221 (1.09902e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 4.458889464463179 (6.48237e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 4.458889464280353 (4.10026e-09% change) linmin: converged after 9 iterations. iteration 40: trace = 4.458889464100627 (4.03072e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 4.458889463833423 (5.99261e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 4.458889463451229 (8.57152e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 4.458889462992351 (1.02913e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 4.458889462497361 (1.11012e-08% change) linmin: converged after 6 iterations. iteration 45: trace = 4.458889462139589 (8.02378e-09% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458889461932944 (4.63446e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 4.458889461821264 (2.50465e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773404 (1.07337e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.458889461754984 (4.13106e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749089 (1.32204e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 4.458889461747202 (4.23085e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.2926650047302246 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134806156 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356465116 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723193555 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957766 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223098 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539142 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618848 (0.0027408% change) linmin: converged after 5 iterations. iteration 8: trace = 4.481900761942839 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982582 (0.00181164% change) linmin: converged after 7 iterations. iteration 10: trace = 4.481727172834765 (0.00206155% change) linmin: converged after 4 iterations. iteration 11: trace = 4.481640274020339 (0.00193898% change) linmin: converged after 5 iterations. iteration 12: trace = 4.481586984826237 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482778 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049644 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259473 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617264 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.48155467543528 (1.8561e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.481554649662217 (5.75092e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.481554642967501 (1.49384e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.481554640848132 (4.72909e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.48155464016311 (1.52854e-08% change) linmin: converged after 14 iterations. iteration 23: trace = 4.48155463985519 (6.87083e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.48155463968686 (3.75607e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.481554639614043 (1.62482e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.481554639589961 (5.3736e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 4.481554639582895 (1.57656e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580309 (5.77116e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.22773528099060059 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.543019728981141 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824073 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322886904 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374218 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372581488 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483913888 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349621 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839052 (0.000360962% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534250296428466 (0.000134795% change) linmin: converged after 4 iterations. iteration 10: trace = 4.534247094429852 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850399098 (4.94907e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.534242751424718 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054214 (3.40161e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 4.534240295109202 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207022 (9.08426e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.534239659653624 (4.93034e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534239494917881 (3.63315e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.534239415265837 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667364 (7.85104e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.534239370364455 (2.0517e-07% change) linmin: converged after 12 iterations. iteration 21: trace = 4.534239368024675 (5.16025e-08% change) linmin: converged after 8 iterations. iteration 22: trace = 4.534239367497577 (1.16248e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 4.534239367336914 (3.54332e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 4.534239367284076 (1.16532e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.534239367267453 (3.66594e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.53423936726149 (1.31516e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.534239367259119 (5.23006e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.09688377380371094 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.62140499236056 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347471986 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696469292 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813616125 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375084 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207514 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312677 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687505 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209914 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307773 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156617 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851984 (8.68475e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.607274338045175 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828301 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.607273491056451 (4.24919e-06% change) linmin: converged after 27 iterations. iteration 16: trace = 4.607273423326224 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454783 (5.8324e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999416 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222213 (2.33917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.607273363837909 (2.03685e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.607273356409589 (1.6123e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.607273352713706 (8.02185e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035124 (3.64333e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.607273350488977 (1.1854e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.607273350318335 (3.70376e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261741 (1.22836e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.78101e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217992 (3.71463e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.60727335020926 (1.8952e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.607273350205851 (7.3988e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.2724597454071045 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286199994 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559271376 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826102063 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938258768 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777788 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657411795586118 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536611 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992657 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.65514846892051 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042657 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.65466529695931 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969561 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102693 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988872 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756919 (2.36376e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 4.654584007912178 (8.2466e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 4.654583872099873 (2.91782e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003333 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952179 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788808 (3.90225e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229737 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.65458375413065 (8.80656e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195744 (4.15699e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.654583750968559 (2.63651e-08% change) linmin: converged after 23 iterations. iteration 25: trace = 4.654583749955047 (2.17745e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.654583749144852 (1.74064e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 4.654583748504241 (1.3763e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.654583748161549 (7.36245e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.654583748037946 (2.65552e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.654583747984042 (1.15807e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.654583747952655 (6.74332e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 4.654583747932773 (4.27146e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63043e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 4.654583747914254 (1.34832e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.654583747911477 (5.96497e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.12481927871704102 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594805 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794314987 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612483 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655317 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186978972 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112027 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920406 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553676 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529449 (3.44832e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.657802747123332 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154885 (3.5203e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 4.657802512506884 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.657802482770965 (6.38411e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850075 (4.92097e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.657802440944291 (4.05895e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135108 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141324 (2.36029e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226848 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927233 (4.93712e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.65780240438896 (3.30257e-08% change) linmin: converged after 17 iterations. iteration 22: trace = 4.657802403523625 (1.85782e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 4.657802403119733 (8.6713e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 4.657802402939375 (3.87219e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.657802402884992 (1.16755e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.657802402867801 (3.69092e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.657802402862909 (1.0503e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.10038304328918457 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728067781 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935696863 (0.0539828% change) linmin: converged after 6 iterations. iteration 3: trace = 4.668592631124202 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611687 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138847 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918369823 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297308879 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.66710588950992 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686737 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975174 (4.06615e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.667096867241803 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921188 (6.4777e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.667096423536345 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918459 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252444997 (1.91711e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.667096174501559 (1.67006e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228559 (9.91473e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109588011 (3.99404e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.667096103668016 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434464 (4.78574e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.667096100309835 (2.4097e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 4.667096099663391 (1.38511e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 4.667096099284757 (8.11284e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.667096099089912 (4.17487e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.667096099007758 (1.76028e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.667096098964763 (9.21235e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.667096098939575 (5.39709e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919739 (4.25011e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.667096098902278 (3.74123e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892165 (2.16702e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.667096098888666 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.32219767570495605 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.68724409303374 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.684501121648906 (0.058537% change) linmin: converged after 5 iterations. iteration 3: trace = 4.68286993057846 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068317714 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640009308 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106921903 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472565953 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725628 (0.000171497% change) linmin: converged after 5 iterations. iteration 9: trace = 4.681618077223676 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737997818 (2.86061e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.681615858546149 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378741 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362249 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039711974 (3.30335e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.681614869241988 (3.64126e-06% change) linmin: converged after 16 iterations. iteration 16: trace = 4.68161472623034 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 4.681614620951711 (2.01837e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 4.68161461585685 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123162 (7.97521e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813802 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.681614605684866 (1.98441e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.68161460528561 (8.52816e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099326 (3.97905e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.681614605024981 (1.58802e-09% change) linmin: converged after 6 iterations. iteration 28: trace = 4.681614605000403 (5.24983e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.681614604988978 (2.44051e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 4.681614604983466 (1.17738e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.681614604980838 (5.6137e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.2992730140686035 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233681 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398481 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.70107086068539 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701948 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544948 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100516 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.6999786169586 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548884 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.69996900063083 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929755 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319406983 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426728 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699679 (1.78028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 4.69996256078505 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691017 (1.54915e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 4.699961225600784 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583672 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235763 (3.60318e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.699960644725965 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.69996059288988 (1.1029e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 4.699960564066774 (6.13263e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 4.699960551853533 (2.59858e-07% change) linmin: converged after 10 iterations. iteration 23: trace = 4.699960547235491 (9.82571e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971041 (2.69034e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.699960545396203 (1.22307e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 4.699960545062297 (7.10443e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.699960544894044 (3.5799e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.699960544831159 (1.33799e-09% change) linmin: converged after 11 iterations. iteration 29: trace = 4.6999605448051 (5.54455e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792849 (2.60654e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.69996054478645 (1.36157e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.699960544782284 (8.86296e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.11417722702026367 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835507106 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797494394 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191088676 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.72032520151121 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799315 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630348262 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321786709 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657791618 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.719807413356836 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508683381 (0.000358165% change) linmin: converged after 4 iterations. iteration 11: trace = 4.719779814606182 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348474473 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280309288 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 4 iterations. iteration 14: trace = 4.719718876296148 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 5 iterations. iteration 15: trace = 4.719637476239784 (0.0017247% change) linmin: converged after 7 iterations. iteration 16: trace = 4.719538716018542 (0.00209256% change) linmin: converged after 5 iterations. iteration 17: trace = 4.719446199526267 (0.00196031% change) linmin: converged after 4 iterations. iteration 18: trace = 4.719342067175936 (0.00220648% change) linmin: converged after 5 iterations. iteration 19: trace = 4.719250145666872 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779904011 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996965549 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491797681 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509310166 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458937846 (4.34477e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.719165917312573 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.719165107645351 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862214882 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785195874 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.71916476092593 (5.14285e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750431715 (2.22374e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.719164743984006 (1.36628e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 4.71916473800363 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732535607 (1.15868e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729193626 (7.08172e-08% change) linmin: converged after 18 iterations. iteration 35: trace = 4.719164727750008 (3.05905e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 4.719164727251828 (1.05565e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.71916472698585 (5.63611e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 4.719164726837913 (3.13483e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.719164726708856 (2.73474e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.71916472655026 (3.36068e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 4.719164726298359 (5.33782e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 4.7191647258533 (9.43089e-09% change) linmin: converged after 15 iterations. iteration 43: trace = 4.719164725066989 (1.66621e-08% change) linmin: converged after 4 iterations. iteration 44: trace = 4.719164723722607 (2.84877e-08% change) linmin: converged after 19 iterations. iteration 45: trace = 4.719164722419896 (2.76047e-08% change) linmin: converged after 6 iterations. iteration 46: trace = 4.719164721562548 (1.81674e-08% change) linmin: converged after 16 iterations. iteration 47: trace = 4.719164720988488 (1.21644e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.719164720623203 (7.74045e-09% change) linmin: converged after 19 iterations. iteration 49: trace = 4.719164720382039 (5.11032e-09% change) linmin: converged after 15 iterations. iteration 50: trace = 4.719164720281916 (2.12162e-09% change) linmin: converged after 14 iterations. iteration 51: trace = 4.719164720241514 (8.56133e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218772 (1.4044e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.719164720216029 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.5063040256500244 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380121553 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472685538 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041534262 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551867178 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764246738 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.654399336084339 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590782666 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455428814 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231529 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128197 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293227 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342827 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65395753485975 (1.59968e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 4.653957210162049 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852145 (3.96028e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.653956928560638 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769971 (1.13432e-06% change) linmin: converged after 32 iterations. iteration 18: trace = 4.653956841201482 (7.42776e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 4.653956819085463 (4.75209e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.65395680993505 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517475 (7.34337e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.653956805199018 (2.83298e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.653956804663047 (1.15164e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 4.653956804367977 (6.34021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.6539568041892 (3.8414e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.653956804095571 (2.0118e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.653956804061927 (7.22916e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.653956804052049 (2.12256e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.653956804049409 (5.67188e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.10408735275268555 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978573792 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.57524986061685 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615778968 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726264 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753043 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276756 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406289 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078057 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954827 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.565738200055284 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810886 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483533 (3.27061e-06% change) linmin: converged after 14 iterations. iteration 14: trace = 4.565737552537147 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290476 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646699 (7.9807e-08% change) linmin: converged after 20 iterations. iteration 17: trace = 4.565737534603478 (2.28489e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.565737534315073 (6.31672e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.565737534206799 (2.37145e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 4.565737534143935 (1.37687e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.565737534100022 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070944 (6.36876e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 4.565737534052837 (3.96591e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.565737534041937 (2.38729e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.565737534035818 (1.34032e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 4.565737534032805 (6.5985e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.09349775314331055 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892414 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737204 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.49666086179891 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235467 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031072 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640691 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672331 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.49530364914899 (0.000264621% change) linmin: converged after 5 iterations. iteration 9: trace = 4.495300564167793 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871558 (3.8549e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 4.495299593694353 (8.04778e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 4.495299585129779 (1.90523e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 4.495299582963899 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.495299582144044 (1.8238e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 4.495299581549301 (1.32303e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 4.495299580823794 (1.61393e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.495299579922002 (2.00608e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.495299579325446 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.4952995790655 (5.78263e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.495299578960947 (2.32583e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 4.49529957891384 (1.04792e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 4.495299578893932 (4.42854e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 4.495299578886664 (1.61679e-10% change) linmin: converged after 14 iterations. iteration 25: trace = 4.495299578884342 (5.1667e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.08976411819458008 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004791003 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880181 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093519 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439734 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137276 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332465 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597407 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672776 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002984 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667401 (9.49527e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.462570546979999 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814236 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886536 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202181 (6.65185e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.462569970590494 (2.37793e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.462569966989752 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422022 (5.75393e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.462569961021073 (7.62105e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 6 iterations. iteration 19: trace = 4.462569953904014 (1.59483e-07% change) linmin: converged after 9 iterations. iteration 20: trace = 4.46256994368323 (2.29034e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.462569934609512 (2.03329e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.462569927927922 (1.49725e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053909 (8.68113e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.462569921863484 (4.90844e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 4.462569921105946 (1.69754e-08% change) linmin: converged after 5 iterations. iteration 26: trace = 4.462569920846201 (5.82051e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 4.462569920755987 (2.02157e-09% change) linmin: converged after 12 iterations. iteration 28: trace = 4.462569920708031 (1.07463e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.462569920679469 (6.40036e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.462569920665278 (3.17988e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.4625699206614 (8.69157e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.11091160774230957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47865855560369 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616061894 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409071 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144033 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383344 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908738621 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123136 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085369 (0.00257152% change) linmin: converged after 5 iterations. iteration 9: trace = 4.458596309902293 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755438463 (0.000191865% change) linmin: converged after 4 iterations. iteration 11: trace = 4.458585207924791 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490013294 (1.61018e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.458584277334562 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200805784 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120213 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.458584133462059 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789079 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093341 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108088935 (2.24385e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093759725 (3.21385e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 4.45858407013488 (5.29873e-07% change) large trace change predicted (1.49557e-06%) linmin: converged after 14 iterations. iteration 22: trace = 4.458584003453388 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777244318 (5.07356e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 24: trace = 4.458459758086347 (0.00278162% change) linmin: converged after 7 iterations. iteration 25: trace = 4.45845809310336 (3.73444e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.458456431314518 (3.72727e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.458454776753626 (3.71106e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 4.45845312970436 (3.69422e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458451488295024 (3.68157e-05% change) linmin: converged after 8 iterations. iteration 30: trace = 4.458449849512655 (3.67568e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.458448209807987 (3.67775e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.458446565441435 (3.6882e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 4.458444912674558 (3.70705e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443247872638 (3.73404e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 4.458441567558344 (3.76884e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.458439868437202 (3.81102e-05% change) linmin: converged after 8 iterations. iteration 37: trace = 4.458438147422839 (3.86013e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.458436401632463 (3.9157e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.458434628420673 (3.97721e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432825371669 (4.04413e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.458430990336213 (4.11588e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.458429121450739 (4.1918e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.458427217170018 (4.27119e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.45842527627803 (4.35331e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.458423297979061 (4.43722e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 4.45842128183593 (4.5221e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419227918975 (4.60683e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.458417136764045 (4.69035e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.458415009413182 (4.77154e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458412847426382 (4.84923e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.458410652879671 (4.92226e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.45840842834688 (4.98952e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.458406176863647 (5.04997e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.458403901873035 (5.1027e-05% change) linmin: converged after 18 iterations. iteration 55: trace = 4.45840160715417 (5.14695e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.45839929679653 (5.18203e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 4.45839697486293 (5.208e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 4.458394645649191 (5.22433e-05% change) linmin: converged after 12 iterations. iteration 59: trace = 4.458392313342166 (5.23127e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389981994917 (5.22912e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387655402004 (5.21846e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 4.458385337090715 (5.19989e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383030228237 (5.17421e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 4.458380737597496 (5.14229e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378461580468 (5.10503e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376204157597 (5.06333e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 4.458373966983598 (5.01791e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.45837175115985 (4.97003e-05% change) linmin: converged after 13 iterations. iteration 69: trace = 4.458369557643537 (4.92e-05% change) resetting CG direction... large trace change predicted (0.0705974%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218396810412 (0.0707047% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076270045077 (0.025639% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233400311123 (0.0189253% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750387012768 (0.0108469% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486228782018 (0.00593265% change) linmin: converged after 3 iterations. iteration 75: trace = 4.452381361974496 (0.00235527% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332149411394 (0.00110531% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312688637566 (0.000437093% change) linmin: converged after 3 iterations. iteration 78: trace = 4.45230071607409 (0.000268907% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288399612123 (0.000276632% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272809489926 (0.00035016% change) linmin: converged after 5 iterations. iteration 81: trace = 4.452249236224402 (0.000529467% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204263419688 (0.00101012% change) linmin: converged after 5 iterations. iteration 83: trace = 4.452119848004346 (0.00189605% change) linmin: converged after 23 iterations. iteration 84: trace = 4.452030544098405 (0.00200589% change) linmin: converged after 4 iterations. iteration 85: trace = 4.451975523041291 (0.00123587% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336662034 (0.000430964% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182938001 (0.000115763% change) linmin: converged after 5 iterations. iteration 88: trace = 4.451949926952263 (2.8212e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633719559 (6.58661e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555041382 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527225949 (6.24792e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 4.451949519990793 (1.62517e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 4.45194951832263 (3.74704e-08% change) linmin: converged after 23 iterations. iteration 94: trace = 4.451949517532587 (1.7746e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951702074 (1.14972e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 4.451949516566152 (1.0211e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516312337 (5.70122e-09% change) linmin: converged after 18 iterations. iteration 98: trace = 4.45194951618685 (2.8187e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516112386 (1.67262e-09% change) large trace change predicted (3.4224e-09%) linmin: converged after 4 iterations. iteration 100: trace = 4.451949515960023 (3.42238e-09% change) linmin: converged after 2 iterations. iteration 101: trace = 4.451949515673266 (6.44116e-09% change) linmin: converged after 8 iterations. iteration 102: trace = 4.451949515254093 (9.4155e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.451949514776699 (1.07233e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168536 (1.36606e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.45194951364144 (1.18397e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.451949513445264 (4.40653e-09% change) linmin: converged after 2 iterations. iteration 107: trace = 4.451949513374775 (1.58334e-09% change) linmin: converged after 7 iterations. iteration 108: trace = 4.451949513356686 (4.06308e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 4.451949513352735 (8.8739e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.2973320484161377 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% total elapsed time for run: 3.341460704803467 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0026094913482666016 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498552 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776485 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544305 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741098 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.86286374516217 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173163 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422817 (0.00113437% change) linmin: converged after 8 iterations. iteration 11: trace = 2.862646034309387 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116844171 (0.00272191% change) linmin: converged after 11 iterations. iteration 13: trace = 2.862522529156126 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.86250702305457 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862497024431528 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372896 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834261 (3.77133e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726045403 (4.88347e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.86249070824902 (6.2171e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490703921658 (1.51175e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442762 (1.21534e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490696942832 (1.22269e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617096 (8.12487e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490692196376 (8.45669e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490689635972 (8.94467e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 2.86249068881215 (2.87799e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 2.862490688657743 (5.39412e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 2.86249068863399 (8.29833e-10% change) linmin: converged after 23 iterations. iteration 29: trace = 2.862490688625448 (2.98382e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.862490688620295 (1.80025e-10% change) linmin: converged after 16 iterations. iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.08631253242492676 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.8592665337501 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885410416 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720083909 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000263371 (0.0333328% change) linmin: converged after 4 iterations. iteration 5: trace = 2.836186496136361 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889968089 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.835329250902228 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260285 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412855 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980058 (4.44197e-05% change) linmin: converged after 22 iterations. iteration 11: trace = 2.83530137235452 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.83530133647686 (1.26539e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 2.835301332836324 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052827 (6.29032e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 2.835301329637789 (4.99079e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 2.835301328974367 (2.33986e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 2.835301328638412 (1.1849e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 2.835301328502628 (4.78904e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 2.835301328480652 (7.75092e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.07315230369567871 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.80104758343635 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378334312 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200921 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181834 (0.00566543% change) linmin: converged after 5 iterations. iteration 5: trace = 2.795670517948642 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105494 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060606 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521852 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408575 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968438 (2.66134e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.795630871760076 (4.32232e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631213 (4.60942e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.795630871612962 (6.52847e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.795630871602818 (3.62848e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598377 (1.58883e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.05844879150390625 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.774998560215873 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227243 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795790379 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908647 (0.0039227% change) linmin: converged after 6 iterations. iteration 5: trace = 2.771573339861071 (0.00107274% change) linmin: converged after 5 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 3 iterations. iteration 7: trace = 2.771565848864934 (7.31123e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.771565436133741 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911645 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637119 (1.18147e-07% change) linmin: converged after 12 iterations. iteration 11: trace = 2.771565390406326 (8.32718e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.771565390385134 (7.6462e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.77156539038211 (1.09117e-10% change) linmin: converged after 12 iterations. iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.19239497184753418 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897694166 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676430948 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76499079933343 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212312 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243694 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702719 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.76461744645962 (2.84757e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.764617148488825 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736613 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306761 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65715e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69242e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.047783851623535156 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 4 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 7 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 16 iterations. iteration 8: trace = 2.765514678058571 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876088 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313922 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43614e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 2.765514654454888 (6.70095e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765514654390361 (2.33326e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376135 (5.14405e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.05487060546875 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192894 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309126988 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 6 iterations. iteration 4: trace = 2.765669394833951 (0.00215489% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765658289765338 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76565667410184 (5.84188e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765656191162028 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.76565610867967 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612788 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432823 (4.01167e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370316 (2.26009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765656097345329 (9.03479e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.05135703086853027 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313225 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766538782497219 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 6 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889405 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279492 (2.41324e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.766440405119587 (3.00603e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.766440395785975 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560161 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54314e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061448 (2.59581e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.766440393054012 (2.68803e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.05502939224243164 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893329 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.769310080424471 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 5 iterations. iteration 4: trace = 2.768934648753338 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394422 (0.00089119% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76890656309235 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159754 (1.65023e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550865 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.768905997652202 (3.68956e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400175 (4.52174e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267477 (4.79246e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251333 (5.83029e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.05511665344238281 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451391057 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098715778 (0.0384934% change) linmin: converged after 4 iterations. iteration 3: trace = 2.774640612551229 (0.00873899% change) linmin: converged after 7 iterations. iteration 4: trace = 2.774560995069022 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77453459325651 (0.000951572% change) linmin: converged after 4 iterations. iteration 6: trace = 2.774531225310032 (0.000121388% change) linmin: converged after 4 iterations. iteration 7: trace = 2.774530700766645 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359497456 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863122988 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 2.774529531015569 (1.06251e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 2.774529530846424 (6.09634e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97037e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826869 (1.07768e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.058333635330200195 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010559785 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864090243 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622950957 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529274127 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018962653 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.784775033133963 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.78476738704222 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863706734 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 5 iterations. iteration 9: trace = 2.784576806706474 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.78443456658295 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945208 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152168 (7.1462e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729957 (7.48534e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 2.784404151061408 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391646 (2.75454e-07% change) linmin: converged after 19 iterations. iteration 16: trace = 2.784404142114114 (4.58817e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807705 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512633 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 3 iterations. iteration 19: trace = 2.784404140423731 (3.91072e-08% change) linmin: converged after 29 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 28 iterations. iteration 22: trace = 2.784404132526767 (1.12989e-07% change) linmin: converged after 26 iterations. iteration 23: trace = 2.784404131138652 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765977 (1.33844e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704079 (2.22301e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699127 (1.77849e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.14429354667663574 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.772753997213508 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731172 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048711009 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316778 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.76627831243169 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766276055716656 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375524 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025947 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526928 (9.03388e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766275694283745 (8.791e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 2.766275694243466 (1.45605e-09% change) linmin: converged after 7 iterations. iteration 12: trace = 2.766275694206311 (1.34313e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188478 (6.44668e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766275694185664 (1.01732e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.055150508880615234 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.771492865813062 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222254 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016951 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.765768964129088 (0.000556581% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476076 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509604 (1.26426e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765766575906304 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033982 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.76576657497265 (2.21753e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968935 (1.3433e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.19083929061889648 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.791470836862437 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099793 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033089986 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715415 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429705 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414128 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368144 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 2.786825446011257 (2.92234e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 2.786825446005847 (1.9414e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.048459529876708984 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.83493324550536 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065325 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628173 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307016 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 6 iterations. iteration 6: trace = 2.829305726218515 (0.0013011% change) linmin: converged after 5 iterations. iteration 7: trace = 2.829276325559039 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342493 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813156 (2.19325e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.829270284334416 (1.81951e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 2.829270280435292 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036013 (1.41124e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 2.829270279947552 (3.12666e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913445 (1.2055e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 2.829270279899193 (5.03724e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.829270279889811 (3.31599e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885796 (1.4191e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.0676875114440918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.88614168583594 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321681 (0.411006% change) linmin: converged after 8 iterations. iteration 3: trace = 2.867461048283277 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339330284 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526576075 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260461168 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.86298756916355 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.86277099830971 (0.00756479% change) linmin: converged after 5 iterations. iteration 9: trace = 2.862591893260045 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772323387 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519860812 (0.00130139% change) linmin: converged after 6 iterations. iteration 12: trace = 2.862492614383973 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238294 (5.19528e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 2.862490902676301 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354834 (1.8977e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 2.862490815153661 (1.15987e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 2.862490774134767 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516321 (9.29905e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725345 (7.26325e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490701040766 (8.97281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.862490690405861 (3.71526e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920468 (5.18916e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724709 (6.83876e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 2.862490688677528 (1.64826e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.862490688650878 (9.31e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688640401 (3.66024e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 2.862490688636764 (1.2706e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 2.862490688630895 (2.05019e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 2.862490688622824 (2.81968e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 2.862490688619479 (1.16868e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.27460145950317383 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826863 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268188 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372994 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715007 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.692014574213478 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393071 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594095 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823448 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378436), 0.02272961238288739% Gap from band 2 (0.3985126081046681) to band 3 (0.4390817228448607), 9.68705571208962% Gap from band 3 (0.49288810189980536) to band 4 (0.4933684778826863), 0.09741399808696079% Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% total elapsed time for run: 1.517915964126587 done /tmp/meepFBAM2J/test_tri_holes-0: 4.86s /tmp/meepFBAM2J/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018525123596191406 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06749916076660156 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06551933288574219 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.059893131256103516 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.20642614364624023 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.25809407234191895 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.04788017272949219 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04513883590698242 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04439949989318848 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.037358760833740234 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.12113690376281738 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.033856868743896484 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.041033267974853516 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.10281491279602051 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.04856586456298828 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.062056779861450195 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.4000577926635742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.7075068950653076 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019404888153076172 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168521 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233162 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283957 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309321 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004704995 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953052988 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911362792 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952679834 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566119 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085007066 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845126679 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896341 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733837875 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657411 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189158 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.207458642124069 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.20649696589854 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793259 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735027 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041645 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474106 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318169 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163239 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945468 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725798 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520901 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519168 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714793 (4.05264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205341359594264 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.205340285757587 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.205339401862772 (1.42441e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.205338538782246 (1.39087e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 6.205338005697968 (8.59074e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.20533779281334 (3.43067e-06% change) linmin: converged after 14 iterations. iteration 36: trace = 6.205337727927921 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700665202 (4.39343e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076977 (2.99552e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 6.205337670235849 (1.90822e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.20533766360399 (1.06873e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.205337659445417 (6.7016e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656271132 (5.11541e-08% change) linmin: converged after 4 iterations. iteration 43: trace = 6.205337653590746 (4.31948e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674759 (3.08764e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 6.205337650112281 (2.51796e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.205337648922284 (1.9177e-08% change) linmin: converged after 9 iterations. iteration 47: trace = 6.205337648157436 (1.23256e-08% change) linmin: converged after 18 iterations. iteration 48: trace = 6.20533764764661 (8.23204e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357124 (4.66512e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 6.20533764722022 (2.20623e-09% change) linmin: converged after 13 iterations. iteration 51: trace = 6.205337647170952 (7.9395e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 6.20533764715244 (2.98329e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143449 (1.44892e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136523 (1.11614e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.205337647130181 (1.0221e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.30965113639831543 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024412352 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659804193 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131797574 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705631005 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542372 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874141 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858596 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.070592820913717 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682351 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703737 (0.000472136% change) linmin: converged after 3 iterations. iteration 11: trace = 6.070466776951315 (0.000154811% change) linmin: converged after 3 iterations. iteration 12: trace = 6.070462362656822 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493464 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551033 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420175 (2.06131e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.070460137715081 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900742 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276799 (2.2443e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.07046007986356 (1.15842e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.070460075401997 (7.34963e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.070460072809237 (4.27111e-08% change) linmin: converged after 10 iterations. iteration 23: trace = 6.070460071630654 (1.94151e-08% change) linmin: converged after 23 iterations. iteration 24: trace = 6.070460071141095 (8.0646e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 6.070460070886772 (4.18953e-09% change) linmin: converged after 18 iterations. iteration 26: trace = 6.070460070770764 (1.91102e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 6.070460070719212 (8.49236e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 6.070460070698456 (3.41915e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 6.070460070686254 (2.01003e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.070460070677973 (1.36406e-10% change) linmin: converged after 20 iterations. iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.11714458465576172 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450099651 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164987615 (0.262374% change) linmin: converged after 4 iterations. iteration 3: trace = 5.859434248089517 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394584574 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107094 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447409 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142514 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979383 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313636 (0.000174901% change) linmin: converged after 6 iterations. iteration 10: trace = 5.85624293285546 (8.3184e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.856240727525813 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988355 (2.76208e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.856238145767135 (1.64649e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 5.856237866910497 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777123892 (1.53318e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 5.856237751867796 (4.31268e-07% change) linmin: converged after 10 iterations. iteration 17: trace = 5.856237743987695 (1.34559e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787464 (5.46465e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.85623773908993 (2.89868e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 5.856237737682886 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546369 (1.9407e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790062 (1.29146e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.856237735217729 (9.77305e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.8562377349484 (4.599e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.856237734795146 (2.61694e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.856237734734316 (1.03871e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.8562377347143 (3.41789e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707861 (1.09956e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.3233768939971924 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296896508 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917668216 (0.11105% change) linmin: converged after 4 iterations. iteration 3: trace = 5.680153605096928 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245556072 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.67938121002896 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397145543 (0.000753833% change) linmin: converged after 5 iterations. iteration 7: trace = 5.679327009081291 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501428527 (9.69773e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.67931869579583 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872701 (2.86465e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.679316526996146 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977444 (3.5571e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.679316236097751 (2.8645e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.679316231672794 (7.79136e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.679316229977095 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108177 (1.52997e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.679316228341653 (1.34968e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 5.679316227585914 (1.33069e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.679316226988041 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97507e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.67931622663782 (1.19154e-09% change) linmin: converged after 9 iterations. iteration 23: trace = 5.679316226609477 (4.99051e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.679316226600837 (1.52135e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.38509631156921387 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.57218121352375 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925706007 (0.0642735% change) linmin: converged after 3 iterations. iteration 3: trace = 5.567657736853601 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135072 (0.00383592% change) linmin: converged after 5 iterations. iteration 5: trace = 5.567377620490181 (0.00119534% change) linmin: converged after 5 iterations. iteration 6: trace = 5.567363512847055 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913101 (6.29011e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567358378549432 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479857 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846616 (7.8607e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.567356991067827 (2.42088e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.567356957505876 (6.02835e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.567356948843496 (1.55592e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567356946798316 (3.67352e-08% change) linmin: converged after 22 iterations. iteration 15: trace = 5.567356946093135 (1.26664e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.20514e-09% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567356945304207 (5.96546e-09% change) linmin: converged after 7 iterations. iteration 18: trace = 5.567356944950218 (6.35829e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567356944690507 (4.66488e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.567356944584951 (1.89599e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567356944550362 (6.21286e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567356944542213 (1.46372e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.1676316261291504 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106742345 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108995 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715393 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820871 (0.00226257% change) linmin: converged after 4 iterations. iteration 5: trace = 5.529282320152231 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469082 (0.000147391% change) linmin: converged after 9 iterations. iteration 7: trace = 5.529272236624188 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.52927160610899 (1.14032e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.529271436020514 (3.07615e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 5.529271373878376 (1.12388e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.529271337491402 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740964 (3.02941e-07% change) linmin: converged after 32 iterations. iteration 13: trace = 5.52927131554956 (9.38895e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.52927131449556 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233556 (4.73849e-09% change) linmin: converged after 17 iterations. iteration 16: trace = 5.529271314081585 (2.74848e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.529271313980218 (1.83328e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.529271313876949 (1.86769e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.529271313777745 (1.79416e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.529271313733425 (8.01554e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.529271313721345 (2.18476e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.08700108528137207 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517440993 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185464449 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.533288931112328 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711817137 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53234281599609 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53223657988553 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246417 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409585 (0.000349281% change) linmin: converged after 5 iterations. iteration 9: trace = 5.532156997902877 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963378 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741136 (9.49399e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.532153673436563 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.532153624609109 (8.82612e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.532153611036557 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469198 (6.44841e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.53215360667281 (1.43956e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.532153606425389 (4.47241e-09% change) linmin: converged after 8 iterations. iteration 18: trace = 5.532153606309882 (2.08793e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238234 (1.29511e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.532153606171855 (1.19987e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.532153606115742 (1.01431e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.532153606087498 (5.10544e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.532153606073366 (2.55449e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.21902155876159668 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467745 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135059004 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333685 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.53586963592839 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921418 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 5 iterations. iteration 9: trace = 5.534699673866186 (0.000173854% change) linmin: converged after 5 iterations. iteration 10: trace = 5.534696883149079 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656591 (1.05786e-05% change) linmin: converged after 14 iterations. iteration 12: trace = 5.534696086069424 (3.82292e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.53469602314202 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432271 (3.56113e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.534695997023228 (1.15798e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 5.534695995144553 (3.39436e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.534695994510908 (1.14486e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.534695994207878 (5.47511e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.5346959940304 (3.20664e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.534695993871268 (2.87518e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.534695993784571 (1.56643e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.534695993753228 (5.66299e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.534695993742769 (1.88975e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.2778165340423584 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339883141 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895849107 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673732058 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466592 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141156 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433182 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010774 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268946 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125399 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729437 (5.83375e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52714047204988 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332192 (1.55184e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.527140039497725 (4.31226e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.527140027391177 (6.10863e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.527140025708307 (3.04474e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.527140024739852 (1.75218e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.52714002424972 (8.86774e-09% change) linmin: converged after 20 iterations. iteration 20: trace = 5.527140024034409 (3.89551e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.527140023982141 (9.45668e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969882 (2.2179e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.09108161926269531 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858706062 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237674 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977724 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127324 (0.0137437% change) linmin: converged after 4 iterations. iteration 5: trace = 5.514757022135015 (0.00687383% change) linmin: converged after 9 iterations. iteration 6: trace = 5.514652113037966 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.51460223226159 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.51458988830778 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299526 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956625 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925806 (9.88345e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.514581551297036 (3.67442e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 5.514581501626852 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384372 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005886 (6.12646e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.514581486953491 (1.90839e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.514581486665213 (5.22756e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577285 (1.59446e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.514581486551827 (4.61646e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.514581486536881 (2.71032e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.514581486529239 (1.38576e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.1454944610595703 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354884038 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342223 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143168 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 5 iterations. iteration 5: trace = 5.508737669131326 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257637 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.508654122067274 (0.000535832% change) linmin: converged after 5 iterations. iteration 8: trace = 5.508646692888515 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274298 (5.63226e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.508642644310974 (1.71723e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.508642365130625 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323832 (1.86628e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.508642237881131 (4.43716e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.508642233589994 (7.78983e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.508642232550771 (1.88653e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.508642232232832 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.508642232157101 (1.37477e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.508642232135503 (3.92072e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.17312169075012207 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313168 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881727 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342748 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670689 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830649 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395581 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695417993 (0.000380238% change) linmin: converged after 4 iterations. iteration 9: trace = 5.538951634380074 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756816 (4.79987e-05% change) linmin: converged after 34 iterations. iteration 11: trace = 5.538948192460804 (1.41416e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.538947835307319 (6.44804e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.538947686577418 (2.68517e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538947636561977 (9.02977e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030194 (3.34572e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.538947613905393 (7.4469e-08% change) linmin: converged after 23 iterations. iteration 17: trace = 5.538947613187704 (1.29571e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.538947612989034 (3.58677e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.538947612948648 (7.29134e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937278 (2.05266e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.34491920471191406 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200631501 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549628191 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479465311 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868754246 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497329 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264385 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.63693616636827 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755417 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414136 (0.000160804% change) linmin: converged after 6 iterations. iteration 10: trace = 5.636893338294109 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.636892881857397 (8.09731e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 5.636892759768442 (2.16589e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.636892722735079 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210956 (1.86701e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.636892708239734 (7.04506e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.636892706830089 (2.50075e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.636892706179625 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778893 (7.10909e-09% change) linmin: converged after 25 iterations. iteration 19: trace = 5.636892705608977 (3.01435e-09% change) linmin: converged after 17 iterations. iteration 20: trace = 5.636892705551569 (1.01844e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.636892705530974 (3.65362e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.4016292095184326 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.81850397229077 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946629663 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955588935 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036810262 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684313883 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579567 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816898936 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546447 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771267 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624883 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317811 (9.46769e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876407 (6.21864e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.807437481552951 (3.4668e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.807436670284366 (1.39695e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.8074362899604 (6.54891e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.807436162892381 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334483 (6.29502e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 5.807436113287418 (4.99442e-08% change) linmin: converged after 26 iterations. iteration 20: trace = 5.807436112416768 (1.4992e-08% change) linmin: converged after 20 iterations. iteration 21: trace = 5.807436112088622 (5.65045e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.807436111990087 (1.6967e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.80743611192849 (1.06067e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.807436111892699 (6.16295e-10% change) linmin: converged after 18 iterations. iteration 25: trace = 5.807436111861502 (5.3718e-10% change) linmin: converged after 12 iterations. iteration 26: trace = 5.807436111844974 (2.84603e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.0974893569946289 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406898 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.04721742344514 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353635004 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071556 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957797 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541616 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732497 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498213 (0.00324293% change) linmin: converged after 4 iterations. iteration 9: trace = 6.039366429150525 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543028 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154683 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291311 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215228 (0.000194101% change) linmin: converged after 3 iterations. iteration 14: trace = 6.039151356031253 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.03914929136149 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716702 (4.8458e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832842 (2.11758e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 6.039148806998378 (1.05701e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226737 (7.96694e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437228 (2.96318e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 6.039148747735011 (1.16277e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.039148746498665 (1.0021e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 6.039148745995296 (8.3351e-09% change) linmin: converged after 22 iterations. iteration 28: trace = 6.039148745700736 (4.87751e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 6.039148745569349 (2.17558e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510188 (9.79634e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.039148745490023 (3.33908e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.25391054153442383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915282703 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546870506 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153904172 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635423668 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497514124 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175370947 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982920777 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637846104 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505965657 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423721 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116506 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.20538969590178 (0.000229755% change) linmin: converged after 7 iterations. iteration 13: trace = 6.205378818817865 (0.000175285% change) linmin: converged after 5 iterations. iteration 14: trace = 6.20536902289189 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408646 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260895072 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521570035 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171488 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.205340291030811 (4.98948e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895535662 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348829109 (8.81026e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122341 (5.05543e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843117912 (3.09418e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205337736263818 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834875 (8.77131e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438703 (3.77033e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 6.205337650174807 (1.33174e-07% change) linmin: converged after 14 iterations. iteration 28: trace = 6.205337648379766 (2.89274e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812921 (9.1348e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205337647526122 (4.62181e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.20533764730531 (3.55842e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205337647187882 (1.89237e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139041 (7.87079e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.205337647127357 (1.88289e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.09675431251525879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039021 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191518 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415254 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594292 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041982 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575196 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% total elapsed time for run: 3.494719982147217 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepFBAM2J/test_tri_rods-0: 5.22s /tmp/meepFBAM2J/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017921924591064453 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06793713569641113 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06551074981689453 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.09832382202148438 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.05142855644226074 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.04807400703430176 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.048036813735961914 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04438972473144531 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04421377182006836 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03739786148071289 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.14470171928405762 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.038979530334472656 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415341 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317017 (2.34224e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309861 (1.70469e-10% change) linmin: converged after 8 iterations. iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.2861499786376953 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338977 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.283281438838008 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693609 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102652 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991159 (2.21481e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04825615882873535 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164765 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 5 iterations. iteration 5: trace = 4.410114427040232 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711942 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698954 (2.90272e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.410102277309537 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815383 (5.65555e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561979 (5.746e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.410102274546347 (3.54458e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.058219194412231445 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101568 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258571 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323366 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319917 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 9 iterations. iteration 6: trace = 4.534531477384963 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244491 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393298 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423107 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618731 (7.91743e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75014e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.534517622760765 (4.58572e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1913459300994873 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273709 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330472 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234653 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379689 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189914 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102072 (0.000900408% change) linmin: converged after 10 iterations. iteration 7: trace = 4.577900193795437 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57789572495597 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564435 (2.15468e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.577894647524322 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981874 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.57789462756006 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91274e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.577894626586341 (2.14266e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573655 (2.77111e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572484 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(25.582641991783166) not less than or equal to np.float64(0.03691917153659588) : ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list self.check_freqs(expected_gap_list, result) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: -0.9945407488966614 != -0.9950905165813094 within 3 places (0.0005497676846479838 difference) ---------------------------------------------------------------------- Ran 47 tests in 400.078s FAILED (failures=4) elapsed time for k point: 0.04538249969482422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585158 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443277 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.560560794779775) to band 4 (0.5932960873585158), 5.6740646236952275% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.3213436603546143 done /tmp/meepFBAM2J/test_triangular_lattice-0: 1.32s /tmp/meepFBAM2J/test_update_band_range_data-0 ======================== /tmp/meepFBAM2J/test_update_band_range_data-0: 0.00s Elapsed run time = 400.1077 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition =================================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_mode_decomposition.py (exit status: 1) FAIL: tests/test_pml_cyl ======================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_pml_cyl.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' Byte-compiling python modules... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (more optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' Byte-compiling python modules... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' Byte-compiling python modules... mpb.py solver.py mpb_data.py Byte-compiling python modules (optimized versions) ... mpb.py solver.py mpb_data.py Byte-compiling python modules (more optimized versions) ... mpb.py solver.py mpb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyTuple_New: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GetIter: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2341410 and its subdirectories I: Current time: Sun Apr 12 01:45:10 -12 2026 I: pbuilder-time-stamp: 1776001510 Sun Apr 12 13:45:10 UTC 2026 I: Signing ./b1/meep_1.29.0-1_amd64.buildinfo as meep_1.29.0-1_amd64.buildinfo.asc Sun Apr 12 13:45:10 UTC 2026 I: Signed ./b1/meep_1.29.0-1_amd64.buildinfo as ./b1/meep_1.29.0-1_amd64.buildinfo.asc Sun Apr 12 13:45:10 UTC 2026 - build #1 for meep/trixie/amd64 on ionos15-amd64 done. Starting cleanup. All cleanup done. Sun Apr 12 13:45:10 UTC 2026 - reproducible_build.sh stopped running as /tmp/jenkins-script-FYDnW9Q4, removing. /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9: total 16 drwxr-xr-x 2 jenkins jenkins 4096 Mar 10 07:22 b1 drwxr-xr-x 2 jenkins jenkins 4096 Mar 10 06:42 b2 -rw-r--r-- 1 jenkins jenkins 2495 Mar 2 12:43 meep_1.29.0-1.dsc -rw------- 1 jenkins jenkins 3576 Mar 10 06:42 rbuildlog.axeUTPG /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1: total 62464 -rw-r--r-- 1 jenkins jenkins 5275019 Mar 10 07:22 build.log -rw-r--r-- 1 jenkins jenkins 510552 Mar 10 07:22 libmeep-dev_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 3549964 Mar 10 07:22 libmeep33-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 509764 Mar 10 07:22 libmeep33_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1975760 Mar 10 07:22 meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 143852 Mar 10 07:22 meep_1.29.0-1.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2495 Mar 10 07:22 meep_1.29.0-1.dsc -rw-r--r-- 1 jenkins jenkins 14427 Mar 10 07:22 meep_1.29.0-1_amd64.buildinfo -rw-r--r-- 1 jenkins jenkins 15309 Mar 10 07:22 meep_1.29.0-1_amd64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 3034 Mar 10 07:22 meep_1.29.0-1_amd64.changes -rw-r--r-- 1 jenkins jenkins 309184 Mar 10 07:22 meep_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1546 Mar 10 07:22 meep_1.29.0-1_source.changes -rw-r--r-- 1 jenkins jenkins 45869613 Mar 10 07:22 meep_1.29.0.orig.tar.gz -rw-r--r-- 1 jenkins jenkins 4887892 Mar 10 07:22 python3-meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 865336 Mar 10 07:22 python3-meep_1.29.0-1_amd64.deb /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2: total 0 Mon Mar 10 07:22:13 UTC 2025 I: Deleting $TMPDIR on ionos15-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sun Apr 12 01:05:05 -12 2026 I: pbuilder-time-stamp: 1775999105 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.29.0-1.dsc] I: copying [./meep_1.29.0.orig.tar.gz] I: copying [./meep_1.29.0-1.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-1.dsc: unsupported subcommand dpkg-source: info: extracting meep in meep-1.29.0 dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz dpkg-source: info: unpacking meep_1.29.0-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='cb352a3b02e4438e95a6c204c7825bb5' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2341410' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_JlNO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1 --logfile b1/build.log meep_1.29.0-1.dsc' SUDO_GID='111' SUDO_UID='106' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however: Package architecture-is-64-bit is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpsm-infinipath1{a} libpsm2-2{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-pytz{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch shared-mime-info wget xdg-user-dirs 0 packages upgraded, 284 newly installed, 0 to remove and 0 not upgraded. Need to get 241 MB of archives. After unpacking 987 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main amd64 libpython3.13-minimal amd64 3.13.2-1 [859 kB] Get: 2 http://deb.debian.org/debian trixie/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 3 http://deb.debian.org/debian trixie/main amd64 python3.13-minimal amd64 3.13.2-1 [2205 kB] Get: 4 http://deb.debian.org/debian trixie/main amd64 python3-minimal amd64 3.13.2-1 [27.1 kB] Get: 5 http://deb.debian.org/debian trixie/main amd64 media-types all 12.0.0 [28.9 kB] Get: 6 http://deb.debian.org/debian trixie/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main amd64 tzdata all 2025a-2 [259 kB] Get: 8 http://deb.debian.org/debian trixie/main amd64 libffi8 amd64 3.4.7-1 [23.9 kB] Get: 9 http://deb.debian.org/debian trixie/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 10 http://deb.debian.org/debian trixie/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 11 http://deb.debian.org/debian trixie/main amd64 libpython3.13-stdlib amd64 3.13.2-1 [1979 kB] Get: 12 http://deb.debian.org/debian trixie/main amd64 python3.13 amd64 3.13.2-1 [745 kB] Get: 13 http://deb.debian.org/debian trixie/main amd64 libpython3-stdlib amd64 3.13.2-1 [10.0 kB] Get: 14 http://deb.debian.org/debian trixie/main amd64 python3 amd64 3.13.2-1 [28.1 kB] Get: 15 http://deb.debian.org/debian trixie/main amd64 python3-numpy-dev amd64 1:2.2.3+ds-2+b1 [138 kB] Get: 16 http://deb.debian.org/debian trixie/main amd64 libblas3 amd64 3.12.1-2 [160 kB] Get: 17 http://deb.debian.org/debian trixie/main amd64 libgfortran5 amd64 14.2.0-17 [836 kB] Get: 18 http://deb.debian.org/debian trixie/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB] Get: 19 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:2.2.3+ds-2+b1 [5081 kB] Get: 20 http://deb.debian.org/debian trixie/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 21 http://deb.debian.org/debian trixie/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 22 http://deb.debian.org/debian trixie/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 23 http://deb.debian.org/debian trixie/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 24 http://deb.debian.org/debian trixie/main amd64 gettext-base amd64 0.23.1-1 [243 kB] Get: 25 http://deb.debian.org/debian trixie/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 26 http://deb.debian.org/debian trixie/main amd64 groff-base amd64 1.23.0-7 [1185 kB] Get: 27 http://deb.debian.org/debian trixie/main amd64 bsdextrautils amd64 2.40.4-5 [92.4 kB] Get: 28 http://deb.debian.org/debian trixie/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 29 http://deb.debian.org/debian trixie/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 30 http://deb.debian.org/debian trixie/main amd64 architecture-properties amd64 0.2.6 [2336 B] Get: 31 http://deb.debian.org/debian trixie/main amd64 m4 amd64 1.4.19-7 [294 kB] Get: 32 http://deb.debian.org/debian trixie/main amd64 autoconf all 2.72-3 [493 kB] Get: 33 http://deb.debian.org/debian trixie/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 34 http://deb.debian.org/debian trixie/main amd64 automake all 1:1.17-3 [862 kB] Get: 35 http://deb.debian.org/debian trixie/main amd64 autopoint all 0.23.1-1 [770 kB] Get: 36 http://deb.debian.org/debian trixie/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB] Get: 37 http://deb.debian.org/debian trixie/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB] Get: 38 http://deb.debian.org/debian trixie/main amd64 libpng16-16t64 amd64 1.6.47-1 [282 kB] Get: 39 http://deb.debian.org/debian trixie/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 40 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 41 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 42 http://deb.debian.org/debian trixie/main amd64 fontconfig-config amd64 2.15.0-2 [317 kB] Get: 43 http://deb.debian.org/debian trixie/main amd64 libfontconfig1 amd64 2.15.0-2 [391 kB] Get: 44 http://deb.debian.org/debian trixie/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 45 http://deb.debian.org/debian trixie/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 46 http://deb.debian.org/debian trixie/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 47 http://deb.debian.org/debian trixie/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 48 http://deb.debian.org/debian trixie/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 49 http://deb.debian.org/debian trixie/main amd64 libxrender1 amd64 1:0.9.10-1.1+b4 [27.8 kB] Get: 50 http://deb.debian.org/debian trixie/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB] Get: 51 http://deb.debian.org/debian trixie/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB] Get: 52 http://deb.debian.org/debian trixie/main amd64 x11-common all 1:7.7+24 [217 kB] Get: 53 http://deb.debian.org/debian trixie/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB] Get: 54 http://deb.debian.org/debian trixie/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB] Get: 55 http://deb.debian.org/debian trixie/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-8 [591 kB] Get: 56 http://deb.debian.org/debian trixie/main amd64 blt amd64 2.5.3+dfsg-8 [5984 B] Get: 57 http://deb.debian.org/debian trixie/main amd64 chrpath amd64 0.18-1 [13.5 kB] Get: 58 http://deb.debian.org/debian trixie/main amd64 libcom-err2 amd64 1.47.2-1 [24.0 kB] Get: 59 http://deb.debian.org/debian trixie/main amd64 comerr-dev amd64 2.1-1.47.2-1 [55.7 kB] Get: 60 http://deb.debian.org/debian trixie/main amd64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 61 http://deb.debian.org/debian trixie/main amd64 libtool all 2.5.4-4 [539 kB] Get: 62 http://deb.debian.org/debian trixie/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 66 http://deb.debian.org/debian trixie/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 67 http://deb.debian.org/debian trixie/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 68 http://deb.debian.org/debian trixie/main amd64 libunistring5 amd64 1.3-1 [476 kB] Get: 69 http://deb.debian.org/debian trixie/main amd64 libicu72 amd64 72.1-6 [9421 kB] Get: 70 http://deb.debian.org/debian trixie/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b2 [699 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 gettext amd64 0.23.1-1 [1680 kB] Get: 72 http://deb.debian.org/debian trixie/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian trixie/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian trixie/main amd64 debhelper all 13.24.1 [920 kB] Get: 75 http://deb.debian.org/debian trixie/main amd64 diffstat amd64 1.67-1 [35.5 kB] Get: 76 http://deb.debian.org/debian trixie/main amd64 ed amd64 1.21-1 [61.4 kB] Get: 77 http://deb.debian.org/debian trixie/main amd64 fonts-lyx all 2.4.3-1 [190 kB] Get: 78 http://deb.debian.org/debian trixie/main amd64 libgfortran-14-dev amd64 14.2.0-17 [879 kB] Get: 79 http://deb.debian.org/debian trixie/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-17 [11.7 MB] Get: 80 http://deb.debian.org/debian trixie/main amd64 gfortran-14 amd64 14.2.0-17 [14.0 kB] Get: 81 http://deb.debian.org/debian trixie/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.2.0-1 [1284 B] Get: 82 http://deb.debian.org/debian trixie/main amd64 gfortran amd64 4:14.2.0-1 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main amd64 libgc1 amd64 1:8.2.8-1 [247 kB] Get: 84 http://deb.debian.org/debian trixie/main amd64 guile-3.0-libs amd64 3.0.10+really3.0.10-4 [6877 kB] Get: 85 http://deb.debian.org/debian trixie/main amd64 guile-3.0 amd64 3.0.10+really3.0.10-4 [22.7 kB] Get: 86 http://deb.debian.org/debian trixie/main amd64 libncurses6 amd64 6.5+20250216-1 [105 kB] Get: 87 http://deb.debian.org/debian trixie/main amd64 libncurses-dev amd64 6.5+20250216-1 [353 kB] Get: 88 http://deb.debian.org/debian trixie/main amd64 libreadline-dev amd64 8.2-6 [153 kB] Get: 89 http://deb.debian.org/debian trixie/main amd64 libltdl7 amd64 2.5.4-4 [416 kB] Get: 90 http://deb.debian.org/debian trixie/main amd64 libltdl-dev amd64 2.5.4-4 [168 kB] Get: 91 http://deb.debian.org/debian trixie/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-3 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-3 [642 kB] Get: 93 http://deb.debian.org/debian trixie/main amd64 libgc-dev amd64 1:8.2.8-1 [416 kB] Get: 94 http://deb.debian.org/debian trixie/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB] Get: 95 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 96 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 97 http://deb.debian.org/debian trixie/main amd64 guile-3.0-dev amd64 3.0.10+really3.0.10-4 [151 kB] Get: 98 http://deb.debian.org/debian trixie/main amd64 hdf5-helpers amd64 1.14.5+repack-3 [26.6 kB] Get: 99 http://deb.debian.org/debian trixie/main amd64 libnl-3-200 amd64 3.7.0-0.3+b1 [59.4 kB] Get: 100 http://deb.debian.org/debian trixie/main amd64 libnl-route-3-200 amd64 3.7.0-0.3+b1 [182 kB] Get: 101 http://deb.debian.org/debian trixie/main amd64 libibverbs1 amd64 55.0-1 [62.2 kB] Get: 102 http://deb.debian.org/debian trixie/main amd64 ibverbs-providers amd64 55.0-1 [351 kB] Get: 103 http://deb.debian.org/debian trixie/main amd64 libkrb5support0 amd64 1.21.3-4 [32.8 kB] Get: 104 http://deb.debian.org/debian trixie/main amd64 libk5crypto3 amd64 1.21.3-4 [80.9 kB] Get: 105 http://deb.debian.org/debian trixie/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 106 http://deb.debian.org/debian trixie/main amd64 libkrb5-3 amd64 1.21.3-4 [326 kB] Get: 107 http://deb.debian.org/debian trixie/main amd64 libgssapi-krb5-2 amd64 1.21.3-4 [138 kB] Get: 108 http://deb.debian.org/debian trixie/main amd64 libgssrpc4t64 amd64 1.21.3-4 [60.0 kB] Get: 109 http://deb.debian.org/debian trixie/main amd64 libkadm5clnt-mit12 amd64 1.21.3-4 [42.2 kB] Get: 110 http://deb.debian.org/debian trixie/main amd64 libkdb5-10t64 amd64 1.21.3-4 [42.4 kB] Get: 111 http://deb.debian.org/debian trixie/main amd64 libkadm5srv-mit12 amd64 1.21.3-4 [54.2 kB] Get: 112 http://deb.debian.org/debian trixie/main amd64 krb5-multidev amd64 1.21.3-4 [126 kB] Get: 113 http://deb.debian.org/debian trixie/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB] Get: 114 http://deb.debian.org/debian trixie/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B] Get: 115 http://deb.debian.org/debian trixie/main amd64 libaec-dev amd64 1.1.3-1+b1 [21.5 kB] Get: 116 http://deb.debian.org/debian trixie/main amd64 libedit2 amd64 3.1-20250104-1 [93.8 kB] Get: 117 http://deb.debian.org/debian trixie/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 118 http://deb.debian.org/debian trixie/main amd64 libllvm17t64 amd64 1:17.0.6-21 [23.6 MB] Get: 119 http://deb.debian.org/debian trixie/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get: 120 http://deb.debian.org/debian trixie/main amd64 libdrm-common all 2.4.124-1 [8180 B] Get: 121 http://deb.debian.org/debian trixie/main amd64 libdrm2 amd64 2.4.124-1 [38.9 kB] Get: 122 http://deb.debian.org/debian trixie/main amd64 libdrm-amdgpu1 amd64 2.4.124-1 [22.4 kB] Get: 123 http://deb.debian.org/debian trixie/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB] Get: 124 http://deb.debian.org/debian trixie/main amd64 libhsakmt1 amd64 6.2.4+ds-1 [61.1 kB] Get: 125 http://deb.debian.org/debian trixie/main amd64 libhsa-runtime64-1 amd64 6.1.2-3 [535 kB] Get: 126 http://deb.debian.org/debian trixie/main amd64 libamdhip64-5 amd64 5.7.1-5+b1 [8882 kB] Get: 127 http://deb.debian.org/debian trixie/main amd64 libblas-dev amd64 3.12.1-2 [170 kB] Get: 128 http://deb.debian.org/debian trixie/main amd64 libbrotli-dev amd64 1.1.0-2+b7 [316 kB] Get: 129 http://deb.debian.org/debian trixie/main amd64 libctl7t64 amd64 4.5.1-3 [111 kB] Get: 130 http://deb.debian.org/debian trixie/main amd64 libctl-dev amd64 4.5.1-3 [105 kB] Get: 131 http://deb.debian.org/debian trixie/main amd64 libidn2-0 amd64 2.3.7-2+b1 [129 kB] Get: 132 http://deb.debian.org/debian trixie/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-9 [19.8 kB] Get: 133 http://deb.debian.org/debian trixie/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-9 [57.5 kB] Get: 134 http://deb.debian.org/debian trixie/main amd64 libldap2 amd64 2.6.9+dfsg-1 [192 kB] Get: 135 http://deb.debian.org/debian trixie/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 136 http://deb.debian.org/debian trixie/main amd64 libnghttp3-9 amd64 1.8.0-1 [67.7 kB] Get: 137 http://deb.debian.org/debian trixie/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 138 http://deb.debian.org/debian trixie/main amd64 libp11-kit0 amd64 0.25.5-3 [425 kB] Get: 139 http://deb.debian.org/debian trixie/main amd64 libtasn1-6 amd64 4.20.0-2 [49.9 kB] Get: 140 http://deb.debian.org/debian trixie/main amd64 libgnutls30t64 amd64 3.8.9-2 [1464 kB] Get: 141 http://deb.debian.org/debian trixie/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 142 http://deb.debian.org/debian trixie/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 143 http://deb.debian.org/debian trixie/main amd64 libcurl4t64 amd64 8.12.1-3 [369 kB] Get: 144 http://deb.debian.org/debian trixie/main amd64 libidn2-dev amd64 2.3.7-2+b1 [123 kB] Get: 145 http://deb.debian.org/debian trixie/main amd64 libkrb5-dev amd64 1.21.3-4 [15.9 kB] Get: 146 http://deb.debian.org/debian trixie/main amd64 libldap-dev amd64 2.6.9+dfsg-1 [307 kB] Get: 147 http://deb.debian.org/debian trixie/main amd64 libnghttp2-dev amd64 1.64.0-1 [115 kB] Get: 148 http://deb.debian.org/debian trixie/main amd64 libnghttp3-dev amd64 1.8.0-1 [91.3 kB] Get: 149 http://deb.debian.org/debian trixie/main amd64 libpsl-dev amd64 0.21.2-1.1+b1 [77.6 kB] Get: 150 http://deb.debian.org/debian trixie/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10+b1 [182 kB] Get: 151 http://deb.debian.org/debian trixie/main amd64 libunbound8 amd64 1.22.0-1+b1 [598 kB] Get: 152 http://deb.debian.org/debian trixie/main amd64 libgnutls-dane0t64 amd64 3.8.9-2 [455 kB] Get: 153 http://deb.debian.org/debian trixie/main amd64 libgnutls-openssl27t64 amd64 3.8.9-2 [455 kB] Get: 154 http://deb.debian.org/debian trixie/main amd64 libp11-kit-dev amd64 0.25.5-3 [208 kB] Get: 155 http://deb.debian.org/debian trixie/main amd64 libtasn1-6-dev amd64 4.20.0-2 [99.2 kB] Get: 156 http://deb.debian.org/debian trixie/main amd64 nettle-dev amd64 3.10.1-1 [1318 kB] Get: 157 http://deb.debian.org/debian trixie/main amd64 libgnutls28-dev amd64 3.8.9-2 [1401 kB] Get: 158 http://deb.debian.org/debian trixie/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get: 159 http://deb.debian.org/debian trixie/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b5 [68.0 kB] Get: 160 http://deb.debian.org/debian trixie/main amd64 libssl-dev amd64 3.4.1-1 [2787 kB] Get: 161 http://deb.debian.org/debian trixie/main amd64 libssh2-1-dev amd64 1.11.1-1 [393 kB] Get: 162 http://deb.debian.org/debian trixie/main amd64 libzstd-dev amd64 1.5.6+dfsg-2 [365 kB] Get: 163 http://deb.debian.org/debian trixie/main amd64 libcurl4-openssl-dev amd64 8.12.1-3 [483 kB] Get: 164 http://deb.debian.org/debian trixie/main amd64 libdeflate0 amd64 1.23-1+b1 [47.5 kB] Get: 165 http://deb.debian.org/debian trixie/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get: 166 http://deb.debian.org/debian trixie/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get: 167 http://deb.debian.org/debian trixie/main amd64 libexpat1-dev amd64 2.6.4-1 [158 kB] Get: 168 http://deb.debian.org/debian trixie/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 169 http://deb.debian.org/debian trixie/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 170 http://deb.debian.org/debian trixie/main amd64 librdmacm1t64 amd64 55.0-1 [70.2 kB] Get: 171 http://deb.debian.org/debian trixie/main amd64 libfabric1 amd64 1.17.0-3.1 [631 kB] Get: 172 http://deb.debian.org/debian trixie/main amd64 libfftw3-double3 amd64 3.3.10-2+b1 [781 kB] Get: 173 http://deb.debian.org/debian trixie/main amd64 libfftw3-long3 amd64 3.3.10-2+b1 [347 kB] Get: 174 http://deb.debian.org/debian trixie/main amd64 libfftw3-quad3 amd64 3.3.10-2+b1 [618 kB] Get: 175 http://deb.debian.org/debian trixie/main amd64 libfftw3-single3 amd64 3.3.10-2+b1 [809 kB] Get: 176 http://deb.debian.org/debian trixie/main amd64 libfftw3-bin amd64 3.3.10-2+b1 [51.3 kB] Get: 177 http://deb.debian.org/debian trixie/main amd64 libfftw3-dev amd64 3.3.10-2+b1 [2118 kB] Get: 178 http://deb.debian.org/debian trixie/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get: 179 http://deb.debian.org/debian trixie/main amd64 libgpg-error0 amd64 1.51-3 [82.2 kB] Get: 180 http://deb.debian.org/debian trixie/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB] Get: 181 http://deb.debian.org/debian trixie/main amd64 libgdsii0 amd64 0.2+ds.1-1+b2 [31.9 kB] Get: 182 http://deb.debian.org/debian trixie/main amd64 libgdsii-dev amd64 0.2+ds.1-1+b2 [36.2 kB] Get: 183 http://deb.debian.org/debian trixie/main amd64 libglib2.0-0t64 amd64 2.83.4-1 [1512 kB] Get: 184 http://deb.debian.org/debian trixie/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 185 http://deb.debian.org/debian trixie/main amd64 libgslcblas0 amd64 2.8+dfsg-5 [116 kB] Get: 186 http://deb.debian.org/debian trixie/main amd64 libgsl28 amd64 2.8+dfsg-5 [994 kB] Get: 187 http://deb.debian.org/debian trixie/main amd64 libgsl-dev amd64 2.8+dfsg-5 [1222 kB] Get: 188 http://deb.debian.org/debian trixie/main amd64 libharfbuzz0b amd64 10.2.0-1 [479 kB] Get: 189 http://deb.debian.org/debian trixie/main amd64 libharminv3 amd64 1.4.2-1 [18.0 kB] Get: 190 http://deb.debian.org/debian trixie/main amd64 libharminv-dev amd64 1.4.2-1 [15.8 kB] Get: 191 http://deb.debian.org/debian trixie/main amd64 libhdf5-310 amd64 1.14.5+repack-3 [1344 kB] Get: 192 http://deb.debian.org/debian trixie/main amd64 libhdf5-cpp-310 amd64 1.14.5+repack-3 [133 kB] Get: 193 http://deb.debian.org/debian trixie/main amd64 libhdf5-fortran-310 amd64 1.14.5+repack-3 [111 kB] Get: 194 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [69.3 kB] Get: 195 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-fortran-310 amd64 1.14.5+repack-3 [43.9 kB] Get: 196 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-cpp-310 amd64 1.14.5+repack-3 [24.4 kB] Get: 197 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB] Get: 198 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3.1 [292 kB] Get: 199 http://deb.debian.org/debian trixie/main amd64 libjpeg-dev amd64 1:2.1.5-3.1 [72.0 kB] Get: 200 http://deb.debian.org/debian trixie/main amd64 libhdf5-dev amd64 1.14.5+repack-3 [3165 kB] Get: 201 http://deb.debian.org/debian trixie/main amd64 libhwloc15 amd64 2.12.0-1 [164 kB] Get: 202 http://deb.debian.org/debian trixie/main amd64 libmunge2 amd64 0.5.16-1 [19.7 kB] Get: 203 http://deb.debian.org/debian trixie/main amd64 libpciaccess0 amd64 0.17-3+b3 [51.9 kB] Get: 204 http://deb.debian.org/debian trixie/main amd64 libxnvctrl0 amd64 535.171.04-1+b2 [14.2 kB] Get: 205 http://deb.debian.org/debian trixie/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB] Get: 206 http://deb.debian.org/debian trixie/main amd64 libhwloc-plugins amd64 2.12.0-1 [18.1 kB] Get: 207 http://deb.debian.org/debian trixie/main amd64 libpmix2t64 amd64 5.0.6-5 [651 kB] Get: 208 http://deb.debian.org/debian trixie/main amd64 libibumad3 amd64 55.0-1 [28.5 kB] Get: 209 http://deb.debian.org/debian trixie/main amd64 libibmad5 amd64 55.0-1 [43.3 kB] Get: 210 http://deb.debian.org/debian trixie/main amd64 libucx0 amd64 1.18.1+ds-1 [1197 kB] Get: 211 http://deb.debian.org/debian trixie/main amd64 libopenmpi40 amd64 5.0.7-1 [2365 kB] Get: 212 http://deb.debian.org/debian trixie/main amd64 libhdf5-openmpi-310 amd64 1.14.5+repack-3 [1395 kB] Get: 213 http://deb.debian.org/debian trixie/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 214 http://deb.debian.org/debian trixie/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 215 http://deb.debian.org/debian trixie/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 216 http://deb.debian.org/debian trixie/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 217 http://deb.debian.org/debian trixie/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 218 http://deb.debian.org/debian trixie/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 219 http://deb.debian.org/debian trixie/main amd64 liblapack-dev amd64 3.12.1-2 [4998 kB] Get: 220 http://deb.debian.org/debian trixie/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b2 [29.4 kB] Get: 221 http://deb.debian.org/debian trixie/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get: 222 http://deb.debian.org/debian trixie/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 223 http://deb.debian.org/debian trixie/main amd64 liblzf1 amd64 3.6-4+b3 [10.1 kB] Get: 224 http://deb.debian.org/debian trixie/main amd64 libopenjp2-7 amd64 2.5.3-1 [204 kB] Get: 225 http://deb.debian.org/debian trixie/main amd64 libpython3.13 amd64 3.13.2-1 [2151 kB] Get: 226 http://deb.debian.org/debian trixie/main amd64 libpython3.13-dev amd64 3.13.2-1 [5005 kB] Get: 227 http://deb.debian.org/debian trixie/main amd64 libpython3-dev amd64 3.13.2-1 [10.3 kB] Get: 228 http://deb.debian.org/debian trixie/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get: 229 http://deb.debian.org/debian trixie/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get: 230 http://deb.debian.org/debian trixie/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB] Get: 231 http://deb.debian.org/debian trixie/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB] Get: 232 http://deb.debian.org/debian trixie/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 233 http://deb.debian.org/debian trixie/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB] Get: 234 http://deb.debian.org/debian trixie/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB] Get: 235 http://deb.debian.org/debian trixie/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 236 http://deb.debian.org/debian trixie/main amd64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 237 http://deb.debian.org/debian trixie/main amd64 mpb amd64 1.11.1-6+b2 [218 kB] Get: 238 http://deb.debian.org/debian trixie/main amd64 mpb-dev amd64 1.11.1-6+b2 [8448 B] Get: 239 http://deb.debian.org/debian trixie/main amd64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 240 http://deb.debian.org/debian trixie/main amd64 python3-attr all 25.1.0-1 [68.7 kB] Get: 241 http://deb.debian.org/debian trixie/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 242 http://deb.debian.org/debian trixie/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB] Get: 243 http://deb.debian.org/debian trixie/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB] Get: 244 http://deb.debian.org/debian trixie/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 245 http://deb.debian.org/debian trixie/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 246 http://deb.debian.org/debian trixie/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 247 http://deb.debian.org/debian trixie/main amd64 python3.13-dev amd64 3.13.2-1 [507 kB] Get: 248 http://deb.debian.org/debian trixie/main amd64 python3-dev amd64 3.13.2-1 [26.1 kB] Get: 249 http://deb.debian.org/debian trixie/main amd64 python3-pytz all 2025.1-3 [150 kB] Get: 250 http://deb.debian.org/debian trixie/main amd64 python3-tz all 2025.1-3 [4004 B] Get: 251 http://deb.debian.org/debian trixie/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 252 http://deb.debian.org/debian trixie/main amd64 python3-fs all 2.4.16-6 [95.1 kB] Get: 253 http://deb.debian.org/debian trixie/main amd64 python3-lxml amd64 5.3.1-1+b1 [1288 kB] Get: 254 http://deb.debian.org/debian trixie/main amd64 python3-lz4 amd64 4.4.0+dfsg-1+b1 [25.5 kB] Get: 255 http://deb.debian.org/debian trixie/main amd64 python3-scipy amd64 1.14.1-4+b1 [17.1 MB] Get: 256 http://deb.debian.org/debian trixie/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 257 http://deb.debian.org/debian trixie/main amd64 python3-sympy all 1.13.3-5 [4148 kB] Get: 258 http://deb.debian.org/debian trixie/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 259 http://deb.debian.org/debian trixie/main amd64 python3-unicodedata2 amd64 15.1.0+ds-1+b4 [299 kB] Get: 260 http://deb.debian.org/debian trixie/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 261 http://deb.debian.org/debian trixie/main amd64 python3-fonttools amd64 4.55.3-2+b1 [1448 kB] Get: 262 http://deb.debian.org/debian trixie/main amd64 python3-h5py-serial amd64 3.13.0-1+b1 [1065 kB] Get: 263 http://deb.debian.org/debian trixie/main amd64 python3-h5py all 3.13.0-1 [15.0 kB] Get: 264 http://deb.debian.org/debian trixie/main amd64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 265 http://deb.debian.org/debian trixie/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 266 http://deb.debian.org/debian trixie/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 267 http://deb.debian.org/debian trixie/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 268 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 269 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 270 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 271 http://deb.debian.org/debian trixie/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 272 http://deb.debian.org/debian trixie/main amd64 python3-setuptools all 75.8.0-1 [724 kB] Get: 273 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B] Get: 274 http://deb.debian.org/debian trixie/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB] Get: 275 http://deb.debian.org/debian trixie/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB] Get: 276 http://deb.debian.org/debian trixie/main amd64 python3.12-tk amd64 3.12.9-1 [113 kB] Get: 277 http://deb.debian.org/debian trixie/main amd64 python3.13-tk amd64 3.13.2-1 [103 kB] Get: 278 http://deb.debian.org/debian trixie/main amd64 python3-tk amd64 3.13.1-1+b1 [9760 B] Get: 279 http://deb.debian.org/debian trixie/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB] Get: 280 http://deb.debian.org/debian trixie/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 281 http://deb.debian.org/debian trixie/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 282 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 283 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB] Get: 284 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB] Fetched 241 MB in 4s (62.2 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../libpython3.13-minimal_3.13.2-1_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.2-1) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../python3.13-minimal_3.13.2-1_amd64.deb ... Unpacking python3.13-minimal (3.13.2-1) ... Setting up libpython3.13-minimal:amd64 (3.13.2-1) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.13-minimal (3.13.2-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20134 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.13.2-1_amd64.deb ... Unpacking python3-minimal (3.13.2-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_12.0.0_all.deb ... Unpacking media-types (12.0.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2025a-2_all.deb ... Unpacking tzdata (2025a-2) ... Selecting previously unselected package libffi8:amd64. Preparing to unpack .../4-libffi8_3.4.7-1_amd64.deb ... Unpacking libffi8:amd64 (3.4.7-1) ... Selecting previously unselected package readline-common. Preparing to unpack .../5-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../6-libreadline8t64_8.2-6_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-6) ... Selecting previously unselected package libpython3.13-stdlib:amd64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3.13-stdlib:amd64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_amd64.deb ... Unpacking python3.13 (3.13.2-1) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../9-libpython3-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.13.2-1) ... Setting up python3-minimal (3.13.2-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21144 files and directories currently installed.) Preparing to unpack .../000-python3_3.13.2-1_amd64.deb ... Unpacking python3 (3.13.2-1) ... Selecting previously unselected package python3-numpy-dev:amd64. Preparing to unpack .../001-python3-numpy-dev_1%3a2.2.3+ds-2+b1_amd64.deb ... Unpacking python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... Selecting previously unselected package libblas3:amd64. Preparing to unpack .../002-libblas3_3.12.1-2_amd64.deb ... Unpacking libblas3:amd64 (3.12.1-2) ... Selecting previously unselected package libgfortran5:amd64. Preparing to unpack .../003-libgfortran5_14.2.0-17_amd64.deb ... Unpacking libgfortran5:amd64 (14.2.0-17) ... Selecting previously unselected package liblapack3:amd64. Preparing to unpack .../004-liblapack3_3.12.1-2_amd64.deb ... Unpacking liblapack3:amd64 (3.12.1-2) ... Selecting previously unselected package python3-numpy. Preparing to unpack .../005-python3-numpy_1%3a2.2.3+ds-2+b1_amd64.deb ... Unpacking python3-numpy (1:2.2.3+ds-2+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../006-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../007-libmagic-mgc_1%3a5.45-3+b1_amd64.deb ... Unpacking libmagic-mgc (1:5.45-3+b1) ... Selecting previously unselected package libmagic1t64:amd64. Preparing to unpack .../008-libmagic1t64_1%3a5.45-3+b1_amd64.deb ... Unpacking libmagic1t64:amd64 (1:5.45-3+b1) ... Selecting previously unselected package file. Preparing to unpack .../009-file_1%3a5.45-3+b1_amd64.deb ... Unpacking file (1:5.45-3+b1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../010-gettext-base_0.23.1-1_amd64.deb ... Unpacking gettext-base (0.23.1-1) ... Selecting previously unselected package libuchardet0:amd64. Preparing to unpack .../011-libuchardet0_0.0.8-1+b2_amd64.deb ... Unpacking libuchardet0:amd64 (0.0.8-1+b2) ... Selecting previously unselected package groff-base. Preparing to unpack .../012-groff-base_1.23.0-7_amd64.deb ... Unpacking groff-base (1.23.0-7) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../013-bsdextrautils_2.40.4-5_amd64.deb ... Unpacking bsdextrautils (2.40.4-5) ... Selecting previously unselected package libpipeline1:amd64. Preparing to unpack .../014-libpipeline1_1.5.8-1_amd64.deb ... Unpacking libpipeline1:amd64 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../015-man-db_2.13.0-1_amd64.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package architecture-properties:amd64. Preparing to unpack .../016-architecture-properties_0.2.6_amd64.deb ... Unpacking architecture-properties:amd64 (0.2.6) ... Selecting previously unselected package m4. Preparing to unpack .../017-m4_1.4.19-7_amd64.deb ... Unpacking m4 (1.4.19-7) ... Selecting previously unselected package autoconf. Preparing to unpack .../018-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. 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Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-9) ... Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' Local time is now: Sun Apr 12 13:06:33 UTC 2026. Universal Time is now: Sun Apr 12 13:06:33 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.13.3-1) ... Setting up libblas3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libunbound8:amd64 (1.22.0-1+b1) ... Setting up libpkgconf3:amd64 (1.8.1-4) ... Setting up libgmpxx4ldbl:amd64 (2:6.3.0+dfsg-3) ... Setting up libmunge2:amd64 (0.5.16-1) ... Setting up libexpat1-dev:amd64 (2.6.4-1) ... Setting up libjpeg62-turbo:amd64 (1:2.1.5-3.1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libjpeg62-turbo-dev:amd64 (1:2.1.5-3.1) ... Setting up ed (1.21-1) ... Setting up libncurses6:amd64 (6.5+20250216-1) ... Setting up liblzf1:amd64 (3.6-4+b3) ... Setting up libfftw3-quad3:amd64 (3.3.10-2+b1) ... Setting up libfribidi0:amd64 (1.0.16-1) ... Setting up diffstat (1.67-1) ... Setting up libimagequant0:amd64 (2.18.0-1+b2) ... Setting up comerr-dev:amd64 (2.1-1.47.2-1) ... Setting up libunistring5:amd64 (1.3-1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:amd64 (3.4.1-1) ... Setting up libpng16-16t64:amd64 (1.6.47-1) ... Setting up libhwloc15:amd64 (2.12.0-1) ... Setting up python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ... Setting up autopoint (0.23.1-1) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:amd64 (1.21.3-4) ... Setting up libgc1:amd64 (1:8.2.8-1) ... Setting up libltdl7:amd64 (2.5.4-4) ... Setting up libfftw3-double3:amd64 (3.3.10-2+b1) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-9) ... Setting up libgfortran5:amd64 (14.2.0-17) ... Setting up autoconf (2.72-3) ... Setting up libnghttp3-9:amd64 (1.8.0-1) ... Setting up libwebp7:amd64 (1.5.0-0.1) ... Setting up libnghttp3-dev:amd64 (1.8.0-1) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libffi8:amd64 (3.4.7-1) ... Setting up libnuma1:amd64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ... Setting up libtiff6:amd64 (4.5.1+git230720-5) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... Setting up libnl-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up libtasn1-6:amd64 (4.20.0-2) ... Setting up libopenjp2-7:amd64 (2.5.3-1) ... Setting up libx11-6:amd64 (2:1.8.10-2) ... Setting up netbase (6.4) ... Setting up libkrb5-3:amd64 (1.21.3-4) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libssh2-1t64:amd64 (1.11.1-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:amd64 (2.8+dfsg-5) ... Setting up python-matplotlib-data (3.8.3-7) ... Setting up libgc-dev:amd64 (1:8.2.8-1) ... Setting up libtasn1-6-dev:amd64 (4.20.0-2) ... Setting up libwebpmux3:amd64 (1.5.0-0.1) ... Setting up libgdsii0:amd64 (0.2+ds.1-1+b2) ... Setting up libdrm-common (2.4.124-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.2+b2) ... Setting up libldap2:amd64 (2.6.9+dfsg-1) ... Setting up libbrotli-dev:amd64 (1.1.0-2+b7) ... Setting up chrpath (0.18-1) ... Setting up libblas-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsz2:amd64 (1.1.3-1+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:amd64 (14.2.0-17) ... Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up liblapack3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libncurses-dev:amd64 (6.5+20250216-1) ... Setting up gettext (0.23.1-1) ... Setting up libgsl-dev (2.8+dfsg-5) ... Setting up libgmp-dev:amd64 (2:6.3.0+dfsg-3) ... Setting up nettle-dev:amd64 (3.10.1-1) ... 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Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-21) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libldap-dev:amd64 (2.6.9+dfsg-1) ... Setting up libp11-kit0:amd64 (0.25.5-3) ... Setting up liblapack-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.21.3-4) ... Setting up libssh2-1-dev:amd64 (1.11.1-1) ... Setting up libidn2-dev:amd64 (2.3.7-2+b1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:amd64 (2.4.124-1) ... Setting up groff-base (1.23.0-7) ... Setting up libxslt1.1:amd64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:amd64 (10.2.0-1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:amd64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:amd64 (2.15.0-2) ... Setting up gfortran-14 (14.2.0-17) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libpython3.13-stdlib:amd64 (3.13.2-1) ... Setting up libfftw3-dev:amd64 (3.3.10-2+b1) ... Setting up libp11-kit-dev:amd64 (0.25.5-3) ... Setting up libpython3-stdlib:amd64 (3.13.2-1) ... Setting up liblbfgsb0:amd64 (3.0+dfsg.4-1+b2) ... Setting up libdrm-amdgpu1:amd64 (2.4.124-1) ... Setting up libpython3.13:amd64 (3.13.2-1) ... Setting up libgnutls30t64:amd64 (3.8.9-2) ... Setting up libgnutls-openssl27t64:amd64 (3.8.9-2) ... Setting up libnghttp2-dev:amd64 (1.64.0-1) ... Setting up libibverbs1:amd64 (55.0-1) ... Setting up libxft2:amd64 (2.3.6-1+b4) ... Setting up ibverbs-providers:amd64 (55.0-1) ... Setting up python3.13 (3.13.2-1) ... Setting up guile-3.0-libs:amd64 (3.0.10+really3.0.10-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up libpsl5t64:amd64 (0.21.2-1.1+b1) ... Setting up libctl7t64:amd64 (4.5.1-3) ... Setting up python3 (3.13.2-1) ... Setting up libreadline-dev:amd64 (8.2-6) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:amd64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran-x86-64-linux-gnu (4:14.2.0-1) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.2-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up libpsl-dev:amd64 (0.21.2-1.1+b1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up libgnutls-dane0t64:amd64 (3.8.9-2) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libgssrpc4t64:amd64 (1.21.3-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up libpython3.13-dev:amd64 (3.13.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libpmix2t64:amd64 (5.0.6-5) ... Setting up python3-numpy (1:2.2.3+ds-2+b1) ... Setting up python3-lxml:amd64 (5.3.1-1+b1) ... Setting up librdmacm1t64:amd64 (55.0-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up guile-3.0 (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:amd64 (6.2.4+ds-1) ... Setting up libkadm5clnt-mit12:amd64 (1.21.3-4) ... Setting up libgnutls28-dev:amd64 (3.8.9-2) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up libfabric1:amd64 (1.17.0-3.1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-8) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up libpython3-dev:amd64 (3.13.2-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up libcurl4t64:amd64 (8.12.1-3) ... Setting up libkdb5-10t64:amd64 (1.21.3-4) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3.13-dev (3.13.2-1) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b4) ... Setting up blt (2.5.3+dfsg-8) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-tk:amd64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:amd64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.13.2-1) ... Setting up librtmp-dev:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libhdf5-310:amd64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-3) ... Setting up libkadm5srv-mit12:amd64 (1.21.3-4) ... Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-fortran-310:amd64 (1.14.5+repack-3) ... Setting up krb5-multidev:amd64 (1.21.3-4) ... Setting up libhdf5-cpp-310:amd64 (1.14.5+repack-3) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up libctl-dev:amd64 (4.5.1-3) ... Setting up libkrb5-dev:amd64 (1.21.3-4) ... Setting up libamdhip64-5 (5.7.1-5+b1) ... Setting up libcurl4-openssl-dev:amd64 (8.12.1-3) ... Setting up python3-h5py (3.13.0-1) ... Setting up libhdf5-hl-cpp-310:amd64 (1.14.5+repack-3) ... Setting up libhdf5-hl-fortran-310:amd64 (1.14.5+repack-3) ... Setting up libucx0:amd64 (1.18.1+ds-1) ... Setting up libhdf5-dev (1.14.5+repack-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libopenmpi40:amd64 (5.0.7-1) ... Setting up libhdf5-openmpi-310:amd64 (1.14.5+repack-3) ... Setting up mpb (1.11.1-6+b2) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Processing triggers for libc-bin (2.40-7) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:236: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "amd64" = "i386" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether sleep supports fractional seconds... yes checking filesystem timestamp resolution... 0.01 checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking xargs -n works... yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for x86_64-linux-gnu-gcc... x86_64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether x86_64-linux-gnu-gcc accepts -g... yes checking for x86_64-linux-gnu-gcc option to enable C11 features... none needed checking whether x86_64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of x86_64-linux-gnu-gcc... none checking for x86_64-linux-gnu-g++... x86_64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether x86_64-linux-gnu-g++ accepts -g... yes checking for x86_64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of x86_64-linux-gnu-g++... none checking whether x86_64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... x86_64-pc-linux-gnu checking host system type... x86_64-pc-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by x86_64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/x86_64-linux-gnu-nm -B checking the name lister (/usr/bin/x86_64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert x86_64-pc-linux-gnu file names to x86_64-pc-linux-gnu format... func_convert_file_noop checking how to convert x86_64-pc-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for file... file checking for x86_64-linux-gnu-objdump... x86_64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for x86_64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for x86_64-linux-gnu-ranlib... x86_64-linux-gnu-ranlib checking for x86_64-linux-gnu-ar... x86_64-linux-gnu-ar checking for archiver @FILE support... @ checking for x86_64-linux-gnu-strip... x86_64-linux-gnu-strip checking command to parse /usr/bin/x86_64-linux-gnu-nm -B output from x86_64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for x86_64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if x86_64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for x86_64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-gcc static flag -static works... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... 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(cached) yes checking whether the gfortran linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl_intel_lp64... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... no checking for sys/time.h... yes checking for immintrin.h... yes checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python3... /usr/bin/python3 checking for python version... 3.13 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.13/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.13/site-packages checking for Python include directory... /usr/include/python3.13 checking for Python.h... yes checking for Numpy include directory... /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build make -j42 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' /bin/bash ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 81 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); | ^~ step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); | ^~~ step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; | ^~~ meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] 120 | switch (d) { | ^~~~~~ boundaries.cpp:128:5: note: here 128 | case D3: | ^~~~ In file included from fields.cpp:25: meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] 2255 | timing_scope working_on; | ^~~~~~~~~~ meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] 1744 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:32:1: warning: when initialized here [-Wreorder] 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, | ^~~~~~ step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; | ^~~ meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] 1506 | double beta; | ^~~~ meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] 1505 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:242:1: warning: when initialized here [-Wreorder] 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, | ^~~~~~~~~~~~ step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && x86_64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a") libtool: link: x86_64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 817 (offset 66 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36083 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36148 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36209 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare] 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: x86_64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1644: Warning 362: operator= ignored ../src/meep.hpp:1644: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.29.0'" >> __init__.py if [[ "4.3.0" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.3.0" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7530 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7532 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7576 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter] 7577 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7590 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter] 25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter] 126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter] 126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter] 126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter] 126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter] 126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter] 126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter] 126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' echo amd64 amd64 if [ "amd64" = "armel" ] || \ [ "amd64" = "riscv64" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time 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-L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py FAIL: tests/test_mode_decomposition.py PASS: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py FAIL: tests/test_pml_cyl.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py PASS: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_verbosity_mgr.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log for debugging. ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: *** [Makefile:1254: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: *** [Makefile:1318: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: *** [Makefile:1320: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . ./src ./src/meepgeom.cpp ./src/libmeep.la ./src/output_directory.lo ./src/casimir.o ./src/multilevel-atom.cpp ./src/h5fields.o ./src/structure.lo ./src/material_data.hpp ./src/vec.lo ./src/GDSIIgeom.o ./src/random.o ./src/step.o ./src/fields_dump.o ./src/time.o ./src/h5file.o ./src/sphere-quad.cpp ./src/update_pols.lo ./src/initialize.cpp ./src/fix_boundary_sources.o ./src/susceptibility.o ./src/material_data.o ./src/meepgeom.o ./src/stress.o ./src/dft_ldos.cpp 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./doc/docs/Scheme_Tutorials/Multilevel_Atomic_Susceptibility.md ./doc/docs/Scheme_Tutorials/Casimir_Forces.md ./doc/docs/Scheme_Tutorials/Local_Density_of_States.md ./doc/docs/Scheme_Tutorials/Cylindrical_Coordinates.md ./doc/docs/Scheme_Tutorials/Custom_Source.md ./doc/docs/Scheme_Tutorials/Gyrotropic_Media.md ./doc/docs/Scheme_Tutorials/Optical_Forces.md ./doc/docs/Scheme_Tutorials/Material_Dispersion.md ./doc/docs/Scheme_Tutorials/Basics.md ./doc/docs/Scheme_Tutorials/Third_Harmonic_Generation.md ./doc/docs/License_and_Copyright.md ./doc/generate_py_api.py ./doc/meep-logos.svg ./compile ./.gitattributes ./config.log ./monkeytype.sqlite3 ./.flake8 ./config.guess ./Makefile.in ./py-compile ./codecov.yml ./configure.ac ./contrib ./contrib/build-meep.sh ./.travis.yml ./NEWS.md ======================================== meep 1.29.0: python/test-suite.log ======================================== # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 System information (uname -a): Linux 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" VERSION_CODENAME=trixie ID=debian HOME_URL="https://www.debian.org/" SUPPORT_URL="https://www.debian.org/support" BUG_REPORT_URL="https://bugs.debian.org/" .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-usksy2xp because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8967 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-z_w0tpbr because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.4279 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-a2__w8ki because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2108 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-v_fwq5wc because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0037 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-fvvg9p9z because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0013 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-s81jy622 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2292 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ug54u6zi because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2158 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-6w63qf2r because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepFBAM2J/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018837451934814453 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525806 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653589 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.22742070896945 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595338 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.9599758521139403 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209035 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.880767945096899 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484458 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680406 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288497 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595174 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692499949 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.834767852380851 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477671 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347114 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531659 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026499 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416982 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360684 (0.00776977% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320745163302405 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030389 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035343 (0.00161738% change) linmin: converged after 5 iterations. iteration 24: trace = 0.8320296693273969 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490102705 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.8320231011390544 (0.000282188% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320218176827517 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241197 (9.04494e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 0.8320205764596332 (5.87322e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320203215524494 (3.06371e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8320202068535008 (1.37856e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439113906 (7.56497e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056783553 (4.59521e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829984286 (2.72589e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693469976 (1.64076e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200636022761 (6.90455e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8320200604496077 (3.78917e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8320200588885587 (1.87622e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8320200580360416 (1.02464e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200576147473 (5.06351e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8320200574061605 (2.50699e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8320200572926093 (1.36476e-08% change) linmin: converged after 7 iterations. iteration 43: trace = 0.8320200572316058 (7.33198e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981696 (4.01867e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8320200571762061 (2.63979e-09% change) linmin: converged after 7 iterations. iteration 46: trace = 0.8320200571626003 (1.63527e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8320200571545779 (9.64203e-10% change) linmin: converged after 8 iterations. iteration 48: trace = 0.8320200571500291 (5.46718e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 0.8320200571472443 (3.34713e-10% change) linmin: converged after 6 iterations. iteration 50: trace = 0.8320200571454032 (2.21279e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 0.832020057144456 (1.13835e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.12105560302734375 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073580264 (1.48851% change) linmin: converged after 7 iterations. iteration 2: trace = 0.836415826892428 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576179084 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.834249341372225 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.832750686725621 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.831802239248742 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193315808 (0.0574123% change) linmin: converged after 7 iterations. iteration 8: trace = 0.8309940498476012 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497537 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965058 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188765283 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030385 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818053 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313088 (0.00170449% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8305386872319385 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462615 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791161 (0.000176617% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8305331675841146 (0.000114805% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8305322746123354 (3.69061e-05% change) linmin: converged after 13 iterations. iteration 21: trace = 0.8305320916748298 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893367 (1.07986e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8305319557055921 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924425 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092434 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197279 (1.43155e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8305318965921994 (9.18391e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8305318905537223 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8305318875556134 (3.60987e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8305318858786975 (2.01909e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8305318849630977 (1.10243e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.83053188455333 (4.9338e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8305318842111979 (4.11943e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8305318840358373 (2.11143e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8305318839403597 (1.1496e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001316 (4.84366e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8305318838746908 (3.06319e-09% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8305318838577103 (2.04454e-09% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8305318838472715 (1.25688e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 0.8305318838419795 (6.37181e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 0.8305318838394076 (3.09674e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8305318838374596 (2.34548e-10% change) linmin: converged after 11 iterations. iteration 43: trace = 0.8305318838359883 (1.77148e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.8305318838350267 (1.15777e-10% change) linmin: converged after 13 iterations. iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.16572952270507812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601013094 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083119653 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664943838 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918506055 (0.119613% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8311832900374694 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.830643239426455 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416616999911 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132785964 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559959648 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450117425 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209969028 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236590538 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420166465 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420039 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940682 (0.00049413% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8299288478334288 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859864951 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864058952 (0.000144541% change) linmin: converged after 3 iterations. iteration 19: trace = 0.829925065824703 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651354 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997327 (3.22397e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8299242050799012 (2.08236e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8299241006170164 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288709488 (8.6449e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8299239857346408 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673494 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095064 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817773 (6.17855e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8299239486790267 (2.53367e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8299239474471359 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467744979 (8.10482e-08% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8299239462912057 (5.82333e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822301 (2.51801e-08% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8299239459468974 (1.63066e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8299239458765889 (8.47168e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.829923945819853 (6.83628e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 0.8299239457895662 (3.64934e-09% change) linmin: converged after 18 iterations. iteration 38: trace = 0.8299239457730854 (1.98582e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.829923945762245 (1.30618e-09% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8299239457533897 (1.06701e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8299239457488127 (5.51497e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8299239457466062 (2.65863e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457753 (1.00117e-10% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.16238093376159668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710375606 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464026576 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214250784 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434686574 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199989654 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396397916 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310408798 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777512345 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.828853635231303 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540905853 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8284802606975388 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573576957 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933128 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330452679 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017525594 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886158 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625777 (0.000707472% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8282850045905191 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111423 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842404 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330931 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972714 (4.1017e-05% change) linmin: converged after 10 iterations. iteration 23: trace = 0.8282810615722169 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635211562 (1.18379e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507056 (6.69706e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8282808797258175 (3.41972e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907806 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640866 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579752 (7.37203e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817696 (4.07616e-07% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8282808435852023 (2.53123e-07% change) linmin: converged after 22 iterations. iteration 32: trace = 0.8282808424976615 (1.31301e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8282808418243516 (8.12901e-08% change) linmin: converged after 26 iterations. iteration 34: trace = 0.8282808413684954 (5.50364e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.828280841140105 (2.7574e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8282808410003677 (1.68708e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8282808409003379 (1.20768e-08% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8282808408204219 (9.64843e-09% change) linmin: converged after 23 iterations. iteration 39: trace = 0.8282808407815202 (4.69668e-09% change) linmin: converged after 20 iterations. iteration 40: trace = 0.8282808407436588 (4.57108e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 0.8282808407148377 (3.47964e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 0.8282808406920071 (2.75637e-09% change) linmin: converged after 20 iterations. iteration 43: trace = 0.8282808406803962 (1.40181e-09% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8282808406737897 (7.97615e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 0.8282808406704854 (3.98942e-10% change) linmin: converged after 20 iterations. iteration 46: trace = 0.8282808406687542 (2.09008e-10% change) linmin: converged after 16 iterations. iteration 47: trace = 0.8282808406678079 (1.14242e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.17856550216674805 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8297766891069731 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684665089 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084565217 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488851038 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.821302982849101 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591654698 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8200782988766928 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796506 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501049 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872542 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404151 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298404 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611286 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377106 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623282 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744633 (0.000194331% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8195753474397358 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742771 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734993 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048918 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680505 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620216 (2.88028e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8195746392254358 (1.29782e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8195746328348417 (7.79745e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8195746295494712 (4.00863e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.819574628150167 (1.70735e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.819574627240056 (1.11047e-07% change) linmin: converged after 13 iterations. iteration 29: trace = 0.8195746268100962 (5.24613e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8195746264084744 (1.34678e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 0.819574626315677 (1.13226e-08% change) linmin: converged after 21 iterations. iteration 33: trace = 0.8195746262714604 (5.39507e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8195746262510977 (2.48455e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8195746262406685 (1.27252e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 0.8195746262340663 (8.0556e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8195746262311594 (3.54684e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8195746262301516 (1.2296e-10% change) linmin: converged after 14 iterations. iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.1468966007232666 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200978 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160611 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594326705 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531225 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327961 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218349 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190501 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418244 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.815302039455432 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511838 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958286 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8152664896382907 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375412 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738085 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303294074 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119021 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347021 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120725 (1.73837e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8152593920835799 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039602 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987894 (2.72369e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8152593247016553 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087749 (9.06813e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254384 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047849 (2.23322e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8152593112736251 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092139 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.815259310849337 (1.96106e-08% change) linmin: converged after 14 iterations. iteration 29: trace = 0.8152593107911468 (7.13763e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8152593107576603 (4.10746e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456161 (1.47735e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8152593107377915 (9.59772e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8152593107338367 (4.85088e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317029 (2.61739e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.815259310730681 (1.2534e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.13326263427734375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.821370409986769 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691139 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603227 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631808 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594185 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067763 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413469 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.810170532140577 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866153 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.810127159684356 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539548 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189375 (0.000599572% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8101112551273704 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752453 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151842 (8.32554e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101090557261186 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543414 (5.14029e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8101088443461926 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233447 (1.2866e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101088287653664 (6.36702e-07% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8101088257061433 (3.77631e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653309 (2.2723e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101088226655317 (1.48103e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8101088219921039 (8.31281e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8101088216435341 (4.30275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8101088214253348 (2.69346e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419818 (1.02891e-08% change) linmin: converged after 7 iterations. iteration 31: trace = 0.810108821310263 (3.91538e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101088212925489 (2.18663e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8101088212829828 (1.18084e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101088212792965 (4.55034e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8101088212770267 (2.80191e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8101088212756522 (1.69663e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8101088212748287 (1.01647e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.1491236686706543 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711280252 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969772575 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.805333055837807 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609682 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835426756 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843842 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577098 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265869 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041444 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698008 (0.00357167% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8027995733459991 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323363 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539709 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8027839219051784 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.802783473220715 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213433 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655302 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738787 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936691 (2.14008e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027830866479161 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597426 (8.58037e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027830760515264 (4.6192e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8027830736191417 (3.02994e-07% change) linmin: converged after 23 iterations. iteration 25: trace = 0.8027830724307849 (1.4803e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.802783071757542 (8.38636e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027830715079969 (3.1085e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 0.8027830713939035 (1.42122e-08% change) linmin: converged after 12 iterations. iteration 29: trace = 0.8027830713270424 (8.32866e-09% change) linmin: converged after 22 iterations. iteration 30: trace = 0.802783071298987 (3.49477e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027830712879676 (1.37265e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8027830712796175 (1.04014e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027830712735204 (7.59484e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713145 (2.74782e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 0.8027830712698051 (1.88028e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027830712687665 (1.29377e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.13640975952148438 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225888147 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588192878 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136602734 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724598679 (0.0823728% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8032567356251885 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650606 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048993 (0.0128625% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8028182815775589 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785095 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407243 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526494 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8027279829144561 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143823 (0.000511108% change) linmin: converged after 5 iterations. iteration 14: trace = 0.802721142098596 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384176 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701811 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596904 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591474 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781742 (1.27419e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027157420448232 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436422 (4.07382e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027156963900606 (1.61372e-06% change) linmin: converged after 21 iterations. iteration 24: trace = 0.8027156897719048 (8.24471e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140719 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301813 (1.97317e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538276 (8.42582e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8027156842766803 (5.94416e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251533 (3.13345e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8027156839051051 (1.49553e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.802715683853704 (6.4034e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8027156838186866 (4.36236e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027156837999561 (2.3334e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8027156837942564 (7.10048e-10% change) linmin: converged after 12 iterations. iteration 35: trace = 0.8027156837904589 (4.73084e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027156837880033 (3.0591e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027156837870201 (1.22486e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.14573884010314941 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.81552943763693 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522678332 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935487387 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331387632 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607972 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564982 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115423182 (0.0223593% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8114739977365056 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433781 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799227 (0.0086925% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8112504355243503 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173142 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.811182625400972 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.811159352366833 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100563 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139368 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057771 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456813 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274568 (0.000102883% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8111290114631671 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725699 (3.03516e-05% change) linmin: converged after 12 iterations. iteration 22: trace = 0.8111286057812002 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.811128523442616 (1.01511e-05% change) linmin: converged after 22 iterations. iteration 24: trace = 0.8111284687544931 (6.74223e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8111284433477544 (3.13227e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222031219 (2.60682e-06% change) linmin: converged after 25 iterations. iteration 27: trace = 0.8111284113560471 (1.33728e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028316927 (1.05093e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915548 (4.98089e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.811128396788974 (2.46888e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216868 (1.56238e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8111283948185326 (8.66884e-08% change) linmin: converged after 20 iterations. iteration 33: trace = 0.8111283945321667 (3.53046e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54753e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8111283943165311 (1.11094e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 0.8111283942752683 (5.08708e-09% change) linmin: converged after 11 iterations. iteration 37: trace = 0.8111283942632429 (1.48255e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8111283942557574 (9.22845e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508327 (6.07145e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481882 (3.26034e-10% change) linmin: converged after 14 iterations. iteration 41: trace = 0.8111283942468087 (1.70066e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.16057658195495605 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269209446 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.827355026462319 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782056244 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101628934576 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222279177 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425231913 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507087041 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802243929 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695642303 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191261524 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287639451 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982961504 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353220518 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211850548 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771352076 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953720222 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570076447 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360017697 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855886204 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002105967 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754427954 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292129 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947454 (0.000353121% change) linmin: converged after 5 iterations. iteration 24: trace = 0.819074813932527 (0.000280372% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8190737905148688 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722773 (9.79085e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8190726416047907 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469594 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325828 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223058891 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361974 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506279 (1.67086e-06% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8190722717209055 (1.00476e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8190722641677792 (9.22156e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175836 (8.85172e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8190722523986513 (5.51714e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 0.8190722470126113 (6.57578e-07% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8190722404773005 (7.97892e-07% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8190722358112574 (5.69674e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.819072232713411 (3.78214e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8190722304560768 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582339 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638572 (1.21403e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8190722275599032 (7.37364e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229287 (2.89321e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693907 (1.87454e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8190722271071549 (7.59833e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 0.8190722270707881 (4.44e-09% change) linmin: converged after 8 iterations. iteration 49: trace = 0.8190722270585117 (1.49882e-09% change) linmin: converged after 9 iterations. iteration 50: trace = 0.8190722270528314 (6.93496e-10% change) linmin: converged after 2 iterations. iteration 51: trace = 0.8190722270495938 (3.9528e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8190722270481847 (1.72036e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.2035372257232666 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723246575208 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838459059703 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719752377973 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500822182408 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308842095282 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449349130132 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055812011 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668461114 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147433555 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758596253 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572251591 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869969691 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838527378 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495612961 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.809029904831553 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961709383 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.809014953258021 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585544 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828483 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490818 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733325 (3.89828e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8090112622133538 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213241 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767132 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273191 (1.84786e-06% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8090111376871489 (1.4759e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8090111299481237 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591644 (8.02085e-07% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8090111190077993 (5.50223e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 0.8090111160067404 (3.70954e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8090111140715629 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8090111128405609 (1.52161e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8090111123538611 (6.01598e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8090111120761609 (3.43259e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8090111118275729 (3.07274e-08% change) linmin: converged after 9 iterations. iteration 36: trace = 0.8090111117288277 (1.22057e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8090111116923974 (4.50307e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8090111116668653 (3.15595e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8090111116513792 (1.91421e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8090111116440931 (9.00613e-10% change) linmin: converged after 8 iterations. iteration 41: trace = 0.8090111116401743 (4.84402e-10% change) linmin: converged after 7 iterations. iteration 42: trace = 0.8090111116384466 (2.13547e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8090111116376205 (1.02114e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.16277670860290527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851171028939 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273679645 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308030294 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240617594 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043904985 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308346033 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147946 (0.0192663% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8101854245831668 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830516069 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445535005 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717303 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865759 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483951 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435783 (5.98732e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101016896360241 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582977 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593606 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005625 (2.94516e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 0.8101014766732861 (1.22544e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101014719162731 (5.87212e-07% change) linmin: converged after 9 iterations. iteration 22: trace = 0.8101014694525351 (3.04127e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101014680412499 (1.74211e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8101014671897433 (1.05111e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101014666458746 (6.71359e-08% change) linmin: converged after 21 iterations. iteration 26: trace = 0.8101014663668955 (3.44375e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.810101466265404 (1.25282e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 0.81010146620943 (6.90951e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8101014661850824 (3.0055e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8101014661721246 (1.59952e-09% change) linmin: converged after 10 iterations. iteration 31: trace = 0.8101014661683203 (4.69607e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8101014661663729 (2.40395e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8101014661650514 (1.63128e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.13000011444091797 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8384802898745893 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911062945 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232297395 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100239 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8273222532323038 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608251799 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.825746249526539 (0.0654359% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8254198265356778 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616752 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.825060638482868 (0.0156616% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8249885908464127 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823401 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650685 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087209 (0.00138894% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8249097450566564 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163058 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750687 (0.000252458% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724941 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074979 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447533 (2.18405e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8249015845869493 (1.16084e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8249015344706894 (6.07542e-06% change) linmin: converged after 29 iterations. iteration 24: trace = 0.8249015089280828 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902014 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.824901488614488 (7.60783e-07% change) linmin: converged after 20 iterations. iteration 27: trace = 0.8249014853873696 (3.91213e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8249014836509936 (2.10495e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636325 (1.07572e-07% change) linmin: converged after 18 iterations. iteration 30: trace = 0.8249014823775741 (4.68005e-08% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8249014822007897 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.824901482090505 (1.33694e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8249014820217438 (8.33568e-09% change) linmin: converged after 17 iterations. iteration 34: trace = 0.8249014819930198 (3.48212e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693661 (2.86746e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.824901481953956 (1.86812e-09% change) linmin: converged after 29 iterations. iteration 37: trace = 0.8249014819460345 (9.60289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.824901481942062 (4.81571e-10% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8249014819395264 (3.07387e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8249014819380522 (1.78707e-10% change) linmin: converged after 19 iterations. iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.15881705284118652 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504591123 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126043947 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944515184 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8335042421908354 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937665399 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220851 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782410276 (0.0557151% change) linmin: converged after 4 iterations. iteration 8: trace = 0.829643818342118 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716858 (0.0169034% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8294292605779853 (0.00896136% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8293938184228483 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030893 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786953 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962766 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035652 (0.000263575% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.829360506372306 (7.26427e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8293602062721993 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222398 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560092 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100364 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795793 (3.76561e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8293598817828403 (1.97704e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8293598714059208 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872627 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133634 (3.34463e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8293598612781703 (1.85106e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.829359860406113 (1.05148e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8293598600266681 (4.57515e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.829359859880868 (1.75798e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8293598598147822 (7.96829e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8293598597813754 (4.02803e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8293598597669891 (1.73462e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 0.8293598597619863 (6.03209e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 0.8293598597589525 (3.658e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8293598597571552 (2.16714e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 0.8293598597560862 (1.28899e-10% change) linmin: converged after 12 iterations. iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.15035033226013184 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244383111 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022391054 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479244907 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672427864 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545398473 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568487466 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065786069 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793125117 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396589 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982039 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237533 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855955 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853659 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258959 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047004 (0.000387298% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8320220385837229 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606001 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344799 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623704 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730953 (1.56353e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8320201840423713 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422794 (5.54074e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320200998172955 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733774 (3.10617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921723 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872655 (4.21253e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 6 iterations. iteration 28: trace = 0.8320200583654859 (1.64481e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.832020057676187 (8.28464e-08% change) linmin: converged after 26 iterations. iteration 30: trace = 0.8320200574763273 (2.4021e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161713 (1.92491e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89362e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976759 (4.34827e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200571735464 (2.90011e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.832020057159289 (1.7136e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 0.832020057152568 (8.07788e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484557 (4.94251e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8320200571461506 (2.77055e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8320200571449828 (1.40349e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.0892341136932373 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839493 at Vector3<0.5, 0.0, 0.0> to 0.365115253765172 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.3071498340039349 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714739 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 2.3978397846221924 done /tmp/meepFBAM2J/test_anisotropic_2d_gap-0: 2.40s /tmp/meepFBAM2J/test_attribute_accessors-0 ======================== /tmp/meepFBAM2J/test_attribute_accessors-0: 0.00s /tmp/meepFBAM2J/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.00022077560424804688 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 27.80144625042668 (180.5% change) linmin: converged after 16 iterations. iteration 2: trace = 19.82418800058347 (33.4999% change) linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 53.3333%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) iteration 7: trace = 18.62909560171773 (0.000350373% change) iteration 8: trace = 18.62908847487772 (3.82565e-05% change) iteration 9: trace = 18.62908778007814 (3.72965e-06% change) iteration 10: trace = 18.62908770043223 (4.27535e-07% change) iteration 11: trace = 18.62908769519267 (2.81257e-08% change) iteration 12: trace = 18.62908769492712 (1.42543e-09% change) iteration 13: trace = 18.62908769487256 (2.92889e-10% change) iteration 14: trace = 18.62908769486296 (5.15293e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.0020880699157714844 total elapsed time for run: 0.0023620128631591797 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 .Outputting fields to /tmp/meepFBAM2J/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepFBAM2J/test_bragg-0: 0.01s /tmp/meepFBAM2J/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.003334522247314453 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 17 iterations. iteration 1: trace = 17.30275056402841 (175.314% change) linmin: converged after 9 iterations. iteration 2: trace = 11.97603738636608 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626017051 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486916847 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618325 (0.0540165% change) linmin: converged after 6 iterations. iteration 6: trace = 11.08249596623342 (0.00433692% change) linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 56.5217%) iteration 7: trace = 11.08219937792932 (0.00267622% change) iteration 8: trace = 11.080392850722 (0.0163025% change) iteration 9: trace = 11.07371100354852 (0.0603215% change) iteration 10: trace = 11.07251024800463 (0.0108439% change) iteration 11: trace = 11.07220229832265 (0.00278125% change) iteration 12: trace = 11.07213750357019 (0.000585204% change) iteration 13: trace = 11.07212372583534 (0.000124436% change) iteration 14: trace = 11.07210662375196 (0.000154461% change) iteration 15: trace = 11.07200618513988 (0.000907136% change) iteration 16: trace = 11.07178853906114 (0.00196575% change) iteration 17: trace = 11.07169462080939 (0.00084827% change) iteration 18: trace = 11.07167952477866 (0.000136348% change) iteration 19: trace = 11.07167805420032 (1.32823e-05% change) iteration 20: trace = 11.07167785750308 (1.77658e-06% change) iteration 21: trace = 11.07167775260546 (9.47441e-07% change) iteration 22: trace = 11.07167747653739 (2.49346e-06% change) iteration 23: trace = 11.07167663022426 (7.64395e-06% change) iteration 24: trace = 11.07167507867053 (1.40137e-05% change) iteration 25: trace = 11.07167457522155 (4.54718e-06% change) iteration 26: trace = 11.07167454094441 (3.09593e-07% change) iteration 27: trace = 11.07167453787443 (2.77283e-08% change) iteration 28: trace = 11.07167453688923 (8.89838e-09% change) iteration 29: trace = 11.07167453601795 (7.86945e-09% change) iteration 30: trace = 11.07167453215181 (3.49192e-08% change) iteration 31: trace = 11.07167452172307 (9.41929e-08% change) iteration 32: trace = 11.07167451533867 (5.76643e-08% change) iteration 33: trace = 11.07167451387419 (1.32272e-08% change) iteration 34: trace = 11.07167451369528 (1.61595e-09% change) iteration 35: trace = 11.07167451368281 (1.1263e-10% change) iteration 36: trace = 11.07167451367712 (5.14055e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.003576517105102539 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 11.04206517571945 (0.320463% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 53.7037%) iteration 2: trace = 11.02780279959338 (0.129247% change) iteration 3: trace = 11.02771393517148 (0.000805825% change) switching back to exact line minimization large trace change predicted (0.0933476%) linmin: converged after 10 iterations. iteration 4: trace = 11.0180770514757 (0.0874261% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01665354727847 (0.0129206% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01541286571021 (0.0112625% change) linmin: converged after 7 iterations. iteration 7: trace = 11.01434823584341 (0.00966538% change) linmin: converged after 6 iterations. iteration 8: trace = 11.01353518814911 (0.00738199% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01298187990253 (0.00502402% change) linmin: converged after 5 iterations. iteration 10: trace = 11.01261166456619 (0.00336168% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01235387426688 (0.00234089% change) linmin: converged after 6 iterations. iteration 12: trace = 11.01216515220463 (0.00171375% change) linmin: converged after 6 iterations. iteration 13: trace = 11.01202044355579 (0.00131409% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01190490326328 (0.00104923% change) linmin: converged after 5 iterations. iteration 15: trace = 11.01180931248924 (0.000868071% change) linmin: converged after 5 iterations. iteration 16: trace = 11.01172766992424 (0.000741412% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01165588562031 (0.000651892% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01159104126458 (0.000588872% change) linmin: converged after 6 iterations. iteration 19: trace = 11.01153095105778 (0.000545701% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01147389088471 (0.000518187% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141842314176 (0.000503728% change) linmin: converged after 5 iterations. iteration 22: trace = 11.011363279846 (0.000500784% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01130728073259 (0.000508559% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124927568334 (0.000526779% change) linmin: converged after 5 iterations. iteration 25: trace = 11.01118810420657 (0.000555538% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01112256970498 (0.000595165% change) linmin: converged after 6 iterations. iteration 27: trace = 11.01105142821515 (0.00064609% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01097339242094 (0.000708707% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01088715131547 (0.000783232% change) linmin: converged after 5 iterations. iteration 30: trace = 11.0107914060294 (0.000869555% change) linmin: converged after 6 iterations. iteration 31: trace = 11.0106849180708 (0.000967128% change) linmin: converged after 6 iterations. iteration 32: trace = 11.01056656925716 (0.00107486% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01043541364287 (0.00119119% change) linmin: converged after 6 iterations. iteration 34: trace = 11.01029074206602 (0.00131396% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01013213672338 (0.00144053% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995953386277 (0.00156769% change) linmin: converged after 5 iterations. iteration 37: trace = 11.00977329311963 (0.00169158% change) linmin: converged after 5 iterations. iteration 38: trace = 11.00957423839051 (0.001808% change) linmin: converged after 6 iterations. iteration 39: trace = 11.00936387282796 (0.00191077% change) linmin: converged after 5 iterations. iteration 40: trace = 11.00914432759653 (0.00199419% change) linmin: converged after 6 iterations. iteration 41: trace = 11.0089183703355 (0.00205247% change) linmin: converged after 9 iterations. iteration 42: trace = 11.00868924182022 (0.00208132% change) linmin: converged after 5 iterations. iteration 43: trace = 11.00846045179156 (0.00207829% change) linmin: converged after 8 iterations. iteration 44: trace = 11.00823497316162 (0.00204825% change) linmin: converged after 6 iterations. iteration 45: trace = 11.00801560513369 (0.00199278% change) linmin: converged after 7 iterations. iteration 46: trace = 11.00780404143223 (0.00192192% change) linmin: converged after 8 iterations. iteration 47: trace = 11.00760148329401 (0.00184015% change) linmin: converged after 7 iterations. iteration 48: trace = 11.0074082746179 (0.00175524% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00722432784486 (0.00167113% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704921934516 (0.00159086% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00688244550208 (0.00151517% change) linmin: converged after 6 iterations. iteration 52: trace = 11.00672333233266 (0.00144559% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00657129813051 (0.00138129% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00642574585819 (0.00132242% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00628616129125 (0.00126822% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00615208952206 (0.00121815% change) linmin: converged after 7 iterations. iteration 57: trace = 11.0060231674577 (0.00117137% change) linmin: converged after 7 iterations. iteration 58: trace = 11.00589908318859 (0.00112743% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577957932565 (0.00108582% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00566444576149 (0.00104612% change) linmin: converged after 5 iterations. iteration 61: trace = 11.00555350795941 (0.00100801% change) linmin: converged after 7 iterations. iteration 62: trace = 11.00544661922243 (0.00097123% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00534365311074 (0.000935597% change) linmin: converged after 5 iterations. iteration 64: trace = 11.00524449516395 (0.000901002% change) linmin: converged after 7 iterations. iteration 65: trace = 11.00514903761223 (0.000867386% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505717735739 (0.000834706% change) linmin: converged after 8 iterations. iteration 67: trace = 11.0049688034358 (0.000803033% change) linmin: converged after 5 iterations. iteration 68: trace = 11.00488380735937 (0.000772346% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00480207443335 (0.0007427% change) resetting CG direction... large trace change predicted (0.115632%) linmin: converged after 6 iterations. iteration 70: trace = 10.99201754160869 (0.11624% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99061975130357 (0.0127172% change) linmin: converged after 5 iterations. iteration 72: trace = 10.98948395851989 (0.0103347% change) linmin: converged after 7 iterations. iteration 73: trace = 10.98818699095862 (0.0118026% change) linmin: converged after 11 iterations. iteration 74: trace = 10.98802561718052 (0.00146862% change) linmin: converged after 5 iterations. iteration 75: trace = 10.98801515922397 (9.5176e-05% change) linmin: converged after 6 iterations. iteration 76: trace = 10.98801412710668 (9.39312e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 10.9880140963487 (2.79923e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 10.9880140931361 (2.92373e-08% change) linmin: converged after 5 iterations. iteration 79: trace = 10.98801409314922 (1.19437e-10% change) large trace change predicted (5.39425e-10%) linmin: converged after 3 iterations. iteration 80: trace = 10.98801409312087 (2.58079e-10% change) large trace change predicted (7.16165e-10%) linmin: converged after 3 iterations. iteration 81: trace = 10.98801409307904 (3.80652e-10% change) linmin: converged after 4 iterations. iteration 82: trace = 10.9880140930625 (1.50557e-10% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409297193 (8.24272e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 10.98801409292646 (4.13793e-10% change) linmin: converged after 10 iterations. iteration 85: trace = 10.98801409301239 (7.82062e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 10.98801409290933 (9.37953e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 10.98801409288131 (2.54991e-10% change) linmin: converged after 5 iterations. iteration 88: trace = 10.98801409291042 (2.64901e-10% change) linmin: converged after 4 iterations. iteration 89: trace = 10.98801409287826 (2.92707e-10% change) linmin: converged after 5 iterations. iteration 90: trace = 10.98801409291454 (3.30213e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 10.98801409295369 (3.56306e-10% change) linmin: converged after 36 iterations. iteration 92: trace = 10.98801409307939 (1.14399e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 10.98801409310837 (2.63705e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 10.98801409306274 (4.15248e-10% change) linmin: converged after 6 iterations. iteration 95: trace = 10.98801409297453 (8.02787e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 10.98801409293285 (3.79359e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 10.98801409293285 (0% change) Finished solving for bands 1 to 8 after 97 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.015934228897094727 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.9037604689753 (0.00793522% change) linmin: converged after 3 iterations. iteration 2: trace = 10.90359830953052 (0.0014872% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 57.2222%) iteration 3: trace = 10.90350960476494 (0.00081354% change) iteration 4: trace = 10.90345231130984 (0.00052546% change) iteration 5: trace = 10.90344655642725 (5.27804e-05% change) iteration 6: trace = 10.90344608673124 (4.30778e-06% change) iteration 7: trace = 10.90344605028353 (3.34277e-07% change) iteration 8: trace = 10.9034460484781 (1.65583e-08% change) iteration 9: trace = 10.90344604785685 (5.69775e-09% change) iteration 10: trace = 10.90344604734796 (4.66725e-09% change) iteration 11: trace = 10.90344604730576 (3.86993e-10% change) iteration 12: trace = 10.90344604730431 (1.33103e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0014896392822265625 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874319248099 (0.00713652% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179318098 (0.000844047% change) linmin: converged after 4 iterations. iteration 3: trace = 10.82863914684248 (0.000116786% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201438445 (6.58666e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384864 (1.42265e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630221 (1.27021e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.7066e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.001608133316040039 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066029 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235572 (0.000755387% change) linmin: converged after 5 iterations. iteration 3: trace = 10.76374658323257 (5.80571e-05% change) linmin: converged after 4 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.61107e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0014677047729492188 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978468 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425318 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989464 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797975 (3.47298e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792912 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.69883e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0014226436614990234 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 5 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718303 (4.10244e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78692e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0014011859893798828 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71057e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.001399993896484375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 58.7209%) iteration 2: trace = 10.60396176516587 (0.000715115% change) iteration 3: trace = 10.60395764730977 (3.88332e-05% change) iteration 4: trace = 10.60395754101102 (1.00244e-06% change) iteration 5: trace = 10.60395753615697 (4.57758e-08% change) iteration 6: trace = 10.60395753572879 (4.03794e-09% change) iteration 7: trace = 10.60395753570917 (1.85057e-10% change) iteration 8: trace = 10.6039575357088 (3.46763e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0010957717895507812 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874334 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638349 (0.000714253% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16889e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18196e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55945e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377203 (2.93572e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.00127410888671875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80563e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34922e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491709 (1.49373e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.001260519027709961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820315 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.3064030262308451 at Vector3<0.5, 0.0, 0.0> to 0.46877485258677126 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501319671 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541647 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437279 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648147756 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025898 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.266656686185508 at Vector3<0.5, 0.0, 0.0> to 1.4970379696969367 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994651423 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910522 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072007239114 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820315) to band 2 (0.3064030262308451), 44.546421284286275% Gap from band 2 (0.46877485258677126) to band 3 (0.5466257501319671), 15.334026262491836% Gap from band 3 (0.7316504426541647) to band 4 (0.7842615905093817), 6.941187444158379% Gap from band 4 (0.9893486155437279) to band 5 (1.0240548648147756), 3.4475205401818383% Gap from band 5 (1.2440980042025898) to band 6 (1.266656686185508), 1.7969642410132252% Gap from band 6 (1.4970379696969367) to band 7 (1.5115800994651423), 0.9666982936292511% Gap from band 7 (1.7488359039910522) to band 8 (1.7581683208483643), 0.5322158890606666% total elapsed time for run: 0.03560376167297363 done /tmp/meepFBAM2J/test_bragg_sine-0: 0.04s /tmp/meepFBAM2J/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00165557861328125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14252042770385742 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43862104415893555 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09358334541320801 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08686447143554688 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10115575790405273 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15643000602722168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11791586875915527 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10086846351623535 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663654327392578 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08432149887084961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08300995826721191 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06568264961242676 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07610464096069336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1041417121887207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12189626693725586 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2521073818206787 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1149768829345703 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepFBAM2J/test_compute_field_energy-0: 2.12s /tmp/meepFBAM2J/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015666484832763672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14207863807678223 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4276158809661865 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09370088577270508 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08678150177001953 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10112285614013672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15671753883361816 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11805438995361328 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10089421272277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663034439086914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08325529098510742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08301782608032227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06577277183532715 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07752370834350586 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10425043106079102 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12186264991760254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.25205469131469727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1043541431427 done /tmp/meepFBAM2J/test_compute_group_velocity-0: 2.11s /tmp/meepFBAM2J/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016412734985351562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14267992973327637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4285774230957031 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09406447410583496 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08750224113464355 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10080623626708984 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15682148933410645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11831521987915039 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10126876831054688 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0870964527130127 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0839548110961914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08337759971618652 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06594109535217285 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07646489143371582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10452628135681152 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1221761703491211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2519662380218506 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.108715295791626 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_compute_integrals-0: 2.11s /tmp/meepFBAM2J/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.02442479133605957 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 7.793809388876705 (194.671% change) linmin: converged after 9 iterations. iteration 2: trace = 1.602644292878243 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863323821914 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732460474549 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867573 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224121 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980189 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773774 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.077841961858109 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120797 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396719 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570876 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595674 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516336 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104172 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198569 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055658 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.07491389724555 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130553 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440155 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476407 (4.21396e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283007 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 8 iterations. iteration 26: trace = 1.074908146483127 (0.000205022% change) large trace change predicted (0.000513655%) linmin: converged after 7 iterations. iteration 27: trace = 1.074902628231891 (0.000513371% change) linmin: converged after 6 iterations. iteration 28: trace = 1.07489427477573 (0.000777139% change) linmin: converged after 10 iterations. iteration 29: trace = 1.074885559294586 (0.000810825% change) linmin: converged after 7 iterations. iteration 30: trace = 1.07487875130051 (0.000633371% change) linmin: converged after 8 iterations. iteration 31: trace = 1.074871979315249 (0.000630025% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074864290605019 (0.000715317% change) linmin: converged after 6 iterations. iteration 33: trace = 1.074857335708988 (0.000647051% change) linmin: converged after 5 iterations. iteration 34: trace = 1.07485261192785 (0.000439481% change) linmin: converged after 5 iterations. iteration 35: trace = 1.074850531096997 (0.000193592% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707709224 (7.66049e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321521 (2.85052e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849273653973 (1.18777e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.074849202665489 (6.60451e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.074849166432306 (3.371e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 1.074849150238602 (1.5066e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849143714862 (6.06945e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.074849140933157 (2.588e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.074849139366229 (1.45781e-07% change) linmin: converged after 17 iterations. iteration 45: trace = 1.074849138484937 (8.19921e-08% change) linmin: converged after 17 iterations. iteration 46: trace = 1.074849138034038 (4.195e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805368 (2.12746e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074849137683473 (1.13407e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 1.074849137606193 (7.18978e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.074849137561191 (4.18686e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.074849137540538 (1.92152e-09% change) linmin: converged after 6 iterations. iteration 52: trace = 1.074849137533198 (6.82837e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.074849137531017 (2.02905e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.408428430557251 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858894969229 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649196263 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07251725089513 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267318321722 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684351104 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614527449 (0.00131225% change) linmin: converged after 6 iterations. iteration 7: trace = 1.072176813419732 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174588798702 (0.000207487% change) linmin: converged after 6 iterations. iteration 9: trace = 1.072173275804353 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792706117 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507113538 (2.66368e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.072172093433364 (3.85834e-05% change) linmin: converged after 15 iterations. iteration 13: trace = 1.072171277788257 (7.60741e-05% change) large trace change predicted (0.000180552%) linmin: converged after 3 iterations. iteration 14: trace = 1.072169342012669 (0.000180547% change) linmin: converged after 6 iterations. iteration 15: trace = 1.072167408073178 (0.000180376% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07216645616984 (8.87831e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970163146 (4.53294e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682211661 (2.6857e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408273896 (2.555e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072165207651939 (1.87118e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.072165103677908 (9.69758e-06% change) linmin: converged after 8 iterations. iteration 22: trace = 1.072165061729308 (3.91251e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577667 (1.0401e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945176 (2.4553e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308083 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160097 (1.38025e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103966 (5.23532e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.072165047075589 (2.64667e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072165047058599 (1.58468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048056 (9.83369e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.072165047042509 (5.17293e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.072165047039761 (2.56327e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072165047038644 (1.04233e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.258709192276001 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440465997937 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807425879 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667496332 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06558596722854 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753691639 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120722214 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506870622606 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504384684949 (0.000233311% change) linmin: converged after 22 iterations. iteration 9: trace = 1.065503073447468 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572100317 (4.70526e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065502157705918 (3.88919e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.065501551233871 (5.69189e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878587815 (6.31295e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065500247902232 (5.91915e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909232228 (3.17851e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690824919 (2.04981e-05% change) linmin: converged after 16 iterations. iteration 17: trace = 1.065499506928144 (1.72592e-05% change) linmin: converged after 27 iterations. iteration 18: trace = 1.065499383728825 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698607 (6.38482e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220954 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548668 (5.32359e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.06549928702242 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677923 (3.2332e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73406e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.065499286570306 (2.36607e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00357e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551558 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546964 (4.31232e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.065499286545303 (1.55817e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.22834539413452148 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504517075 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549181389 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.05750209007881 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559167011 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691612308 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876222962 (0.00130666% change) linmin: converged after 6 iterations. iteration 7: trace = 1.057292723706862 (0.000771072% change) linmin: converged after 5 iterations. iteration 8: trace = 1.057291059116352 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409956604 (6.13984e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221449912 (1.78292e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 1.057290112032823 (1.03488e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057289958938371 (1.44799e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05728978927021 (1.60475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908519 (1.27081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.05728960466556 (4.75205e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705058 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702317 (4.73167e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780873 (1.81733e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678029 (1.04309e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066725 (5.7818e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21278e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749872 (7.84065e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 1.057289581718886 (2.93067e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697567 (2.01636e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676835 (1.96087e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662599 (1.34648e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.53573e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289581655315 (1.35332e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.2204756736755371 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648812437 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285820777 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.0493148991074 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172109 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038102 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260245 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311484 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387941 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127791569493 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.04912767663003 (1.09557e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.049127634485087 (4.01714e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.049127595483644 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.04912755411629 (3.94302e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.049127517065821 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744463 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460314 (3.13036e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551344 (8.66406e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 1.049127498234714 (3.01803e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.049127497940212 (2.80711e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468461 (4.4966e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017248 (4.30084e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798791 (2.08227e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.049127496735695 (6.01412e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.049127496715389 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707378 (7.63516e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 1.04912749670408 (3.1438e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.049127496702448 (1.55582e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.21355295181274414 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345921672305 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342829177 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013898 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041500108180174 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801538 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04145683290917 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.041452129686212 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409511 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275424 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335743 (1.00763e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.041450551023692 (3.1026e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 1.041450527028449 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527927 (3.1207e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.041450435394978 (5.67794e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 1.041450384495814 (4.88733e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324394 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415189 (3.35198e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.041450255970141 (5.99597e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.041450142733955 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666066 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793363 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149661 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239027 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517449 (6.9286e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090018 (4.10418e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597004 (4.73393e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726589 (8.35772e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065749 (1.59474e-07% change) large trace change predicted (4.18902e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703093 (4.18902e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041450002242117 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 25 iterations. iteration 31: trace = 1.041449968104932 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 9 iterations. iteration 32: trace = 1.041449888871911 (7.60795e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 1.041449762143144 (1.21685e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.041449617732965 (1.38663e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 1.041449518800035 (9.49954e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 1.041449483215057 (3.41687e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 1.041449473025059 (9.78444e-07% change) linmin: converged after 11 iterations. iteration 38: trace = 1.041449470385691 (2.53432e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.041449469588858 (7.65119e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 1.041449469287297 (2.89559e-08% change) linmin: converged after 21 iterations. iteration 41: trace = 1.041449469189137 (9.42536e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 1.041449469160068 (2.79125e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449469152533 (7.23476e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.04144946915032 (2.12482e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.3395874500274658 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665397852365 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261690379781 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058206448938 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314488134805 (0.658768% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895432957606 (0.335661% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850695556537 (0.299864% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826540744309 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456631616534 (0.0365291% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302654802857 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263471429735 (0.00387079% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248752514102 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243324581168 (0.000536227% change) linmin: converged after 4 iterations. iteration 13: trace = 1.012239244019039 (0.000403121% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234290090542 (0.000489404% change) linmin: converged after 6 iterations. iteration 15: trace = 1.012226177553938 (0.000801452% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339976737 (0.00136705% change) linmin: converged after 5 iterations. iteration 17: trace = 1.012198494873001 (0.00136782% change) linmin: converged after 14 iterations. iteration 18: trace = 1.01218820498116 (0.00101659% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979191693 (0.000516288% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431890691 (0.000251664% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179050262794 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436829549 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.01217813830648 (2.94931e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609133 (1.28137e-05% change) linmin: converged after 13 iterations. iteration 25: trace = 1.012177948013639 (5.98664e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.012177914414861 (3.31945e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01217789939853 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703018 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011659 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482535 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943437 (5.32612e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797324 (1.44356e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757117 (3.97228e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.01217788574262 (1.43227e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 1.012177885736502 (6.04461e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.012177885733487 (2.97887e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731925 (1.54263e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.012177885730708 (1.2026e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.012177885728812 (1.87345e-10% change) large trace change predicted (3.79636e-10%) linmin: converged after 5 iterations. iteration 40: trace = 1.012177885724976 (3.78967e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719433 (5.47599e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.012177885715903 (3.48803e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 1.012177885714417 (1.46826e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.33191609382629395 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055187095 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.986660751679959 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345723789 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004081825 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.985572286100927 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500249424 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508570572 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633528354 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516310522371 (4.38638e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 0.9855514450623342 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230134106 (1.23838e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9855511986809358 (1.26155e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9855510508801276 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 5 iterations. iteration 14: trace = 0.9855506934426012 (3.62678e-05% change) large trace change predicted (0.000117861%) linmin: converged after 5 iterations. iteration 15: trace = 0.9855495321103869 (0.000117836% change) large trace change predicted (0.00166435%) linmin: converged after 6 iterations. iteration 16: trace = 0.9855348565365381 (0.00148909% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855133241467 (0.00500687% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692406895214 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542304755862 (0.00152317% change) linmin: converged after 8 iterations. iteration 20: trace = 0.9854392652397095 (0.00151862% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239723783296 (0.00155189% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9854083684239272 (0.00158349% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925738606739 (0.00160286% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765724013024 (0.00162388% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601687710491 (0.00166472% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431486244694 (0.00172732% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9853255014309963 (0.00179099% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075618095639 (0.0018207% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899478011016 (0.00178768% change) linmin: converged after 9 iterations. iteration 30: trace = 0.9852733012228144 (0.00168952% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580327820775 (0.00154968% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442535801191 (0.00139855% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318618943778 (0.00125774% change) linmin: converged after 6 iterations. iteration 34: trace = 0.9852206614348566 (0.00113684% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104433963962 (0.00103714% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010266450926 (0.000955816% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922707824456 (0.000888743% change) linmin: converged after 4 iterations. iteration 38: trace = 0.9851840753707002 (0.000831863% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763731873757 (0.000781804% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691215599174 (0.000736077% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622938373381 (0.000693053% change) linmin: converged after 4 iterations. iteration 42: trace = 0.985155872077998 (0.00065185% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498414783594 (0.000612149% change) linmin: converged after 7 iterations. iteration 44: trace = 0.9851441866707311 (0.000574006% change) linmin: converged after 5 iterations. iteration 45: trace = 0.985138889774108 (0.000537679% change) linmin: converged after 5 iterations. iteration 46: trace = 0.985133929523912 (0.000503509% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292818557378 (0.000471781% change) linmin: converged after 7 iterations. iteration 48: trace = 0.9851249205027524 (0.00044272% change) linmin: converged after 6 iterations. iteration 49: trace = 0.9851208179683515 (0.000416449% change) linmin: converged after 5 iterations. iteration 50: trace = 0.9851169466019023 (0.000392985% change) linmin: converged after 5 iterations. iteration 51: trace = 0.9851132794205391 (0.000372259% change) linmin: converged after 6 iterations. iteration 52: trace = 0.985109790832833 (0.000354131% change) linmin: converged after 7 iterations. iteration 53: trace = 0.98510645710795 (0.000338412% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032567005502 (0.00032488% change) linmin: converged after 8 iterations. iteration 55: trace = 0.9851001704698975 (0.000313291% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971817835199 (0.00030339% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942764892118 (0.000294925% change) linmin: converged after 6 iterations. iteration 58: trace = 0.985091442876421 (0.000287649% change) linmin: converged after 7 iterations. iteration 59: trace = 0.9850886715782785 (0.000281324% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859553938563 (0.00027573% change) linmin: converged after 6 iterations. iteration 61: trace = 0.9850832891120949 (0.000270665% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806692965066 (0.000265949% change) linmin: converged after 3 iterations. iteration 63: trace = 0.9850780940264909 (0.000261428% change) linmin: converged after 9 iterations. iteration 64: trace = 0.9850755626342055 (0.000256974% change) linmin: converged after 5 iterations. iteration 65: trace = 0.9850730754278573 (0.000252489% change) linmin: converged after 5 iterations. iteration 66: trace = 0.9850706334157524 (0.000247902% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682380418601 (0.000243168% change) linmin: converged after 6 iterations. iteration 68: trace = 0.9850658909459264 (0.000238268% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850635937430814 (0.000233203% change) resetting CG direction... large trace change predicted (0.0412899%) linmin: converged after 4 iterations. iteration 70: trace = 0.984656320909412 (0.0413534% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601746300234 (0.0199223% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 55.0263%) iteration 72: trace = 0.9843700916746623 (0.00915091% change) iteration 73: trace = 0.9843454551658701 (0.0025028% change) iteration 74: trace = 0.9843309741360176 (0.00147114% change) iteration 75: trace = 0.9843269359739925 (0.000410245% change) iteration 76: trace = 0.9843259254952034 (0.000102657% change) iteration 77: trace = 0.9843252602722019 (6.75816e-05% change) iteration 78: trace = 0.9843249585536633 (3.06523e-05% change) iteration 79: trace = 0.9843248269988087 (1.3365e-05% change) iteration 80: trace = 0.98432476421352 (6.37851e-06% change) iteration 81: trace = 0.9843247334123673 (3.12917e-06% change) iteration 82: trace = 0.984324723962157 (9.6007e-07% change) iteration 83: trace = 0.9843247200124078 (4.01265e-07% change) iteration 84: trace = 0.9843247177615019 (2.28675e-07% change) iteration 85: trace = 0.9843247140390904 (3.78169e-07% change) iteration 86: trace = 0.9843247059908917 (8.17637e-07% change) iteration 87: trace = 0.9843246878856029 (1.83936e-06% change) iteration 88: trace = 0.9843246566643047 (3.17185e-06% change) iteration 89: trace = 0.9843246205399492 (3.66996e-06% change) iteration 90: trace = 0.9843246064847049 (1.42791e-06% change) iteration 91: trace = 0.9843246017402523 (4.82001e-07% change) iteration 92: trace = 0.9843246002807224 (1.48277e-07% change) iteration 93: trace = 0.9843245999238864 (3.62519e-08% change) iteration 94: trace = 0.9843245998039818 (1.21814e-08% change) iteration 95: trace = 0.9843245997561044 (4.86398e-09% change) iteration 96: trace = 0.9843245997430989 (1.32126e-09% change) iteration 97: trace = 0.9843245997404488 (2.69231e-10% change) iteration 98: trace = 0.9843245997396497 (8.11865e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 0.7178797721862793 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769169844729 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027660893347 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165717033106 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.957943289542284 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534784129706 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743992946 (0.00511669% change) linmin: converged after 4 iterations. iteration 7: trace = 0.957678608758347 (0.00270083% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9576698781250785 (0.00091165% change) linmin: converged after 5 iterations. iteration 9: trace = 0.957662913248986 (0.000727276% change) linmin: converged after 4 iterations. iteration 10: trace = 0.957659602937796 (0.000345666% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418186148 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119794555 (0.000107537% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9576563729664611 (4.58424e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 0.957656162939267 (2.19314e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823066533 (8.41979e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.957656002306946 (8.3537e-06% change) linmin: converged after 7 iterations. iteration 17: trace = 0.9576558845368066 (1.22978e-05% change) linmin: converged after 14 iterations. iteration 18: trace = 0.9576557606442895 (1.29371e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898704878 (7.39032e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427216 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473553 (6.78257e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556586034581 (1.82101e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296465 (3.9034e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9576556581383999 (9.52812e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169042 (2.24462e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9576556581121087 (5.00754e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107256 (1.44427e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.957655658110388 (3.52547e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.21312189102172852 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872268764 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597552535 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739464183 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083740591 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896437538 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673677087 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197623502 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.94112288444301 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177224087071 (0.000548499% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9411142194217064 (0.000372216% change) linmin: converged after 4 iterations. iteration 11: trace = 0.941112530248563 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700160878 (9.1406e-05% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9411114151348848 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125577724 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.941111284045674 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731924729 (1.15323e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 0.9411112675855253 (5.95779e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112644312122 (3.35169e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729394 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571756 (2.1419e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302713 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896662 (6.8069e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179187 (1.82494e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9411112577748133 (4.58027e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644249 (1.10384e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9411112577622929 (2.26548e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9411112577617218 (6.06834e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.20547938346862793 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335951 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968411 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397272 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716024 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243538 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145816 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214865 (0.00115844% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9357260906567764 (0.00022612% change) linmin: converged after 4 iterations. iteration 9: trace = 0.935725146239474 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9357241186857101 (4.23957e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 0.9357237683382568 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170894796 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974401 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444076 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266057 (5.68309e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195156 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374931 (7.28872e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426128 (1.80158e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9357235226371344 (5.85472e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9357235226350299 (2.2491e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.07911e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9357235226332379 (8.35998e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.19082999229431152 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.953165617262801 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869299327 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825934346 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027171157 (0.0261402% change) linmin: converged after 4 iterations. iteration 5: trace = 0.945809012351682 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513593 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144911114 (0.000414304% change) linmin: converged after 4 iterations. iteration 8: trace = 0.945790828863094 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833985105 (3.65265e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9457903738934277 (1.15782e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.9457903287956939 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667367 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332844 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373142 (7.39696e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826197 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358886 (3.53856e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649575 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788865 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821105 (1.02323e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902837614043 (2.1893e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9457902837571461 (4.50221e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9457902837561442 (1.05941e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9457902837559176 (2.39584e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.17614054679870605 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564809288 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261612532 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908342476811 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141780594 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239667435 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.975287908703611 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978139 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452794883 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173619734 (0.000146413% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9752657982803785 (3.27174e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9752656737712249 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.9752655986569766 (7.70193e-06% change) linmin: converged after 9 iterations. iteration 13: trace = 0.9752655199382678 (8.07152e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9752654586050853 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667237 (2.28024e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 0.9752654288851379 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617294 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193447 (4.53604e-08% change) linmin: converged after 10 iterations. iteration 19: trace = 0.9752654264923875 (1.30177e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 0.9752654264573533 (3.59227e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9752654264468763 (1.07427e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434999 (3.46204e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424252 (1.10195e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419853 (4.51026e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.18359661102294922 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457523517 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395899646 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.02094459610308 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.01919668233618 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077777742 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746326 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208145 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585494 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501862 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.018104688377118 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639137 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304828 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799603 (1.31131e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.018103254441715 (8.18757e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 1.01810320466102 (4.88955e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 1.018103175566663 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363203 (1.39509e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.018103152357125 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246916 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530308 (2.6683e-07% change) linmin: converged after 26 iterations. iteration 21: trace = 1.018103143433505 (1.0773e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 1.018103143020114 (4.0604e-08% change) linmin: converged after 17 iterations. iteration 23: trace = 1.018103142868823 (1.48602e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.018103142826689 (4.13842e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 1.018103142813699 (1.27595e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.018103142809128 (4.48973e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01810314280708 (2.01085e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 1.018103142806047 (1.01524e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 1.018103142805611 (4.28123e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.22095894813537598 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 8 iterations. iteration 1: trace = 1.077079219748012 (2.88237% change) linmin: converged after 6 iterations. iteration 2: trace = 1.066262027914326 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961827 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691278 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208741 (0.12664% change) linmin: converged after 8 iterations. iteration 6: trace = 1.053973327355112 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128464 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305613 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805326 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622506 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787789 (0.000843361% change) linmin: converged after 6 iterations. iteration 13: trace = 1.053042139513931 (0.000482722% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053037941123152 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143506 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935649 (0.000119959% change) linmin: converged after 6 iterations. iteration 17: trace = 1.053033595937132 (4.59623e-05% change) linmin: converged after 10 iterations. iteration 18: trace = 1.053033362151743 (2.22011e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 1.053033220622913 (1.34401e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05303313618057 (8.01896e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092856717 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955626 (2.17477e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053033056567454 (1.27139e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053033050086863 (6.15421e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053033046929928 (2.99794e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 1.05303304549263 (1.36491e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053033044713365 (7.40019e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053033044195651 (4.9164e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811561 (3.64746e-08% change) linmin: converged after 20 iterations. iteration 30: trace = 1.053033043579942 (2.19954e-08% change) linmin: converged after 6 iterations. iteration 31: trace = 1.053033043469694 (1.04696e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.053033043429305 (3.83547e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 1.053033043415605 (1.30106e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.05303304341018 (5.15094e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407256 (2.77726e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.053033043404642 (2.48206e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 1.053033043402345 (2.18116e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401217 (1.07202e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.053033043400875 (3.24306e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.29489803314208984 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509191376 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680951 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602503 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402231 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.06795517723029 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.06640429646712 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105567 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340961 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.0649475047683 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340355 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630052 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322813 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598677 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751934186259 (6.12325e-05% change) linmin: converged after 25 iterations. iteration 16: trace = 1.064751716375272 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473267 (7.03469e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763334 (3.07207e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444219 (1.34483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378935 (5.69643e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06475158506594 (3.11152e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775816 (2.15085e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427317 (1.26649e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863346 (5.29674e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697915 (1.5537e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656115 (3.92579e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064751580642666 (1.26311e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.064751580638184 (4.2094e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636458 (1.6212e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635713 (6.99656e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.11437797546386719 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 10 iterations. iteration 1: trace = 1.083139123992332 (4.15252% change) linmin: converged after 5 iterations. iteration 2: trace = 1.067759464050377 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847689 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359693045 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753355 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.05451570710273 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517808 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.05401502612871 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710523 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348825 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) linmin: converged after 13 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385469 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722953 (9.07699e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.0539010423296 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387604 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297731 (1.33693e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619983 (7.28507e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320622 (5.02833e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123129 (2.0851e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524412 (5.68096e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053900986366483 (1.49853e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325057 (3.93073e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.05390098631045 (1.38595e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.053900986303705 (6.4005e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.053900986300586 (2.95933e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053900986298913 (1.58733e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053900986298101 (7.70276e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.28997802734375 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 1.065595398928638 (3.90048% change) linmin: converged after 10 iterations. iteration 2: trace = 1.055450127301297 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005027 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423635596 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863641 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910637 (0.0067956% change) linmin: converged after 6 iterations. iteration 7: trace = 1.050776389407951 (0.00415403% change) linmin: converged after 3 iterations. iteration 8: trace = 1.050735518700089 (0.00388965% change) linmin: converged after 5 iterations. iteration 9: trace = 1.050712406629304 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182157 (0.000833861% change) linmin: converged after 6 iterations. iteration 11: trace = 1.050700527947592 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774886 (9.47152e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.050699177150716 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583432 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022339 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444909 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362368 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05069895675734 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164585 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594421 (5.42652e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368865 (2.14673e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52175e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.050698954069499 (1.32745e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980487 (8.47169e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.050698953945815 (3.29984e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935615 (9.70831e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.050698953931684 (3.74118e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929972 (1.62893e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 1.050698953929235 (7.02251e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.24291276931762695 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873553 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383156 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860835 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 4 iterations. iteration 14: trace = 1.0740142217956 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483327 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 5 iterations. iteration 17: trace = 1.074006542454387 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701046233 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054646416 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865047087 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051814028 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930253217 (0.00215325% change) linmin: converged after 10 iterations. iteration 23: trace = 1.073765951854456 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099860138 (0.00184884% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549588458 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.073706652603742 (0.00185309% change) linmin: converged after 6 iterations. iteration 27: trace = 1.073686047966421 (0.00191904% change) linmin: converged after 6 iterations. iteration 28: trace = 1.073664807416834 (0.0019783% change) linmin: converged after 4 iterations. iteration 29: trace = 1.073643487495667 (0.00198573% change) linmin: converged after 6 iterations. iteration 30: trace = 1.073622932948062 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845244766 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422494262 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.073570337515781 (0.00149826% change) linmin: converged after 4 iterations. iteration 34: trace = 1.073554964133572 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629030023 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.073523800476235 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721905162 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489949913865 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300629322 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608019516 (0.00164818% change) linmin: converged after 5 iterations. iteration 41: trace = 1.073437013828229 (0.00163904% change) linmin: converged after 5 iterations. iteration 42: trace = 1.073419363942593 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253191454 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150195075 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.073361544198039 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086794205 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699796275 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605795537 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255658797 (0.00254829% change) linmin: converged after 5 iterations. iteration 50: trace = 1.073233183557536 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865296414 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643511875 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730702852 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259152683 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094338511955 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.07306809496856 (0.00244563% change) linmin: converged after 4 iterations. iteration 57: trace = 1.073042682876337 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018272479906 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024545216 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064424986 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465153288 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243592049 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368169544 (0.00166605% change) linmin: converged after 5 iterations. iteration 64: trace = 1.072898773417836 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375846549 (0.00143515% change) linmin: converged after 4 iterations. iteration 66: trace = 1.072869086925411 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855820948222 (0.0012365% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843497479269 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039536612 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 5 iterations. iteration 70: trace = 1.072198123222229 (0.0591056% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07134711808592 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541462636204 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830379659 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879036915 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565047892 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.06958204121485 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034283 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886834971 (0.000175603% change) linmin: converged after 4 iterations. iteration 79: trace = 1.069568934568026 (8.90327e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381281 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275015 (3.86236e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.06956778417198 (1.87088e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 1.069567559606762 (2.09959e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 1.069567395325875 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689847 (1.08115e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567202427431 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735025 (7.35741e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 1.069566990371044 (1.2469e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 1.069566806433107 (1.71974e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 1.069566611503709 (1.82251e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 1.069566258366281 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649806524 (5.68978e-05% change) large trace change predicted (0.000165075%) linmin: converged after 5 iterations. iteration 93: trace = 1.069563887331198 (0.000164784% change) large trace change predicted (0.000584339%) linmin: converged after 5 iterations. iteration 94: trace = 1.069557815153178 (0.000567726% change) large trace change predicted (0.00612952%) linmin: converged after 7 iterations. iteration 95: trace = 1.0695318393753 (0.00242868% change) linmin: converged after 6 iterations. iteration 96: trace = 1.069511579760979 (0.00189427% change) linmin: converged after 7 iterations. iteration 97: trace = 1.069496499929513 (0.00140998% change) linmin: converged after 6 iterations. iteration 98: trace = 1.069483717208566 (0.00119522% change) linmin: converged after 8 iterations. iteration 99: trace = 1.069471278002454 (0.00116311% change) linmin: converged after 6 iterations. iteration 100: trace = 1.069459234328299 (0.00112614% change) linmin: converged after 8 iterations. iteration 101: trace = 1.069448851818544 (0.000970823% change) linmin: converged after 6 iterations. iteration 102: trace = 1.069440423652579 (0.000788088% change) linmin: converged after 7 iterations. iteration 103: trace = 1.069433417062416 (0.000655166% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427352560829 (0.000567078% change) linmin: converged after 5 iterations. iteration 105: trace = 1.069421992889284 (0.000501173% change) linmin: converged after 5 iterations. iteration 106: trace = 1.069417238258524 (0.000444599% change) linmin: converged after 6 iterations. iteration 107: trace = 1.069413022711929 (0.000394192% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409272903281 (0.000350642% change) linmin: converged after 5 iterations. iteration 109: trace = 1.069405909086114 (0.00031455% change) linmin: converged after 9 iterations. iteration 110: trace = 1.069402857543029 (0.00028535% change) linmin: converged after 6 iterations. iteration 111: trace = 1.069400058789466 (0.000261712% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397468893129 (0.000242182% change) linmin: converged after 5 iterations. iteration 113: trace = 1.069395056336093 (0.0002256% change) linmin: converged after 5 iterations. iteration 114: trace = 1.069392796769096 (0.000211294% change) linmin: converged after 4 iterations. iteration 115: trace = 1.069390669235911 (0.000198948% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388653020932 (0.000188539% change) linmin: converged after 5 iterations. iteration 117: trace = 1.069386726767586 (0.000180127% change) linmin: converged after 5 iterations. iteration 118: trace = 1.06938486864618 (0.000173756% change) linmin: converged after 7 iterations. iteration 119: trace = 1.069383057624751 (0.000169352% change) linmin: converged after 6 iterations. iteration 120: trace = 1.069381274636213 (0.000166731% change) linmin: converged after 6 iterations. iteration 121: trace = 1.069379503886843 (0.000165586% change) linmin: converged after 6 iterations. iteration 122: trace = 1.069377733784665 (0.000165526% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375957626534 (0.000166093% change) linmin: converged after 5 iterations. iteration 124: trace = 1.069374173676397 (0.000166822% change) linmin: converged after 6 iterations. iteration 125: trace = 1.069372384828548 (0.00016728% change) linmin: converged after 6 iterations. iteration 126: trace = 1.069370597594982 (0.000167129% change) linmin: converged after 3 iterations. iteration 127: trace = 1.069368820817571 (0.000166152% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367064200896 (0.000164267% change) linmin: converged after 7 iterations. iteration 129: trace = 1.069365336945035 (0.000161521% change) linmin: converged after 5 iterations. iteration 130: trace = 1.069363646696952 (0.000158061% change) linmin: converged after 5 iterations. iteration 131: trace = 1.069361998925969 (0.000154089% change) linmin: converged after 6 iterations. iteration 132: trace = 1.069360396730828 (0.000149827% change) linmin: converged after 7 iterations. iteration 133: trace = 1.069358841023606 (0.00014548% change) linmin: converged after 7 iterations. iteration 134: trace = 1.069357330847907 (0.000141223% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355864006598 (0.00013717% change) linmin: converged after 4 iterations. iteration 136: trace = 1.069354437526572 (0.000133396% change) linmin: converged after 5 iterations. iteration 137: trace = 1.069353048109181 (0.000129931% change) linmin: converged after 3 iterations. iteration 138: trace = 1.069351692610627 (0.000126759% change) linmin: converged after 5 iterations. iteration 139: trace = 1.069350368293581 (0.000123843% change) resetting CG direction... large trace change predicted (0.0145453%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194675254351 (0.0145607% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117230253728 (0.00724356% change) linmin: converged after 3 iterations. iteration 142: trace = 1.06907543477742 (0.00390942% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028116200702 (0.00442622% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963765860093 (0.0060197% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914036709401 (0.0046522% change) linmin: converged after 5 iterations. iteration 146: trace = 1.068856703439897 (0.00536384% change) linmin: converged after 7 iterations. iteration 147: trace = 1.068800660800506 (0.00524337% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757374201714 (0.0040501% change) linmin: converged after 5 iterations. iteration 149: trace = 1.068717416830468 (0.00373875% change) linmin: converged after 5 iterations. iteration 150: trace = 1.068678930702913 (0.00360122% change) linmin: converged after 3 iterations. iteration 151: trace = 1.06865468902115 (0.0022684% change) linmin: converged after 3 iterations. iteration 152: trace = 1.068642740734154 (0.00111807% change) linmin: converged after 3 iterations. iteration 153: trace = 1.068637177274113 (0.000520611% change) linmin: converged after 4 iterations. iteration 154: trace = 1.068633794922339 (0.000316511% change) linmin: converged after 7 iterations. iteration 155: trace = 1.06863106225878 (0.000255716% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628610397833 (0.00022944% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627264760187 (0.000125922% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757593553 (4.74596e-05% change) linmin: converged after 2 iterations. iteration 159: trace = 1.068626630692736 (1.18751e-05% change) linmin: converged after 6 iterations. iteration 160: trace = 1.06862659818787 (3.04174e-06% change) linmin: converged after 7 iterations. iteration 161: trace = 1.068626583524319 (1.37219e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572372177 (1.0436e-06% change) linmin: converged after 17 iterations. iteration 163: trace = 1.068626562833234 (8.92636e-07% change) linmin: converged after 4 iterations. iteration 164: trace = 1.068626555544765 (6.82041e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.068626551016004 (4.23793e-07% change) linmin: converged after 18 iterations. iteration 166: trace = 1.068626547261434 (3.51345e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545003543 (2.11289e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 1.068626543627342 (1.28782e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 1.068626542452444 (1.09945e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540770191 (1.57422e-07% change) large trace change predicted (3.15125e-07%) linmin: converged after 3 iterations. iteration 171: trace = 1.068626537403159 (3.1508e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533718485 (3.44805e-07% change) linmin: converged after 5 iterations. iteration 173: trace = 1.068626531659319 (1.92693e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530813899 (7.91128e-08% change) linmin: converged after 4 iterations. iteration 175: trace = 1.068626530493501 (2.99822e-08% change) linmin: converged after 8 iterations. iteration 176: trace = 1.068626530327915 (1.54952e-08% change) linmin: converged after 7 iterations. iteration 177: trace = 1.068626530255735 (6.75449e-09% change) linmin: converged after 8 iterations. iteration 178: trace = 1.068626530159325 (9.02182e-09% change) large trace change predicted (2.1269e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.06862652993207 (2.12661e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 1.06862652955126 (3.56355e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 1.068626528972186 (5.41886e-08% change) linmin: converged after 13 iterations. iteration 182: trace = 1.068626528427956 (5.0928e-08% change) linmin: converged after 4 iterations. iteration 183: trace = 1.068626527725372 (6.57464e-08% change) linmin: converged after 17 iterations. iteration 184: trace = 1.068626526903829 (7.68784e-08% change) linmin: converged after 5 iterations. iteration 185: trace = 1.068626526188851 (6.69063e-08% change) linmin: converged after 22 iterations. iteration 186: trace = 1.068626525702495 (4.55123e-08% change) linmin: converged after 7 iterations. iteration 187: trace = 1.068626525446816 (2.39259e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 1.068626525377523 (6.48431e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351376 (2.44673e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.068626525337289 (1.31829e-09% change) linmin: converged after 5 iterations. iteration 191: trace = 1.068626525323919 (1.25109e-09% change) linmin: converged after 5 iterations. iteration 192: trace = 1.068626525309889 (1.31289e-09% change) linmin: converged after 3 iterations. iteration 193: trace = 1.068626525301902 (7.47403e-10% change) linmin: converged after 3 iterations. iteration 194: trace = 1.068626525299489 (2.25842e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298474 (9.49993e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 1.4533374309539795 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739673433 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277204076 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957258274913 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734906971 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252406284 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698394248 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218821799 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739470217 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188248154 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233194 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731402 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608457271 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350200989 (2.40435e-05% change) linmin: converged after 23 iterations. iteration 14: trace = 1.074119193441808 (1.45942e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074119086974381 (9.91207e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 1.074118998456916 (8.24094e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951618436 (4.36064e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564172 (1.96014e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698118 (7.32326e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.07411892043466 (2.10727e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919547777 (8.25684e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877372 (6.24144e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074118918119953 (7.05154e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268398 (7.92794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472551 (7.4093e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915070759 (1.30506e-07% change) large trace change predicted (3.47242e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911340963 (3.47242e-07% change) large trace change predicted (1.06063e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899948507 (1.06063e-06% change) large trace change predicted (3.74565e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859717751 (3.74547e-06% change) large trace change predicted (2.30255e-05%) linmin: converged after 4 iterations. iteration 30: trace = 1.074118613428314 (2.29294e-05% change) near maximum in trace linmin: converged after 16 iterations. iteration 31: trace = 1.074108656698122 (0.000926972% change) linmin: converged after 5 iterations. iteration 32: trace = 1.074107966544532 (6.42536e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 1.07410727472049 (6.44092e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 1.074106574009499 (6.52366e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.074105855523687 (6.68915e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 1.074105112605725 (6.91662e-05% change) linmin: converged after 10 iterations. iteration 37: trace = 1.074104342094742 (7.17352e-05% change) linmin: converged after 8 iterations. iteration 38: trace = 1.0741035448338 (7.42257e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.074102725502528 (7.62805e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101891626886 (7.76347e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101052043556 (7.81661e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100215512912 (7.7882e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 1.074099390029498 (7.68535e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.07409858279094 (7.5155e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 1.074097800360144 (7.28454e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097048603555 (6.99896e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 1.074096332319352 (6.66871e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.074095654755912 (6.30822e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 1.074095017290545 (5.9349e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.074094419421247 (5.56626e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.0740938590551 (5.2171e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 1.074093332969372 (4.89795e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 1.07409283730664 (4.61471e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 1.074092368006907 (4.36927e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 1.074091921153065 (4.16029e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091493108769 (3.98517e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 1.074091080761861 (3.83903e-05% change) linmin: converged after 8 iterations. iteration 58: trace = 1.074090681508481 (3.71713e-05% change) linmin: converged after 9 iterations. iteration 59: trace = 1.074090293246655 (3.6148e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 1.074089914377591 (3.52735e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.07408954373525 (3.45076e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089180545008 (3.38138e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088824311394 (3.31661e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088474770379 (3.2543e-05% change) linmin: converged after 10 iterations. iteration 65: trace = 1.074088131812889 (3.19301e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.074087795424909 (3.13185e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 1.074087465637336 (3.0704e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087142486525 (3.00861e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086825997921 (2.94658e-05% change) resetting CG direction... large trace change predicted (0.00552424%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027485246541 (0.00552492% change) linmin: converged after 5 iterations. iteration 71: trace = 1.073989958737312 (0.00349406% change) linmin: converged after 13 iterations. iteration 72: trace = 1.073965818187449 (0.00224777% change) linmin: converged after 10 iterations. iteration 73: trace = 1.073953308962991 (0.00116478% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950636146785 (0.000248877% change) linmin: converged after 4 iterations. iteration 75: trace = 1.07394945674702 (0.000109819% change) linmin: converged after 4 iterations. iteration 76: trace = 1.073948845911354 (5.68775e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073948013434697 (7.75155e-05% change) linmin: converged after 10 iterations. iteration 78: trace = 1.073947355326739 (6.12793e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 1.073947065924636 (2.69475e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.073946951589583 (1.06462e-05% change) linmin: converged after 7 iterations. iteration 81: trace = 1.07394690485856 (4.35133e-06% change) linmin: converged after 28 iterations. iteration 82: trace = 1.073946875649276 (2.71981e-06% change) linmin: converged after 2 iterations. iteration 83: trace = 1.073946858778201 (1.57094e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850180914 (8.00532e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946845819172 (4.06141e-07% change) linmin: converged after 23 iterations. iteration 86: trace = 1.073946842398289 (3.18534e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946838808701 (3.34243e-07% change) large trace change predicted (7.2606e-07%) linmin: converged after 4 iterations. iteration 88: trace = 1.073946831011176 (7.26062e-07% change) large trace change predicted (1.48005e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815116237 (1.48005e-06% change) large trace change predicted (4.36795e-06%) linmin: converged after 4 iterations. iteration 90: trace = 1.073946768207491 (4.36788e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 1.073946679646164 (8.24634e-06% change) linmin: converged after 11 iterations. iteration 92: trace = 1.073946529630115 (1.39687e-05% change) linmin: converged after 12 iterations. iteration 93: trace = 1.07394636658434 (1.51819e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946256689029 (1.02328e-05% change) linmin: converged after 6 iterations. iteration 95: trace = 1.073946150917233 (9.84889e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946054412507 (8.98599e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 1.073945952991739 (9.44375e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 1.073945869427394 (7.78106e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.073945843514159 (2.4129e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945837383465 (5.70857e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836402172 (9.13727e-08% change) linmin: converged after 5 iterations. iteration 102: trace = 1.073945836058164 (3.20322e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 1.073945835877889 (1.67862e-08% change) linmin: converged after 15 iterations. iteration 104: trace = 1.073945835763829 (1.06206e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 1.073945835716369 (4.41928e-09% change) linmin: converged after 6 iterations. iteration 106: trace = 1.073945835701656 (1.36996e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 1.073945835696756 (4.56248e-10% change) linmin: converged after 5 iterations. iteration 108: trace = 1.073945835694339 (2.25054e-10% change) linmin: converged after 16 iterations. iteration 109: trace = 1.073945835692627 (1.59471e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 1.073945835691451 (1.09477e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690736 (6.6534e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 0.8316891193389893 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.093863490062953 (5.33663% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777423022 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328696936294 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255459858 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171470054 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695734378 (0.00739312% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058827691 (0.005548% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563437612 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338414874 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.07485001295351 (0.000216352% change) linmin: converged after 5 iterations. iteration 11: trace = 1.074849426039992 (5.46042e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 1.074849271420711 (1.43852e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 1.074849229303241 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215176639 (1.31429e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211839921 (3.10436e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210730145 (1.03249e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209956638 (7.19642e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209015939 (8.75192e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207771038 (1.15821e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206713589 (9.83811e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205572246 (1.06186e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203568237 (1.86446e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200243935 (3.09281e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195281871 (4.61652e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189783535 (5.11545e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181226479 (7.96117e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167024555 (1.32129e-06% change) linmin: converged after 26 iterations. iteration 28: trace = 1.074849153567507 (1.25199e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 1.07484914574267 (7.27994e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.07484914229228 (3.21012e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.074849140247109 (1.90275e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.074849138714339 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.07484913790628 (7.51788e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608587 (2.76963e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533781 (6.95967e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 1.074849137516844 (1.57575e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849137512893 (3.67613e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849137511866 (9.55029e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.28838038444519043 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946613632 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337851337 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839444839 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825212561 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827453194 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.0725869933016 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.07244769196964 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266694897 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251703179 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631926419 (0.000803815% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311748191 (0.000402869% change) linmin: converged after 4 iterations. iteration 12: trace = 1.072348215294496 (0.000195501% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072347360457896 (7.97164e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.07234690214512 (4.27392e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.072346623506627 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159297832 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068911444 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995677928 (0.000193337% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903847039 (0.000288325% change) linmin: converged after 23 iterations. iteration 20: trace = 1.072336586525598 (0.000309354% change) linmin: converged after 11 iterations. iteration 21: trace = 1.072331067861508 (0.00051464% change) linmin: converged after 16 iterations. iteration 22: trace = 1.072320822252125 (0.000955457% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842032009 (0.00111723% change) linmin: converged after 9 iterations. iteration 24: trace = 1.072300271285933 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565468 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606445 (8.01046e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653376 (2.17247e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014169118 (6.01366e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072295982384193 (2.96419e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.072295961926063 (1.90788e-06% change) linmin: converged after 3 iterations. iteration 31: trace = 1.07229595065531 (1.05109e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072295945181689 (5.10458e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506738 (2.4946e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072295940840406 (1.55398e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.07229594000241 (7.81497e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.07229593966729 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939535272 (1.23117e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939490483 (4.17695e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.072295939476572 (1.29734e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.072295939472061 (4.20609e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939469519 (2.37141e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.072295939465236 (3.99384e-10% change) large trace change predicted (1.11617e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939453271 (1.11586e-09% change) large trace change predicted (2.52034e-09%) linmin: converged after 3 iterations. iteration 44: trace = 1.072295939426241 (2.52069e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939386517 (3.7046e-09% change) linmin: converged after 2 iterations. iteration 46: trace = 1.072295939340506 (4.29093e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279455 (5.6935e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 1.07229593919474 (7.90033e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 1.072295939101655 (8.68087e-09% change) linmin: converged after 11 iterations. iteration 50: trace = 1.072295939034337 (6.2779e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004894 (2.74586e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 1.072295938995441 (8.81514e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.072295938992627 (2.62466e-10% change) linmin: converged after 2 iterations. iteration 54: trace = 1.072295938991747 (8.20427e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.40953826904296875 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218504587 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358181615 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901353496 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06955351246923 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087283292 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619783253 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139982915 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273148097 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109652197 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047123368 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978800309935 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671401058 (0.000199154% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976061676143 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503847 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616919 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691301347 (5.73592e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 1.068975611585911 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394834 (1.00275e-05% change) linmin: converged after 28 iterations. iteration 19: trace = 1.068975371946819 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238400782 (1.24929e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.068975009008613 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 5 iterations. iteration 22: trace = 1.068974441379593 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 4 iterations. iteration 23: trace = 1.06897323035205 (0.000113289% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971612251336 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673721642 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061792 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206047 (1.42058e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.068970064617408 (7.44536e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.068970000607616 (5.98799e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 1.068969962460862 (3.56855e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599869 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463743 (6.6757e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705116 (3.51612e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325579 (2.22601e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392089 (8.73261e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.068969931132226 (2.43097e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54788e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.068969931043937 (1.71137e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.068969931038528 (5.05981e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 1.068969931036692 (1.71783e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035934 (7.08943e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.3095874786376953 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087103826 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625152661 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623579 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371547756 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421661608 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514105037 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840022479 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016827025 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593737446 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587644159 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06644367200251 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721222995 (0.000276694% change) linmin: converged after 5 iterations. iteration 13: trace = 1.066439849489925 (8.17423e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.066439375228711 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.06643900992587 (3.42544e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 1.066438547202835 (4.33896e-05% change) linmin: converged after 25 iterations. iteration 17: trace = 1.066438083380031 (4.34927e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 1.066437660403118 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091986816 (5.33005e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003249257 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433061003117 (0.000275896% change) linmin: converged after 3 iterations. iteration 22: trace = 1.06642793475905 (0.000480692% change) linmin: converged after 5 iterations. iteration 23: trace = 1.066424326682477 (0.000338333% change) linmin: converged after 14 iterations. iteration 24: trace = 1.066422960610081 (0.000128098% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499818148 (4.32091e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186806159 (2.93516e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052569 (2.77827e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685762265 (1.9201e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 1.066421590549438 (8.92825e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709119 (3.07949e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618909 (1.32126e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537041107 (6.16811e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395652 (2.89247e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532546079 (1.32259e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098712 (4.19503e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981078 (1.10308e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947887 (3.11231e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934603 (1.24569e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.06642153192376 (1.0168e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.066421531913921 (9.22558e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 1.066421531908639 (4.95384e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.06642153190678 (1.74317e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 1.066421531906209 (5.34695e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.32477593421936035 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773523572 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570021082 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947035617 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964033352 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396925658 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989612961 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335041733 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062396949 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443686219 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784325724 (0.000343696% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064703064037169 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652724537 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182180295 (4.41949e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700943595669 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802685182 (1.32347e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064700694070544 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636598651 (5.39794e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617107804 (1.83064e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610383978 (6.31523e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607855536 (2.37479e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06470060562632 (2.09375e-07% change) large trace change predicted (4.79888e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600516941 (4.79889e-07% change) large trace change predicted (1.42404e-06%) linmin: converged after 3 iterations. iteration 23: trace = 1.064700585355235 (1.42403e-06% change) large trace change predicted (2.97931e-06%) linmin: converged after 4 iterations. iteration 24: trace = 1.064700553634983 (2.97927e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.064700526783395 (2.52198e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508728923 (1.69573e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.06470049007232 (1.75229e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06470046670805 (2.19445e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 1.064700446692077 (1.87996e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 1.064700438159558 (8.01401e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712811 (3.23729e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935373 (1.66943e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.064700431874701 (9.96216e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 1.064700431313299 (5.27287e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 1.064700431122869 (1.78857e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069187 (5.04198e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049588 (1.84086e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037439 (1.141e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.06470043102659 (1.01902e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 1.064700431020412 (5.8019e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.064700431018619 (1.68468e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.06470043101822 (3.74975e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.3169381618499756 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350258464 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626710125 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244973315 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593267827 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127994454 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659749782 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318742271 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.06567551063021 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.06561117031351 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512594905 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557364038 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856808036 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821686211 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533865888116 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310008211 (5.21692e-05% change) linmin: converged after 19 iterations. iteration 16: trace = 1.065532898641035 (3.86067e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.065532683274763 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.06553256279527 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.065532411949504 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110049109 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537830224 (5.37027e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301766 (5.44825e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 1.065530503251994 (4.26125e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848639519 (6.14354e-05% change) large trace change predicted (0.000173392%) linmin: converged after 4 iterations. iteration 25: trace = 1.065528002345301 (0.000173275% change) large trace change predicted (0.000909713%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574708514 (0.000884789% change) large trace change predicted (0.00393934%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645435641 (0.00299664% change) linmin: converged after 5 iterations. iteration 28: trace = 1.065452553120126 (0.00319975% change) linmin: converged after 6 iterations. iteration 29: trace = 1.065430692674114 (0.00205177% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419519797684 (0.00104868% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511388109 (0.00065781% change) linmin: converged after 5 iterations. iteration 32: trace = 1.065407624769086 (0.000458661% change) linmin: converged after 9 iterations. iteration 33: trace = 1.065405106225756 (0.000236393% change) linmin: converged after 5 iterations. iteration 34: trace = 1.0654040172277 (0.000102215% change) linmin: converged after 4 iterations. iteration 35: trace = 1.065403611178203 (3.81123e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441814578 (1.58967e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323919896 (1.10657e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.065403209105764 (1.07766e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403107356248 (9.55033e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403054378212 (4.97258e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.065403036005433 (1.72449e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.065403029066158 (6.51329e-07% change) linmin: converged after 10 iterations. iteration 43: trace = 1.065403024635121 (4.15902e-07% change) linmin: converged after 6 iterations. iteration 44: trace = 1.065403021183181 (3.24003e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018967786 (2.0794e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.06540301799757 (9.10656e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.065403017535375 (4.33822e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 1.065403017068308 (4.38395e-08% change) large trace change predicted (8.98767e-08%) linmin: converged after 3 iterations. iteration 49: trace = 1.065403016110758 (8.98767e-08% change) large trace change predicted (2.34674e-07%) linmin: converged after 3 iterations. iteration 50: trace = 1.065403013610528 (2.34675e-07% change) large trace change predicted (5.60902e-07%) linmin: converged after 6 iterations. iteration 51: trace = 1.065403007634617 (5.60906e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 1.065402998314768 (8.74772e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.065402986257841 (1.13168e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 1.065402969168857 (1.60399e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 1.065402943665572 (2.39377e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.065402909795887 (3.17905e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 1.065402880541239 (2.74588e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867303766 (1.24249e-06% change) linmin: converged after 2 iterations. iteration 59: trace = 1.065402862586899 (4.42731e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 1.065402860541348 (1.91998e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 1.065402859235046 (1.22611e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 1.065402858140186 (1.02765e-07% change) linmin: converged after 2 iterations. iteration 63: trace = 1.065402857385623 (7.08243e-08% change) linmin: converged after 16 iterations. iteration 64: trace = 1.065402857036981 (3.27239e-08% change) linmin: converged after 16 iterations. iteration 65: trace = 1.065402856879801 (1.47532e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.06540285678336 (9.05199e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.065402856698797 (7.93723e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628575 (6.59115e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 1.06540285659135 (3.49397e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578422 (1.21338e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 1.065402856572637 (5.43064e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 1.065402856570892 (1.6373e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.06540285657011 (7.3445e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5468101501464844 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652985933632 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114035257 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314063993459 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800077804152 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864884740296 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077286103 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167245134 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293496419 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369857015 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196440771 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299013849 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686886075716 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05764371827619 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094505351 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169313476 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843559645 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897778592 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493139453 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622004361 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.05754621327995 (0.000133207% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647266108 (5.35214e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.057545445060952 (1.91202e-05% change) linmin: converged after 17 iterations. iteration 23: trace = 1.057545346459636 (9.3236e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057545294682121 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741636 (2.16922e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910935 (8.35019e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259833991 (7.56607e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.057545259398532 (4.11764e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 1.057545259108186 (2.74547e-08% change) linmin: converged after 10 iterations. iteration 31: trace = 1.057545258933647 (1.65041e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.057545258873734 (5.66527e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 1.057545258854835 (1.78709e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 1.057545258846099 (8.26118e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 1.057545258839641 (6.10633e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 1.057545258833264 (6.02949e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.057545258828682 (4.3332e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.057545258826098 (2.44333e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824423 (1.58354e-10% change) linmin: converged after 5 iterations. iteration 40: trace = 1.057545258822975 (1.36937e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.057545258821918 (9.9984e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.3097963333129883 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264383683378 (0.453576% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266104058 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550828425 (0.0448514% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507881569 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772275293 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04877245532582 (0.00670447% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914208286 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582044645 (0.00041308% change) linmin: converged after 4 iterations. iteration 9: trace = 1.048741973643088 (0.000248717% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250629304 (0.000164294% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772936668 (0.000140902% change) linmin: converged after 6 iterations. iteration 12: trace = 1.048738138350181 (6.05095e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951017005 (1.78627e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879513113 (6.81809e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847274543 (3.07404e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823439024 (2.27278e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805840767 (1.67804e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790464287 (1.46619e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.048737774171443 (1.55357e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760565606 (1.29735e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.048737751887204 (8.27509e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.048737748310937 (3.41007e-07% change) linmin: converged after 20 iterations. iteration 23: trace = 1.048737746988563 (1.26092e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414585 (5.47304e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162664 (2.40214e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.048737746020625 (1.35438e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965862 (5.22177e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.048737745951455 (1.37378e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.048737745947921 (3.37004e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 1.048737745947218 (6.699e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.22809815406799316 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367081 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363824 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155789 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533035 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545414 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330498 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368647 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612427 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.042062887047469 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967667 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339079 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662522 (0.000111671% change) linmin: converged after 4 iterations. iteration 13: trace = 1.042055457699181 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980347 (9.76137e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293896 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547851 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398364 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630034 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138578 (2.3503e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.042055207018134 (1.30175e-06% change) linmin: converged after 22 iterations. iteration 22: trace = 1.042055201090032 (5.68886e-07% change) linmin: converged after 30 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.042055198377252 (6.88297e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125169 (2.4191e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991546 (1.2823e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39612e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900922 (2.30053e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055197891546 (8.99766e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887333 (4.04304e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 1.042055197884501 (2.71745e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.042055197882747 (1.68378e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.04205519788213 (5.92372e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.2502100467681885 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04058396714268 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444636 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501656240234 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296821 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983722 (0.00270308% change) linmin: converged after 6 iterations. iteration 6: trace = 1.039389236782874 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080391 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.03937250860792 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584158 (0.000657998% change) linmin: converged after 4 iterations. iteration 10: trace = 1.039358797682225 (0.000661165% change) linmin: converged after 5 iterations. iteration 11: trace = 1.039351522033718 (0.000700016% change) linmin: converged after 11 iterations. iteration 12: trace = 1.039347743030296 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568471 (0.000109632% change) linmin: converged after 4 iterations. iteration 14: trace = 1.039346252827014 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.03934615166332 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166363 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762976 (4.27224e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.039346002477123 (5.22308e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 1.039345931774672 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.039345797360598 (6.37384e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.039345749422771 (4.61231e-06% change) linmin: converged after 12 iterations. iteration 23: trace = 1.03934572407996 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972816 (1.35731e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345701605023 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151118 (6.20958e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963402 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283837 (4.66846e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73676e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033776 (6.69189e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 1.039345690011566 (2.13694e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.039345690005518 (5.81888e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.039345690002446 (2.95569e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999084 (3.23449e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.039345689993936 (4.95322e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.039345689988247 (5.47428e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 1.039345689985423 (2.71727e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.039345689984556 (8.33405e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.29488158226013184 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161722784 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242541704 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793084914 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147669495 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655684328 (0.00187129% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041610029147031 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957216157 (0.00250307% change) linmin: converged after 5 iterations. iteration 8: trace = 1.041547309523958 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030684974 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060956518 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.04116469868315 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772943269 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951208425 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073106839 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096986957 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753135 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294595 (0.000222547% change) linmin: converged after 5 iterations. iteration 18: trace = 1.040880129419154 (0.000166001% change) linmin: converged after 5 iterations. iteration 19: trace = 1.040878846929637 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104806 (5.42642e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.040878051081444 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535598 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.04087791382365 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748273 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.040877888402709 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210226 (8.83147e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 1.040877861806184 (1.67205e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 1.040877831116796 (2.94841e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.040877780705331 (4.84317e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 1.040877720799278 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373299 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.04087763683477 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021508 (8.46714e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968478 (2.93313e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448808 (1.45999e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408122 (9.99815e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570131 (8.05081e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105963 (4.45939e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 1.040877620899657 (1.98204e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810268 (8.58782e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768389 (4.02347e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.04087762074268 (2.46996e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.040877620722485 (1.94014e-09% change) linmin: converged after 6 iterations. iteration 44: trace = 1.040877620697879 (2.36395e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655525 (4.0691e-09% change) large trace change predicted (8.31704e-09%) linmin: converged after 20 iterations. iteration 46: trace = 1.040877620568959 (8.31662e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412687 (1.50134e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 1.040877620260931 (1.45796e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 1.040877620187648 (7.04052e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163347 (2.33464e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 1.040877620156024 (7.03587e-10% change) linmin: converged after 6 iterations. iteration 52: trace = 1.040877620153321 (2.59658e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 1.040877620151858 (1.40581e-10% change) linmin: converged after 2 iterations. iteration 54: trace = 1.040877620150958 (8.64177e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.40569424629211426 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905206 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080566 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729925 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254674 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198107 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898853 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.595838685692698 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080566) to band 3 (0.44237076681729925), 10.869497799551292% total elapsed time for run: 10.861451148986816 done /tmp/meepFBAM2J/test_diamond-0: 10.87s /tmp/meepFBAM2J/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0031147003173828125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 15.010498021346 (194.322% change) linmin: converged after 10 iterations. iteration 2: trace = 6.706692165762185 (76.4722% change) linmin: converged after 5 iterations. iteration 3: trace = 5.931553794782948 (12.2665% change) linmin: converged after 5 iterations. iteration 4: trace = 5.6626353420037 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.527372289713447 (2.41757% change) linmin: converged after 9 iterations. iteration 6: trace = 5.474817264686457 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710787579 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006417282 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735002818 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793421508 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.4326292019378 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964487992 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964019358 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252890605 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096366349 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783177259 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499317009 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004383361 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213034 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232372 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533288641 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261772 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414579782587724 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159788051 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.41453770936717 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428772 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097875 (0.000191565% change) linmin: converged after 5 iterations. iteration 28: trace = 5.414506000595689 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958568 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822161 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585159968 (0.000143553% change) linmin: converged after 4 iterations. iteration 32: trace = 5.414473688675649 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062535 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517081 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896522 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684608 (1.16746e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.414470802007637 (5.29636e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 5.414470781361678 (3.81311e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 5.414470762077166 (3.56166e-07% change) linmin: converged after 20 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667675 (3.45714e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127531 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366221 (2.35689e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 5.414470683200209 (1.87756e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912604 (1.53064e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970536 (9.12752e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695277 (4.20218e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 5.414470666815672 (1.62454e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 5.414470666454856 (6.66391e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309422 (2.68604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257191 (9.64641e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225628 (5.82941e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199074 (4.90424e-10% change) linmin: converged after 16 iterations. iteration 54: trace = 5.414470666173623 (4.70067e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 5.414470666149845 (4.39146e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 5.414470666128747 (3.89656e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 5.414470666110463 (3.37688e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093909 (3.0575e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 5.41447066608077 (2.42661e-10% change) linmin: converged after 6 iterations. iteration 60: trace = 5.414470666072175 (1.58739e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.16669321060180664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.41403420081913 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431346 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235943 (0.116695% change) linmin: converged after 8 iterations. iteration 4: trace = 5.385733021260244 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764185888 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308347506 (0.00507812% change) linmin: converged after 3 iterations. iteration 7: trace = 5.384742385264802 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.384707331033317 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.38469712543302 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738827012 (4.4322e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.384693738418333 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474304 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290619 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19546e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.384693227539165 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657309 (9.06617e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.384693220298978 (4.37969e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.384693219444983 (1.58597e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 5.384693219150676 (5.46564e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100488 (9.32038e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.384693219085559 (2.77256e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.07954716682434082 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708016967 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.34722213506751 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037295 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997323115 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076779406 (0.0019817% change) linmin: converged after 3 iterations. iteration 6: trace = 5.344849146440733 (0.000559983% change) linmin: converged after 22 iterations. iteration 7: trace = 5.344835115273662 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084766 (9.83976e-05% change) linmin: converged after 10 iterations. iteration 9: trace = 5.344828194804581 (3.1082e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.34482778191428 (7.72504e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 5.344827673972688 (2.01955e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.344827628371226 (8.53189e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34482761778566 (1.98053e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.344827614523979 (6.1025e-08% change) linmin: converged after 15 iterations. iteration 15: trace = 5.344827613901673 (1.16431e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.344827613761431 (2.62389e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731026 (5.68868e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.344827613719946 (2.07304e-10% change) linmin: converged after 7 iterations. iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.06921029090881348 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320235624 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355250337 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635047892 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678894591 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699653032 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391909682 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504789 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683688 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811745 (2.36636e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 5.332538862039456 (3.91506e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 5.332538810551377 (9.65545e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.332538790057334 (3.84321e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.332538782348786 (1.44557e-07% change) linmin: converged after 11 iterations. iteration 14: trace = 5.332538778533824 (7.15412e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.33253877716299 (2.5707e-08% change) linmin: converged after 26 iterations. iteration 16: trace = 5.332538776748035 (7.78157e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.332538776643096 (1.9679e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.33253877660365 (7.39719e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.332538776587458 (3.03652e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581433 (1.12976e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.07610177993774414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432914471 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.35681496597751 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997895033 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701676444 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600391805 (0.00848364% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473034 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551781 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977405 (0.000377464% change) linmin: converged after 3 iterations. iteration 9: trace = 5.352160538189254 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103698383 (8.28543e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779187 (4.54194e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.352152330741596 (2.50747e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.35215188575005 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938054 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468186 (9.42983e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.352151666678834 (2.76325e-07% change) linmin: converged after 16 iterations. iteration 17: trace = 5.352151661664975 (9.36793e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840976 (3.40797e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.35215165933784 (9.40062e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154265 (3.42994e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.352151659081809 (1.35377e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049177 (6.09693e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.352151659038401 (2.01345e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.08659720420837402 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214230133 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985673 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869995439 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420763032 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128030709 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882337 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031405 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374350685 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794407 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587783547 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343263 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.3782175387905 (0.000383575% change) linmin: converged after 6 iterations. iteration 13: trace = 5.378209482090192 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014855 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789658 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.378205024912403 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150022 (3.11672e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.378205002382006 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047539 (9.91868e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784511 (7.92649e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.378204989224097 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266805 (3.6393e-08% change) linmin: converged after 17 iterations. iteration 26: trace = 5.378204986560163 (1.3139e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 5.378204986365555 (3.61845e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 5.378204986298523 (1.24636e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.378204986252788 (8.50376e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.37820498622292 (5.55363e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206847 (2.98845e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199393 (1.38605e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.378204986194201 (9.65267e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.1182551383972168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784984 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.29404612333864 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234180934 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119399746 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824734812 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018346 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590548 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052713 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428478 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890185 (0.000117924% change) linmin: converged after 3 iterations. iteration 11: trace = 5.280992817488488 (4.23102e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892319 (1.6315e-05% change) linmin: converged after 8 iterations. iteration 13: trace = 5.280991779814332 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376504 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857131 (2.18129e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.280991716887279 (5.62366e-08% change) linmin: converged after 28 iterations. iteration 17: trace = 5.280991715662336 (2.31953e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.280991715170658 (9.31033e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.280991714932153 (4.5163e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.280991714863475 (1.30047e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843208 (3.83779e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 5.280991714835511 (1.45748e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829545 (1.12969e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.280991714822687 (1.29872e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.28099171481807 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.09027981758117676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281905371 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367542724 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.122357731850104 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238796 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726682798 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069779 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740887 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676667 (0.000159839% change) linmin: converged after 6 iterations. iteration 9: trace = 5.121437287250298 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310326 (9.33215e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.121436715075805 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.1214366855107 (5.77281e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.121436680112657 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590915 (2.97132e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180302 (8.01753e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101738 (1.53404e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.1214366780824 (3.77578e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.121436678073881 (1.66348e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060031 (2.7042e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.121436678042873 (3.35037e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033497 (1.83066e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.121436678029987 (6.8537e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.07945728302001953 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457157 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163390585 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812258216 (0.0144763% change) linmin: converged after 4 iterations. iteration 4: trace = 4.989343647112834 (0.00341051% change) linmin: converged after 3 iterations. iteration 5: trace = 4.989291241668816 (0.00105035% change) linmin: converged after 5 iterations. iteration 6: trace = 4.989274244813382 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671027 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922126 (3.38677e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.989265604082178 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.989265515601312 (1.77342e-06% change) linmin: converged after 19 iterations. iteration 11: trace = 4.989265501206923 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708839 (9.01552e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.989265495704011 (2.01398e-08% change) linmin: converged after 21 iterations. iteration 14: trace = 4.989265495448894 (5.11331e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 4.989265495393171 (1.11687e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 4.989265495383631 (1.91209e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381124 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.07270956039428711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536844211 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118934637 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641584239 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816827293 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084889064 (0.000504114% change) linmin: converged after 14 iterations. iteration 6: trace = 4.90600738959164 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953579 (3.16885e-05% change) linmin: converged after 21 iterations. iteration 8: trace = 4.906005406698485 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385232 (3.10463e-06% change) linmin: converged after 18 iterations. iteration 10: trace = 4.906005216417528 (7.73903e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.906005209418575 (1.42661e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.906005206803123 (5.33112e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252121 (1.12312e-08% change) linmin: converged after 15 iterations. iteration 14: trace = 4.906005206142125 (2.24206e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.906005206125053 (3.47993e-10% change) linmin: converged after 8 iterations. iteration 16: trace = 4.906005206120705 (8.86186e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.05886530876159668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825184451 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626561798 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752866675 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496002 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932666951 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735246 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798982 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093842 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075416 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591742 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070434 (2.49875e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.877776571775754 (6.04129e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.877776571718371 (1.17641e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 4.877776571708919 (1.93777e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.877776571705258 (7.50562e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.058342695236206055 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026457 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880211 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362581 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668675 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539686 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844871 (1.02794e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.933541212739493 (1.23752e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751461 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.933541210308102 (8.98663e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.933541210231291 (1.55691e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.933541210216972 (2.90242e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.93354121021467 (4.66634e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.05843710899353027 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.09950711216279 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310897 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632202 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562915948 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953231 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324336 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 5 iterations. iteration 8: trace = 5.086793518222221 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445188 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.086789203381458 (1.60821e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.08678904552023 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806468 (1.05595e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.086788981872509 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939783 (3.7995e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.086788979425329 (1.01135e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.086788979343621 (1.60628e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.086788979319499 (4.7421e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.086788979306894 (2.47799e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.086788979301443 (1.07155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.086788979299675 (3.47464e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.07252001762390137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730342 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324799 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134993 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364312 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518456 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149962 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537655 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730882 (0.00274585% change) linmin: converged after 6 iterations. iteration 9: trace = 5.263272539866859 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021758 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625349 (1.82199e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.263256607031205 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248049 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468796 (3.94798e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.263256521693531 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415705 (3.65701e-08% change) linmin: converged after 18 iterations. iteration 19: trace = 5.263256512765319 (1.23571e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.263256512526155 (4.54404e-09% change) linmin: converged after 17 iterations. iteration 21: trace = 5.263256512381847 (2.74179e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.263256512319999 (1.1751e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.263256512296811 (4.40558e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.263256512290631 (1.17434e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.263256512288835 (3.41214e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.09021449089050293 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127255 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224942905 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703693424 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157768965 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246647 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245635 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967524 (0.00155035% change) linmin: converged after 12 iterations. iteration 8: trace = 5.36296230885997 (0.000888779% change) linmin: converged after 5 iterations. iteration 9: trace = 5.362928148997674 (0.000636961% change) linmin: converged after 3 iterations. iteration 10: trace = 5.362908167194895 (0.000372592% change) linmin: converged after 3 iterations. iteration 11: trace = 5.362897445562917 (0.000199922% change) linmin: converged after 10 iterations. iteration 12: trace = 5.36289083229464 (0.000123315% change) linmin: converged after 11 iterations. iteration 13: trace = 5.362888873060142 (3.65332e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.362888159902996 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137234 (4.19113e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 5.362887877004615 (1.08398e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.362887858604033 (3.4311e-07% change) linmin: converged after 19 iterations. iteration 18: trace = 5.362887851988788 (1.23352e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.362887849877572 (3.93671e-08% change) linmin: converged after 8 iterations. iteration 20: trace = 5.362887849213489 (1.23829e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 5.362887849013022 (3.73805e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 5.362887848952667 (1.12542e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922164 (5.68774e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904127 (3.36332e-10% change) linmin: converged after 16 iterations. iteration 25: trace = 5.362887848892482 (2.17139e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.362887848885797 (1.24659e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.362887848881173 (8.62195e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.09809732437133789 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864450057 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.432871450760013 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.42268849791254 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175639966 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105681037619 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295320584 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173547 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037634 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483996364 (0.000992868% change) linmin: converged after 3 iterations. iteration 10: trace = 5.414576265050929 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861069105 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419970065 (0.000174365% change) linmin: converged after 17 iterations. iteration 13: trace = 5.414537376508578 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.414500553000028 (0.000680088% change) linmin: converged after 7 iterations. iteration 15: trace = 5.414478702494632 (0.000403556% change) linmin: converged after 5 iterations. iteration 16: trace = 5.414472728543718 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.4144713305419 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198768 (8.98228e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354928 (2.30574e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.41447068131429 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480572 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611978 (5.29801e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661455 (1.75552e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362712 (5.51748e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267753 (1.75381e-09% change) linmin: converged after 14 iterations. iteration 26: trace = 5.414470666221955 (8.45829e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.414470666193713 (5.21608e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171704 (4.06486e-10% change) linmin: converged after 13 iterations. iteration 29: trace = 5.414470666155404 (3.01042e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140535 (2.74616e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414470666122158 (3.39411e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.414470666102798 (3.57553e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086904 (2.93562e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414470666075434 (2.11822e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.414470666069082 (1.1732e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 5.414470666066688 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.09967207908630371 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% total elapsed time for run: 1.3792695999145508 done /tmp/meepFBAM2J/test_epsilon_input_file-0: 1.38s /tmp/meepFBAM2J/test_first_brillouin_zone-0 ======================== /tmp/meepFBAM2J/test_first_brillouin_zone-0: 0.12s /tmp/meepFBAM2J/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0002472400665283203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.4811423715298 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 54.7945%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) iteration 6: trace = 83.33333352466074 (7.15943e-06% change) iteration 7: trace = 83.3333333365708 (2.25708e-07% change) iteration 8: trace = 83.33333333338271 (3.82571e-09% change) iteration 9: trace = 83.33333333333447 (5.7895e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.0017971992492675781 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334653 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333383 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0012204647064208984 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.6666666666667 (6.01669e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.00021195411682128906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0002033710479736328 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00022459030151367188 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 47 iterations. iteration 1: trace = 91.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0005266666412353516 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 62.3932%) iteration 1: trace = 90.66666666672697 (3.571% change) iteration 2: trace = 90.6666672264862 (6.17382e-07% change) iteration 3: trace = 90.66666666666707 (6.17448e-07% change) iteration 4: trace = 90.66666666666671 (3.91843e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.00042819976806640625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.00020194053649902344 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 55.3398%) iteration 1: trace = 92.66666666666669 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.00023627281188964844 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 56.8627%) iteration 1: trace = 95.66666666666669 (2.97091e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00023436546325683594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 45 iterations. iteration 1: trace = 99.99999999999999 (2.84217e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.0005071163177490234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (1.55593e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.00020575523376464844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.6882%) iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0002295970916748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 51.0417%) iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0002269744873046875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 54.3478%) iteration 1: trace = 81.33333333333333 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.00022935867309570312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 83.33333333333331 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0001800060272216797 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.007491111755371094 done /tmp/meepFBAM2J/test_fractional_lattice-0: 0.01s /tmp/meepFBAM2J/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017638206481933594 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1429154872894287 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.587630033493042 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09328675270080566 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08642053604125977 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10030388832092285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15601873397827148 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1176760196685791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10050725936889648 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0863499641418457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08297157287597656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08250951766967773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06578803062438965 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07579803466796875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10381484031677246 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12133216857910156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25202202796936035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.258134365081787 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepFBAM2J/test_get_bfield-0: 2.26s /tmp/meepFBAM2J/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016415119171142578 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1418149471282959 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4266531467437744 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0935068130493164 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08687663078308105 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1003274917602539 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15612077713012695 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11764717102050781 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10039806365966797 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08618974685668945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0830526351928711 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08276772499084473 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06567144393920898 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07594037055969238 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10435891151428223 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12193942070007324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25220441818237305 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0981523990631104 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 ./tmp/meepFBAM2J/test_get_dfield-0: 2.10s /tmp/meepFBAM2J/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016217231750488281 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14215731620788574 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4267873764038086 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09350466728210449 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0866391658782959 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10043215751647949 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15606188774108887 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11764860153198242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10051417350769043 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08663010597229004 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08305120468139648 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08244895935058594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06574225425720215 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07638263702392578 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1583263874053955 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1716938018798828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3236124515533447 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.2745707035064697 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_get_efield-0: 2.28s /tmp/meepFBAM2J/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024001598358154297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.18428325653076172 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696582 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490526 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526946 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966812 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299298 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122106 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56769679186448 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484449 (0.00159761% change) linmin: converged after 4 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766407 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307059 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639377 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003683 (1.09636e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 5.567408898969297 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891888 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106272 (9.6608e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704724673 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925327 (1.58051e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.567408689562775 (1.14282e-07% change) linmin: converged after 20 iterations. iteration 22: trace = 5.567408680883096 (1.55902e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.567408666017618 (2.67009e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087335 (3.75943e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756644 (5.4479e-07% change) large trace change predicted (2.01094e-06%) linmin: converged after 4 iterations. iteration 26: trace = 5.567408502814525 (2.01067e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934810359823 (0.00850867% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934505159929 (5.48237e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 5.566934199943775 (5.48266e-06% change) linmin: converged after 7 iterations. iteration 30: trace = 5.56693389481052 (5.48117e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.566933589846162 (5.47814e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933285124756 (5.47377e-06% change) linmin: converged after 9 iterations. iteration 33: trace = 5.566932980709135 (5.46828e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932676621887 (5.46238e-06% change) linmin: converged after 15 iterations. iteration 35: trace = 5.566932372966671 (5.45462e-06% change) linmin: converged after 7 iterations. iteration 36: trace = 5.566932069727256 (5.44715e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.56693176697333 (5.43843e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693146470438 (5.42972e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931162934921 (5.42075e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930861654382 (5.41197e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.566930560905994 (5.40241e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930260670055 (5.3932e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566929960942561 (5.38407e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.566929661716138 (5.37507e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929362952369 (5.36676e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929064694512 (5.35767e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928766875275 (5.34979e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928469525604 (5.34136e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.56692817259577 (5.33382e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.56692787607921 (5.32639e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692757994756 (5.31948e-06% change) linmin: converged after 7 iterations. iteration 52: trace = 5.566927284178287 (5.31297e-06% change) linmin: converged after 10 iterations. iteration 53: trace = 5.566926988731351 (5.30718e-06% change) linmin: converged after 15 iterations. iteration 54: trace = 5.566926693615613 (5.30123e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.56692639877607 (5.29627e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 5.566926104215404 (5.29126e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.566925809894014 (5.28696e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925515775385 (5.28332e-06% change) linmin: converged after 11 iterations. iteration 59: trace = 5.566925221854762 (5.27977e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924928095346 (5.27687e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924634462735 (5.27459e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924340939635 (5.27263e-06% change) linmin: converged after 7 iterations. iteration 63: trace = 5.56692404750644 (5.27101e-06% change) linmin: converged after 23 iterations. iteration 64: trace = 5.566923754129689 (5.27e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923460778015 (5.26955e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923167431536 (5.26945e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922874064527 (5.26982e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 5.566922580655327 (5.27058e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 5.566922287171046 (5.27193e-06% change) resetting CG direction... large trace change predicted (0.0754188%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718512782029 (0.075542% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516076385325 (0.0575862% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556791790405083 (0.0490142% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554010353428814 (0.0500673% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552005582857545 (0.0361024% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550547712228479 (0.0262619% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549457268880531 (0.0196476% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548473999494187 (0.0177199% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114264378192 (0.0245095% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545235393501411 (0.0338769% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543228109084729 (0.0362049% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884091982618 (0.024249% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541239968218262 (0.0116235% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832071170986 (0.00736139% change) linmin: converged after 4 iterations. iteration 84: trace = 5.540632074196049 (0.00360958% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551195367696 (0.00145975% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517966360051 (0.000599744% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050758501761 (0.000187372% change) linmin: converged after 5 iterations. iteration 88: trace = 5.540503174032403 (7.96134e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.54050151560827 (2.99327e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500784614716 (1.31936e-05% change) linmin: converged after 13 iterations. iteration 91: trace = 5.540500263761089 (9.40084e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 5.54049982753501 (7.87341e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 5.540499525516076 (5.45111e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499204019576 (5.80266e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498783005636 (7.59885e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498244686079 (9.71609e-06% change) linmin: converged after 8 iterations. iteration 97: trace = 5.540497715640619 (9.5487e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529492564 (3.35977e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433083058 (1.74009e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497372993969 (1.08454e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320879106 (9.40617e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282464852 (6.93336e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.540497260411306 (3.98043e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250229082 (1.83778e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245835659 (7.92966e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.54049724429488 (2.78094e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.540497243575158 (1.29902e-08% change) linmin: converged after 15 iterations. iteration 108: trace = 5.540497243249977 (5.86916e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243061477 (3.40222e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 5.540497242956238 (1.89944e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242912883 (7.82521e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242878081 (6.28145e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.540497242842925 (6.34526e-10% change) linmin: converged after 6 iterations. iteration 114: trace = 5.540497242789407 (9.65944e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242722664 (1.20462e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658179 (1.16389e-09% change) linmin: converged after 5 iterations. iteration 117: trace = 5.540497242618782 (7.11072e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597686 (3.8076e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587047 (1.92031e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581502 (1.00079e-10% change) linmin: converged after 5 iterations. iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6616377830505371 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000252259 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.08995e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000416155 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.54618e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.0013508i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081822686 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029228409 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358038294 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093779247 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599955 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472484 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717327 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902817 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643219 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353633 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158968 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.499375016510671 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565689 (8.71826e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.499374947904278 (8.69224e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845085 (1.92602e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72148e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.499374946459589 (2.28834e-09% change) linmin: converged after 18 iterations. iteration 20: trace = 5.499374946407672 (9.44063e-10% change) linmin: converged after 15 iterations. iteration 21: trace = 5.499374946373183 (6.27141e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.499374946309954 (6.07018e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288361 (3.92652e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.499374946279792 (1.5582e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1569063663482666 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.1595e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62507e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.00022e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.35597e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.08219e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.49616707008053 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190713 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948148 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973381 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583483 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149569 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235764 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535459 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740719 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 20 iterations. iteration 14: trace = 5.485459100856755 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.48545909016168 (1.94971e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892922 (1.1428e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.485459081556677 (4.25898e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.485459080639322 (1.67234e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.48545908025817 (6.94841e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162858 (1.73753e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117771 (8.21946e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098437 (3.52457e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091238 (1.31232e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.11758780479431152 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.13082e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 9.88711e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.95405e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -6.49491e-15i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50986e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023693828 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601575505 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987799204 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809300058 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443437179 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668689 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729359 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832038 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535196 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715469 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385451024 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323756 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496837 (4.82858e-05% change) linmin: converged after 7 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.5043624297593 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909878 (8.29627e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.504362102222021 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716718 (1.18185e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750762 (1.34464e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 5.504362092362591 (7.05207e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.50436209212603 (4.2977e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030179 (1.74135e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995303 (6.33608e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.50436209198424 (2.00989e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.16023564338684082 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 4.56352e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -3.04813e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 8.20994e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.08556e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.69128e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373809171 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679615654 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137112 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.55028934317466 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553176633 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597163 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562529 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112738457 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684541 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443713 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.53994911671489 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259862 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189877 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693491 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652981 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689269 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647867 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294861 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295128 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344396 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767448 (3.18796e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460983 (2.49702e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282535843 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565903 (1.55212e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778634 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688565 (2.11411e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 5.538866904154692 (1.5623e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340915 (4.84102e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871036264 (1.13826e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549572 (2.68411e-08% change) linmin: converged after 19 iterations. iteration 33: trace = 5.538866869090082 (8.29574e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883928 (3.72196e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762618 (2.19016e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 5.538866868693111 (1.2549e-09% change) linmin: converged after 14 iterations. iteration 37: trace = 5.538866868641512 (9.31575e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 5.538866868615177 (4.75465e-10% change) linmin: converged after 8 iterations. iteration 39: trace = 5.538866868605617 (1.72589e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600071 (1.00125e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 5.538866868590809 (1.67233e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573494 (3.1261e-10% change) linmin: converged after 14 iterations. iteration 43: trace = 5.538866868559321 (2.55877e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.21492314338684082 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.03732e-12 + 1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by 5.3796e-14 + 1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by -1 + 2.37437e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by -1 + -5.25629e-15i; max ampl. = 4.2595 Fixing h-field (band 8) phase by -6.95505e-13 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033764859 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.4416000819508 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780935425 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922759868 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451089564 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871772 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703261 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600382 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279282 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788511001 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680921 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901312 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.419798149677875 (1.5395e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322979 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.41979774854683 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573565 (1.84015e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735608468 (5.47086e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734089036 (2.80349e-08% change) linmin: converged after 17 iterations. iteration 21: trace = 5.419797733507783 (1.07246e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151182 (2.03849e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102875 (8.91292e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077009 (4.77258e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054169 (4.21409e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.419797733031985 (4.09315e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.419797733016725 (2.81573e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.419797733003427 (2.45356e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989454 (2.57811e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 5.419797732973866 (2.8762e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963326 (1.94456e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.9367995262145996 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -9.57625e-14 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.04973e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by 5.05322e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by -3.73762e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 9.22068e-13i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094051 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170534 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577934 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568209 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212077 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235879626 (0.00400633% change) linmin: converged after 17 iterations. iteration 7: trace = 5.240908449573097 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597347 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765799 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877272 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699077 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786501 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364838 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950743164 (6.91047e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555025 (2.26707e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.240853949031684 (2.81883e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.240853948976927 (1.04481e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939868 (7.07122e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.2408539488835 (1.07554e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.240853948833735 (9.49569e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802547 (5.95084e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778204 (4.64489e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.240853948757241 (3.99988e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.240853948742306 (2.84984e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.24085394873585 (1.23172e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10136151313781738 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by 5.70938e-13 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by 1.93791e-14 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 5.61235e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by -5.8315e-13 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -2.63931e-13i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912779 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052854 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866202 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833601 (0.00623852% change) linmin: converged after 3 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031522 (0.000854589% change) linmin: converged after 7 iterations. iteration 7: trace = 5.096556387466497 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.09654810512098 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.096544340283684 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838803 (9.70165e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659999 (2.58583e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.096544274637574 (5.93034e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956438 (1.33647e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766987 (3.71725e-09% change) linmin: converged after 22 iterations. iteration 17: trace = 5.096544273707483 (1.16753e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88282e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621836 (9.9221e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.096544273547281 (1.46286e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463905 (1.63591e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.096544273426197 (7.39884e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.096544273414498 (2.29549e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.12679457664489746 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 2.83277e-16 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by 8.24069e-13 + -1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 9.83119e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by 1.27348e-11 + 1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + -1.70983e-11i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945950273 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389307009305 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599279913 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313196149 (0.00358098% change) linmin: converged after 8 iterations. iteration 5: trace = 5.006460294302824 (0.00137859% change) linmin: converged after 4 iterations. iteration 6: trace = 5.006443503180899 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863859 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606345235 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310774 (1.27243e-05% change) linmin: converged after 18 iterations. iteration 10: trace = 5.006436638672509 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138784 (1.98812e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318635 (1.79344e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.006436497214729 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812794 (8.02835e-09% change) linmin: converged after 13 iterations. iteration 16: trace = 5.006436496713436 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673629 (7.95122e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632912 (8.13306e-10% change) large trace change predicted (2.20207e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.006436496522667 (2.20205e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.006436496410069 (2.24906e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.006436496357248 (1.05508e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.00643649634443 (2.56016e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1379985809326172 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by -1 + -1.69173e-12i; max ampl. = 1.64641 Fixing h-field (band 5) phase by 6.05644e-15 + -1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by 6.38217e-13 + 1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -3.83599e-15 + -1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + -5.64393e-15i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750395213 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350116369 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668860984 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201928327 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205361087 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191053 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125455 (4.0958e-05% change) linmin: converged after 22 iterations. iteration 8: trace = 4.97598446244914 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964184 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211344 (9.3957e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.975984281705329 (3.92003e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.975984271802615 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162569 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893697 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819593 (1.48924e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774329 (9.09636e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.97598426570684 (1.3563e-09% change) large trace change predicted (3.4883e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533267 (3.48822e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.97598426542687 (2.1382e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393326 (6.74115e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384496 (1.77458e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12860631942749023 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -1.12741e-10i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + 1.67001e-14i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.27634e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -1.93784e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 1.29522e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647620472 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694840728 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796214106 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352526 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550591 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602301 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251284 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323867 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 26 iterations. iteration 11: trace = 5.03637849730083 (1.27317e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.036378484106185 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 5.03637848012837 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44956e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909357 (8.99063e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25132e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.09948945045471191 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -9.49411e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by 2.94781e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -2.77483e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by -3.16986e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + -1.08633e-09i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.21913235216869 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319364 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516376 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118343 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347182 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445572 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211532 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670567 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491536 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192129 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082154 (9.81448e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507296 (3.02475e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 5.206566306040202 (8.97126e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927633 (2.16205e-09% change) linmin: converged after 12 iterations. iteration 19: trace = 5.206566305900049 (5.29796e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893731 (1.21339e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10466384887695312 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by 2.53743e-14 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by 5.3903e-15 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 8.46556e-10 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -1.46167e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.07897e-09i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299449 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812747131 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418965 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552479 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971081 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855458 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333392 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575112 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939795 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895428 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169108 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907005 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745807 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 5.417088812132397 (8.50554e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.417088788744922 (4.31735e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389871 (2.28075e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.417088770680235 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321152 (4.35489e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.417088767370208 (1.75545e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 5.417088766928411 (8.15561e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.417088766681355 (4.56067e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554602 (2.33989e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462994 (1.69109e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 5.417088766423699 (7.25386e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.41708876641256 (2.05637e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1353468894958496 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -3.61395e-15 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 1.35722e-10 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 3.00373e-14 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 7.22546e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 7.18452e-11i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178966252 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902366905 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640700966 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154754 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.52412996609098 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860146 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215829 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379386 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667624 (0.00194077% change) linmin: converged after 5 iterations. iteration 10: trace = 5.522540696465857 (0.00197377% change) linmin: converged after 7 iterations. iteration 11: trace = 5.522446530191621 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.522358366920805 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787116066 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461643 (0.000382933% change) linmin: converged after 4 iterations. iteration 15: trace = 5.522271218167427 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619549674 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291797 (1.19744e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.522267758808093 (3.61235e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 5.522267691563139 (1.21771e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 5.522267667644009 (4.3314e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.522267656937707 (1.93875e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032022 (7.07261e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434978 (4.70286e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 5.522267648929224 (2.7267e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.52226764812226 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457968 (1.20293e-08% change) linmin: converged after 21 iterations. iteration 27: trace = 5.52226764682253 (1.15068e-08% change) linmin: converged after 5 iterations. iteration 28: trace = 5.522267646290366 (9.63669e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965354 (5.88548e-09% change) linmin: converged after 20 iterations. iteration 30: trace = 5.522267645803387 (2.93299e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716794 (1.56807e-09% change) linmin: converged after 13 iterations. iteration 32: trace = 5.522267645679253 (6.79805e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 5.522267645667594 (2.11129e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.18167781829833984 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -1.96012e-14 + 1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -1.73064e-09i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -8.62145e-14 + -1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by -6.00378e-11 + 1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by -1 + -1.49798e-14i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343686153 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468803457 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640948285 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172751885 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736264788 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767956 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897365 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418613 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938949176 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399634 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880777268 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664429506 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253128 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283162064 (0.00806656% change) near maximum in trace linmin: converged after 14 iterations. iteration 15: trace = 5.566399673346653 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201915931 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389178356 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785228282 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.56266800884599 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637722995 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631093034 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618543751 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.55696024491716 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.55578958693094 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798721044623 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114235886 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035979616 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676979562 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838245825 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970061278 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060972303 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956976141 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.5514735904469 (0.00441975% change) linmin: converged after 5 iterations. iteration 34: trace = 5.551249526790848 (0.00403619% change) linmin: converged after 5 iterations. iteration 35: trace = 5.551047677416069 (0.00363617% change) linmin: converged after 5 iterations. iteration 36: trace = 5.550864325188476 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189084933 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717959401 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745028214 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430583462 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903555643 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.55000442186271 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721015 (0.00203534% change) linmin: converged after 7 iterations. iteration 44: trace = 5.549785756757526 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477705529 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.54959723163614 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438068885 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431044415 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300655062 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832009439 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789728103 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393154708 (0.00107036% change) linmin: converged after 4 iterations. iteration 53: trace = 5.549131424712385 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954359294 (0.000945564% change) linmin: converged after 11 iterations. iteration 55: trace = 5.54902921463523 (0.000896364% change) linmin: converged after 4 iterations. iteration 56: trace = 5.548981603661867 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441687392 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438719772 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547255047 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214518713 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940675959 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719294887 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070260372 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460704889 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158058219 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782969059 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723992518 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403459734 (0.000456344% change) linmin: converged after 4 iterations. iteration 69: trace = 5.548522919797842 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 6 iterations. iteration 70: trace = 5.548329976785977 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222557171 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081094981 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373791001 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375773933 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473804 (6.67304e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 5.548141864891585 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837045155 (5.45741e-05% change) linmin: converged after 5 iterations. iteration 78: trace = 5.548134589430296 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746382553 (0.000105316% change) linmin: converged after 6 iterations. iteration 80: trace = 5.548123649319649 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114302 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009803089 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.548118262534494 (1.34689e-05% change) linmin: converged after 12 iterations. iteration 84: trace = 5.548117907882101 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015866 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428173 (2.20953e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 5.548117726415585 (5.42993e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588884 (1.49006e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.54811772537285 (3.89381e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334794 (6.85922e-10% change) linmin: converged after 16 iterations. iteration 92: trace = 5.548117725327052 (1.39547e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32427120208740234 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 1.46285e-09 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 8.44008e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 1.35168e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 5.03314e-11 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + 2.74593e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.496835864744899 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225445 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117835 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069754 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757003 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677103 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585589 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660669 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650205 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421844 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594152 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052694 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% total elapsed time for run: 3.7943921089172363 done /tmp/meepFBAM2J/test_get_eigenvectors-0: 3.82s /tmp/meepFBAM2J/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017254352569580078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.18262195587158203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6155452728271484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.11363482475280762 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1386702060699463 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1554563045501709 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2102346420288086 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.17032408714294434 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.138991117477417 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.10940766334533691 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.10004115104675293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.10111737251281738 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1040506362915039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10631871223449707 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.16072440147399902 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.16162538528442383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.36371612548828125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.9361631870269775 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepFBAM2J/test_get_hfield-0: 2.94s /tmp/meepFBAM2J/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024793148040771484 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.11702942848205566 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.09029197692871094 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.08357715606689453 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.08623838424682617 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.0576930046081543 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.05593562126159668 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.051038503646850586 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.05946969985961914 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.04817533493041992 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.06426835060119629 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.05451035499572754 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.05209159851074219 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.0769510269165039 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.08256864547729492 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.09500837326049805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.07941031455993652 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.1625080108642578 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepFBAM2J/test_handle_cvector-0: 1.20s /tmp/meepFBAM2J/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0034072399139404297 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 46.67690825536697 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192827 (76.4036% change) linmin: converged after 7 iterations. iteration 3: trace = 17.90281367460767 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745359328688 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.5750362373405 (5.44878% change) linmin: converged after 6 iterations. iteration 6: trace = 14.93685931304165 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204238656 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803968889915 (4.36364% change) linmin: converged after 7 iterations. iteration 9: trace = 13.72475703230866 (2.25685% change) linmin: converged after 7 iterations. iteration 10: trace = 13.4449672083815 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.0870945783322 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444592480164 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657794573715 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678335232455 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.817127356126 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216613217043 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973444709829 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959834770915 (4.30853% change) linmin: converged after 6 iterations. iteration 19: trace = 9.946119538511061 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108830354809 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211154753766 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783602261236 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907757286732 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023298863596 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859523338256 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495027457722 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127999012116943 (5.15934% change) linmin: converged after 5 iterations. iteration 28: trace = 6.950727449789542 (2.51829% change) linmin: converged after 6 iterations. iteration 29: trace = 6.788207341134048 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378886500324 (1.85597% change) linmin: converged after 9 iterations. iteration 31: trace = 6.387397232057848 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629971505896 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265325318604 (3.89779% change) linmin: converged after 8 iterations. iteration 34: trace = 5.676181980332874 (2.93511% change) linmin: converged after 7 iterations. iteration 35: trace = 5.533824091957901 (2.53984% change) linmin: converged after 5 iterations. iteration 36: trace = 5.376187992969611 (2.88975% change) linmin: converged after 9 iterations. iteration 37: trace = 5.264316051277635 (2.10276% change) linmin: converged after 7 iterations. iteration 38: trace = 5.138003198273514 (2.42855% change) linmin: converged after 9 iterations. iteration 39: trace = 5.056109244736515 (1.60669% change) linmin: converged after 5 iterations. iteration 40: trace = 4.96640635692655 (1.79003% change) linmin: converged after 5 iterations. iteration 41: trace = 4.865793975441762 (2.04659% change) linmin: converged after 10 iterations. iteration 42: trace = 4.755591673881687 (2.29078% change) linmin: converged after 7 iterations. iteration 43: trace = 4.669631009233785 (1.82406% change) linmin: converged after 6 iterations. iteration 44: trace = 4.618919977696827 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826432308583 (1.30955% change) linmin: converged after 6 iterations. iteration 46: trace = 4.516268882119356 (0.937898% change) linmin: converged after 7 iterations. iteration 47: trace = 4.466856007911902 (1.10013% change) linmin: converged after 5 iterations. iteration 48: trace = 4.402172774800399 (1.45863% change) linmin: converged after 5 iterations. iteration 49: trace = 4.348894252901269 (1.21765% change) linmin: converged after 7 iterations. iteration 50: trace = 4.277264325113683 (1.66076% change) linmin: converged after 6 iterations. iteration 51: trace = 4.218023521151729 (1.39467% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509146446154 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094397865629504 (1.4815% change) linmin: converged after 6 iterations. iteration 54: trace = 4.000042646124126 (2.33136% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502375777396 (1.95746% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850087977642069 (1.86333% change) linmin: converged after 6 iterations. iteration 57: trace = 3.791821624777387 (1.52492% change) linmin: converged after 4 iterations. iteration 58: trace = 3.753050559196221 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648583891644 (0.893974% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349095548178 (0.763716% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517519433416 (0.702244% change) linmin: converged after 6 iterations. iteration 62: trace = 3.642774781668295 (0.622382% change) linmin: converged after 5 iterations. iteration 63: trace = 3.621632100674366 (0.58209% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354196362829 (0.478216% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974644489242 (0.427606% change) linmin: converged after 6 iterations. iteration 66: trace = 3.575630701311873 (0.372496% change) linmin: converged after 5 iterations. iteration 67: trace = 3.563562012836774 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359767065565 (0.343004% change) linmin: converged after 5 iterations. iteration 69: trace = 3.53957597962671 (0.332362% change) resetting CG direction... large trace change predicted (2.94866%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405003635064 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606294579976 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178665740302 (0.938448% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511280245435 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395715525537 (0.576125% change) linmin: converged after 8 iterations. iteration 75: trace = 3.303101951303574 (0.160138% change) linmin: converged after 5 iterations. iteration 76: trace = 3.295500074315358 (0.230409% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073495842476 (0.225609% change) linmin: converged after 5 iterations. iteration 78: trace = 3.281432446120908 (0.202178% change) linmin: converged after 8 iterations. iteration 79: trace = 3.268340887157027 (0.399756% change) linmin: converged after 4 iterations. iteration 80: trace = 3.26333711864942 (0.153215% change) large trace change predicted (0.729754%) linmin: converged after 6 iterations. iteration 81: trace = 3.239916634185125 (0.72027% change) linmin: converged after 5 iterations. iteration 82: trace = 3.220325582509675 (0.606511% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541199516161 (0.678761% change) linmin: converged after 6 iterations. iteration 84: trace = 3.177521855519817 (0.65932% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689262575439 (0.594443% change) linmin: converged after 6 iterations. iteration 86: trace = 3.124351495816897 (1.09303% change) linmin: converged after 5 iterations. iteration 87: trace = 3.115938027466064 (0.26965% change) large trace change predicted (0.805529%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192367895892 (0.79733% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081043061865528 (0.32887% change) linmin: converged after 7 iterations. iteration 90: trace = 3.068577947245625 (0.405395% change) linmin: converged after 4 iterations. iteration 91: trace = 3.058935671134534 (0.314721% change) linmin: converged after 5 iterations. iteration 92: trace = 3.051808416393726 (0.23327% change) linmin: converged after 5 iterations. iteration 93: trace = 3.039400857003012 (0.407392% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435735111632 (0.0976037% change) large trace change predicted (0.289199%) linmin: converged after 5 iterations. iteration 95: trace = 3.027689303568482 (0.288465% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436184437964 (0.0744448% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123331503703 (0.10956% change) linmin: converged after 8 iterations. iteration 98: trace = 3.01955768263848 (0.0849316% change) linmin: converged after 8 iterations. iteration 99: trace = 3.017617428696139 (0.0642769% change) large trace change predicted (0.199214%) linmin: converged after 6 iterations. iteration 100: trace = 3.01170284730482 (0.196194% change) linmin: converged after 6 iterations. iteration 101: trace = 3.008822240665896 (0.0956929% change) large trace change predicted (0.494578%) linmin: converged after 8 iterations. iteration 102: trace = 2.993101172329537 (0.523868% change) large trace change predicted (2.76671%) linmin: converged after 11 iterations. iteration 103: trace = 2.971608131661818 (0.720674% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426372018933 (0.174528% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962577335962634 (0.129838% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663814503978 (0.0983925% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957614268408919 (0.0692733% change) linmin: converged after 6 iterations. iteration 108: trace = 2.956028315577791 (0.0536371% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446828534768 (0.0535147% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952645123350557 (0.0610014% change) linmin: converged after 3 iterations. iteration 111: trace = 2.950800747639175 (0.0624847% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162679603889 (0.0555281% change) linmin: converged after 6 iterations. iteration 113: trace = 2.947680769585623 (0.0502611% change) linmin: converged after 4 iterations. iteration 114: trace = 2.946174316059846 (0.0511195% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944665989901709 (0.0512092% change) linmin: converged after 11 iterations. iteration 116: trace = 2.94338718010785 (0.0434374% change) linmin: converged after 4 iterations. iteration 117: trace = 2.942363134458385 (0.0347975% change) linmin: converged after 5 iterations. iteration 118: trace = 2.941372527586286 (0.0336727% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940247056151807 (0.0382708% change) linmin: converged after 5 iterations. iteration 120: trace = 2.939086120553895 (0.0394921% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938049396688806 (0.0352799% change) linmin: converged after 8 iterations. iteration 122: trace = 2.937030122878281 (0.0346982% change) linmin: converged after 5 iterations. iteration 123: trace = 2.935785576218478 (0.0423833% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934267173084133 (0.0517339% change) linmin: converged after 5 iterations. iteration 125: trace = 2.932754060489035 (0.0515803% change) linmin: converged after 5 iterations. iteration 126: trace = 2.931393532103366 (0.0464016% change) linmin: converged after 6 iterations. iteration 127: trace = 2.930046495063065 (0.0459627% change) linmin: converged after 7 iterations. iteration 128: trace = 2.928605619303829 (0.049188% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927187007466751 (0.0484516% change) linmin: converged after 4 iterations. iteration 130: trace = 2.925926675436992 (0.0430654% change) linmin: converged after 5 iterations. iteration 131: trace = 2.924738662474098 (0.0406112% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387895027909 (0.0461949% change) linmin: converged after 5 iterations. iteration 133: trace = 2.921695653224211 (0.0579031% change) linmin: converged after 6 iterations. iteration 134: trace = 2.919768542575914 (0.0659804% change) linmin: converged after 5 iterations. iteration 135: trace = 2.917897153309016 (0.0641143% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91618011679791 (0.0588623% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914508467988806 (0.0573397% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912776681955193 (0.0594371% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911011678101686 (0.0606136% change) resetting CG direction... large trace change predicted (0.793652%) linmin: converged after 4 iterations. iteration 140: trace = 2.888448142915038 (0.778125% change) large trace change predicted (2.41105%) linmin: converged after 6 iterations. iteration 141: trace = 2.824398529445118 (2.2423% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788320471782379 (1.28558% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760127495906069 (1.01625% change) linmin: converged after 3 iterations. iteration 144: trace = 2.74730282532291 (0.465722% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742809408693551 (0.163691% change) linmin: converged after 5 iterations. iteration 146: trace = 2.736560058301035 (0.228105% change) linmin: converged after 5 iterations. iteration 147: trace = 2.734950336139924 (0.0588401% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082786847843 (0.104903% change) linmin: converged after 4 iterations. iteration 149: trace = 2.731340381039817 (0.0271773% change) large trace change predicted (0.0664551%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522755863807 (0.0665692% change) linmin: converged after 4 iterations. iteration 151: trace = 2.728915130841332 (0.0222637% change) linmin: converged after 5 iterations. iteration 152: trace = 2.727938729485695 (0.0357862% change) linmin: converged after 3 iterations. iteration 153: trace = 2.727649653611959 (0.0105974% change) large trace change predicted (0.0314754%) linmin: converged after 7 iterations. iteration 154: trace = 2.72679207296228 (0.0314452% change) linmin: converged after 4 iterations. iteration 155: trace = 2.72641448325213 (0.0138484% change) large trace change predicted (0.0747233%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395947852308 (0.0740637% change) linmin: converged after 5 iterations. iteration 157: trace = 2.723688292409418 (0.0259781% change) linmin: converged after 6 iterations. iteration 158: trace = 2.722564803544207 (0.0412573% change) linmin: converged after 5 iterations. iteration 159: trace = 2.721743271194884 (0.0301795% change) linmin: converged after 8 iterations. iteration 160: trace = 2.720173035563441 (0.0577089% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719127715449163 (0.0384358% change) large trace change predicted (0.105615%) linmin: converged after 5 iterations. iteration 162: trace = 2.716259971523434 (0.105521% change) linmin: converged after 8 iterations. iteration 163: trace = 2.715293174461638 (0.0355993% change) large trace change predicted (0.139376%) linmin: converged after 5 iterations. iteration 164: trace = 2.711485804408327 (0.140318% change) linmin: converged after 6 iterations. iteration 165: trace = 2.71054890721527 (0.0345589% change) large trace change predicted (0.0881075%) linmin: converged after 4 iterations. iteration 166: trace = 2.70814144600202 (0.0888577% change) linmin: converged after 5 iterations. iteration 167: trace = 2.707016516787054 (0.0415474% change) linmin: converged after 4 iterations. iteration 168: trace = 2.705086929583155 (0.0713064% change) linmin: converged after 4 iterations. iteration 169: trace = 2.70424874894955 (0.0309902% change) linmin: converged after 5 iterations. iteration 170: trace = 2.702867000300367 (0.0511085% change) linmin: converged after 7 iterations. iteration 171: trace = 2.70231459664786 (0.0204398% change) large trace change predicted (0.0431715%) linmin: converged after 7 iterations. iteration 172: trace = 2.701149069533886 (0.04314% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717618968319 (0.0159741% change) linmin: converged after 4 iterations. iteration 174: trace = 2.699927033421598 (0.0292775% change) linmin: converged after 7 iterations. iteration 175: trace = 2.699504650342186 (0.0156455% change) linmin: converged after 5 iterations. iteration 176: trace = 2.698895629440849 (0.022563% change) linmin: converged after 9 iterations. iteration 177: trace = 2.698452371038478 (0.016425% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697994046170131 (0.0169862% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465372341332 (0.019597% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665720695167 (0.029649% change) linmin: converged after 6 iterations. iteration 181: trace = 2.696203232256923 (0.0171519% change) large trace change predicted (0.0346661%) linmin: converged after 6 iterations. iteration 182: trace = 2.69526764984018 (0.034706% change) linmin: converged after 6 iterations. iteration 183: trace = 2.694439472067331 (0.0307318% change) large trace change predicted (0.0623143%) linmin: converged after 4 iterations. iteration 184: trace = 2.692754916969655 (0.0625392% change) linmin: converged after 9 iterations. iteration 185: trace = 2.690742262506675 (0.0747713% change) linmin: converged after 8 iterations. iteration 186: trace = 2.687554655300269 (0.118536% change) linmin: converged after 7 iterations. iteration 187: trace = 2.685786652788846 (0.0658064% change) large trace change predicted (0.272371%) linmin: converged after 5 iterations. iteration 188: trace = 2.678470801265393 (0.272763% change) linmin: converged after 11 iterations. iteration 189: trace = 2.675876930557866 (0.0968884% change) large trace change predicted (0.339216%) linmin: converged after 4 iterations. iteration 190: trace = 2.666751007989556 (0.341627% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662939772318645 (0.143019% change) linmin: converged after 8 iterations. iteration 192: trace = 2.6570957936969 (0.219697% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653505191516707 (0.135224% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648512567672112 (0.188329% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319307470468 (0.120641% change) linmin: converged after 8 iterations. iteration 196: trace = 2.643041243277609 (0.0861539% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639075345586344 (0.150163% change) linmin: converged after 8 iterations. iteration 198: trace = 2.637975794917315 (0.0416729% change) large trace change predicted (0.120109%) linmin: converged after 4 iterations. iteration 199: trace = 2.6347848756454 (0.121034% change) linmin: converged after 7 iterations. iteration 200: trace = 2.633990400174567 (0.0301579% change) large trace change predicted (0.084429%) linmin: converged after 3 iterations. iteration 201: trace = 2.631748367470405 (0.0851555% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630651395570984 (0.0416909% change) large trace change predicted (0.0973802%) linmin: converged after 4 iterations. iteration 203: trace = 2.628069802659518 (0.0981833% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626791948770913 (0.0486351% change) large trace change predicted (0.143408%) linmin: converged after 3 iterations. iteration 205: trace = 2.622972464462565 (0.145511% change) linmin: converged after 4 iterations. iteration 206: trace = 2.62137931476261 (0.0607568% change) large trace change predicted (0.233938%) linmin: converged after 5 iterations. iteration 207: trace = 2.615108862906026 (0.239491% change) linmin: converged after 7 iterations. iteration 208: trace = 2.612606963425868 (0.0957167% change) large trace change predicted (0.27492%) linmin: converged after 5 iterations. iteration 209: trace = 2.605255134281273 (0.281795% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602477223703874 (0.106684% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598216037768704 (0.16387% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595396138286241 (0.108591% change) linmin: converged after 5 iterations. iteration 213: trace = 2.59369065669353 (0.0657334% change) large trace change predicted (0.153546%) linmin: converged after 3 iterations. iteration 214: trace = 2.589709627658045 (0.153607% change) linmin: converged after 6 iterations. iteration 215: trace = 2.588679155914417 (0.0397989% change) large trace change predicted (0.210583%) linmin: converged after 6 iterations. iteration 216: trace = 2.583223312963154 (0.21098% change) linmin: converged after 4 iterations. iteration 217: trace = 2.581702254311597 (0.0588995% change) large trace change predicted (0.132821%) linmin: converged after 6 iterations. iteration 218: trace = 2.578270197927912 (0.133026% change) linmin: converged after 6 iterations. iteration 219: trace = 2.575888725703486 (0.0924097% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572954614756323 (0.113972% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568436887211891 (0.175739% change) linmin: converged after 6 iterations. iteration 222: trace = 2.565754156116316 (0.104505% change) large trace change predicted (0.26702%) linmin: converged after 3 iterations. iteration 223: trace = 2.558855227493864 (0.269247% change) linmin: converged after 8 iterations. iteration 224: trace = 2.555875149165833 (0.116529% change) large trace change predicted (0.377693%) linmin: converged after 4 iterations. iteration 225: trace = 2.546133802956017 (0.381863% change) linmin: converged after 5 iterations. iteration 226: trace = 2.542348545364042 (0.148777% change) large trace change predicted (0.354923%) linmin: converged after 3 iterations. iteration 227: trace = 2.533247909681618 (0.358604% change) linmin: converged after 5 iterations. iteration 228: trace = 2.52944056399868 (0.150408% change) large trace change predicted (0.345371%) linmin: converged after 3 iterations. iteration 229: trace = 2.5206305991173 (0.348905% change) linmin: converged after 4 iterations. iteration 230: trace = 2.51816967107793 (0.0976791% change) large trace change predicted (0.267835%) linmin: converged after 4 iterations. iteration 231: trace = 2.511377270666094 (0.2701% change) linmin: converged after 4 iterations. iteration 232: trace = 2.510074196505032 (0.0519003% change) large trace change predicted (0.139196%) linmin: converged after 3 iterations. iteration 233: trace = 2.506567748091834 (0.139793% change) linmin: converged after 7 iterations. iteration 234: trace = 2.505717279703183 (0.0339354% change) large trace change predicted (0.0884214%) linmin: converged after 5 iterations. iteration 235: trace = 2.503500799797439 (0.088496% change) linmin: converged after 4 iterations. iteration 236: trace = 2.502216521291701 (0.0513125% change) large trace change predicted (0.11452%) linmin: converged after 3 iterations. iteration 237: trace = 2.499340672985017 (0.114998% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498350428140531 (0.0396281% change) large trace change predicted (0.14564%) linmin: converged after 3 iterations. iteration 239: trace = 2.494686987932495 (0.146742% change) linmin: converged after 4 iterations. iteration 240: trace = 2.493228520164578 (0.0584801% change) large trace change predicted (0.142697%) linmin: converged after 3 iterations. iteration 241: trace = 2.48964347618776 (0.143895% change) linmin: converged after 3 iterations. iteration 242: trace = 2.486028881270396 (0.145291% change) linmin: converged after 3 iterations. iteration 243: trace = 2.483368318122671 (0.107078% change) linmin: converged after 3 iterations. iteration 244: trace = 2.478518622861437 (0.195478% change) linmin: converged after 5 iterations. iteration 245: trace = 2.477026426789863 (0.0602233% change) large trace change predicted (0.245988%) linmin: converged after 3 iterations. iteration 246: trace = 2.470896088255247 (0.247794% change) linmin: converged after 4 iterations. iteration 247: trace = 2.468300210724617 (0.105113% change) linmin: converged after 3 iterations. iteration 248: trace = 2.463583629401084 (0.191269% change) linmin: converged after 3 iterations. iteration 249: trace = 2.46067683243128 (0.11806% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458729894015705 (0.0791534% change) large trace change predicted (0.169588%) linmin: converged after 3 iterations. iteration 251: trace = 2.454521056562851 (0.171326% change) linmin: converged after 4 iterations. iteration 252: trace = 2.453319030919832 (0.0489839% change) large trace change predicted (0.15002%) linmin: converged after 3 iterations. iteration 253: trace = 2.4495997395669 (0.151717% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448825957669639 (0.0315931% change) linmin: converged after 3 iterations. iteration 255: trace = 2.447788558849253 (0.0423721% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447349126315899 (0.0179538% change) linmin: converged after 6 iterations. iteration 257: trace = 2.447071686602103 (0.011337% change) linmin: converged after 4 iterations. iteration 258: trace = 2.446596832689071 (0.0194069% change) linmin: converged after 4 iterations. iteration 259: trace = 2.446430562393578 (0.00679621% change) large trace change predicted (0.0307962%) linmin: converged after 10 iterations. iteration 260: trace = 2.44567687847763 (0.0308122% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445325345094278 (0.0143747% change) large trace change predicted (0.05492%) linmin: converged after 3 iterations. iteration 262: trace = 2.443979770037124 (0.0550416% change) linmin: converged after 4 iterations. iteration 263: trace = 2.44305638584285 (0.0377891% change) large trace change predicted (0.0904362%) linmin: converged after 3 iterations. iteration 264: trace = 2.440833015266923 (0.0910492% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439858189144393 (0.0399462% change) large trace change predicted (0.140562%) linmin: converged after 3 iterations. iteration 266: trace = 2.436397975130141 (0.141921% change) linmin: converged after 6 iterations. iteration 267: trace = 2.435157895183555 (0.050911% change) large trace change predicted (0.127522%) linmin: converged after 3 iterations. iteration 268: trace = 2.43202617245744 (0.128687% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430969550997157 (0.0434556% change) large trace change predicted (0.0887546%) linmin: converged after 3 iterations. iteration 270: trace = 2.42880157882767 (0.0892212% change) linmin: converged after 7 iterations. iteration 271: trace = 2.428201456661499 (0.0247116% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427427734478417 (0.0318691% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427198897357013 (0.00942759% change) large trace change predicted (0.0225412%) linmin: converged after 3 iterations. iteration 274: trace = 2.426651296846774 (0.0225636% change) linmin: converged after 4 iterations. iteration 275: trace = 2.426515350666962 (0.00560237% change) large trace change predicted (0.0150731%) linmin: converged after 3 iterations. iteration 276: trace = 2.426149299236999 (0.0150866% change) linmin: converged after 7 iterations. iteration 277: trace = 2.42604334861077 (0.00436712% change) large trace change predicted (0.0121257%) linmin: converged after 3 iterations. iteration 278: trace = 2.42574907504963 (0.0121305% change) linmin: converged after 11 iterations. iteration 279: trace = 2.425615310147062 (0.00551453% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.425506385924794 (0.00449068% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425431464711454 (0.00308894% change) large trace change predicted (0.00816072%) linmin: converged after 5 iterations. iteration 282: trace = 2.425233494215989 (0.00816261% change) linmin: converged after 4 iterations. iteration 283: trace = 2.425191051463706 (0.00175006% change) large trace change predicted (0.0109637%) linmin: converged after 3 iterations. iteration 284: trace = 2.424924955529138 (0.0109728% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424747887601169 (0.00730226% change) linmin: converged after 3 iterations. iteration 286: trace = 2.424478501035183 (0.0111105% change) linmin: converged after 3 iterations. iteration 287: trace = 2.423971458328519 (0.0209157% change) linmin: converged after 6 iterations. iteration 288: trace = 2.423717030054782 (0.0104969% change) large trace change predicted (0.0317176%) linmin: converged after 3 iterations. iteration 289: trace = 2.422947586453366 (0.0317515% change) linmin: converged after 4 iterations. iteration 290: trace = 2.42228556016201 (0.0273269% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421904687749536 (0.0157249% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421236419701018 (0.0275965% change) linmin: converged after 4 iterations. iteration 293: trace = 2.421045726669086 (0.00787616% change) linmin: converged after 5 iterations. iteration 294: trace = 2.420813235710075 (0.00960338% change) linmin: converged after 4 iterations. iteration 295: trace = 2.420558403607004 (0.0105273% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420470766247239 (0.00362061% change) linmin: converged after 3 iterations. iteration 297: trace = 2.42030742835497 (0.00674841% change) linmin: converged after 6 iterations. iteration 298: trace = 2.42008914399855 (0.00901928% change) linmin: converged after 6 iterations. iteration 299: trace = 2.420013355724126 (0.00313168% change) large trace change predicted (0.00903628%) linmin: converged after 6 iterations. iteration 300: trace = 2.419794874537123 (0.00902851% change) linmin: converged after 8 iterations. iteration 301: trace = 2.419694818831106 (0.00413497% change) linmin: converged after 7 iterations. iteration 302: trace = 2.419595457686937 (0.00410643% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419455515478322 (0.00578387% change) linmin: converged after 6 iterations. iteration 304: trace = 2.419425425092193 (0.00124369% change) large trace change predicted (0.00714945%) linmin: converged after 5 iterations. iteration 305: trace = 2.419252495095128 (0.00714782% change) linmin: converged after 5 iterations. iteration 306: trace = 2.419197261242302 (0.00228312% change) large trace change predicted (0.0104159%) linmin: converged after 4 iterations. iteration 307: trace = 2.418945219040458 (0.010419% change) linmin: converged after 7 iterations. iteration 308: trace = 2.418764931361188 (0.00745343% change) linmin: converged after 3 iterations. iteration 309: trace = 2.418452005249057 (0.0129383% change) linmin: converged after 4 iterations. iteration 310: trace = 2.417885841262164 (0.0234129% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417564430046233 (0.013294% change) large trace change predicted (0.0344346%) linmin: converged after 5 iterations. iteration 312: trace = 2.416733917171363 (0.0343592% change) linmin: converged after 4 iterations. iteration 313: trace = 2.41653411035595 (0.00826798% change) linmin: converged after 4 iterations. iteration 314: trace = 2.416251600401907 (0.0116914% change) linmin: converged after 4 iterations. iteration 315: trace = 2.416151342024927 (0.00414942% change) linmin: converged after 5 iterations. iteration 316: trace = 2.416062835272836 (0.0036632% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415963394951248 (0.00411589% change) linmin: converged after 5 iterations. iteration 318: trace = 2.415935483954964 (0.00115528% change) large trace change predicted (0.00393661%) linmin: converged after 6 iterations. iteration 319: trace = 2.41584036978655 (0.00393703% change) linmin: converged after 5 iterations. iteration 320: trace = 2.415814169939886 (0.00108451% change) large trace change predicted (0.00285898%) linmin: converged after 5 iterations. iteration 321: trace = 2.415745111655867 (0.00285863% change) linmin: converged after 6 iterations. iteration 322: trace = 2.415683359006886 (0.00255629% change) linmin: converged after 6 iterations. iteration 323: trace = 2.415622097442928 (0.00253603% change) large trace change predicted (0.00647219%) linmin: converged after 4 iterations. iteration 324: trace = 2.415465758960213 (0.00647219% change) linmin: converged after 6 iterations. iteration 325: trace = 2.415417059785462 (0.00201616% change) large trace change predicted (0.00964655%) linmin: converged after 4 iterations. iteration 326: trace = 2.415184059580815 (0.00964684% change) linmin: converged after 4 iterations. iteration 327: trace = 2.415110017744065 (0.00306573% change) large trace change predicted (0.00819718%) linmin: converged after 5 iterations. iteration 328: trace = 2.414912074075603 (0.00819639% change) linmin: converged after 5 iterations. iteration 329: trace = 2.414818246002999 (0.00388544% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414735367126567 (0.00343215% change) linmin: converged after 3 iterations. iteration 331: trace = 2.414621792742087 (0.0047035% change) linmin: converged after 3 iterations. iteration 332: trace = 2.414550424412506 (0.00295572% change) linmin: converged after 6 iterations. iteration 333: trace = 2.414495109706231 (0.00229092% change) linmin: converged after 5 iterations. iteration 334: trace = 2.414423377558997 (0.00297094% change) linmin: converged after 3 iterations. iteration 335: trace = 2.414384691070278 (0.00160232% change) linmin: converged after 5 iterations. iteration 336: trace = 2.414341000176852 (0.00180962% change) linmin: converged after 5 iterations. iteration 337: trace = 2.41430055230594 (0.00167533% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414274317536414 (0.00108665% change) linmin: converged after 4 iterations. iteration 339: trace = 2.41425507287523 (0.000797123% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414236649452086 (0.000763113% change) linmin: converged after 6 iterations. iteration 341: trace = 2.414224726454799 (0.000493863% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414202726807066 (0.000911255% change) linmin: converged after 5 iterations. iteration 343: trace = 2.414178937106441 (0.000985411% change) linmin: converged after 5 iterations. iteration 344: trace = 2.414149798616576 (0.00120698% change) large trace change predicted (0.00299082%) linmin: converged after 6 iterations. iteration 345: trace = 2.41407759654868 (0.00299083% change) linmin: converged after 5 iterations. iteration 346: trace = 2.414004119437057 (0.00304374% change) large trace change predicted (0.00977882%) linmin: converged after 3 iterations. iteration 347: trace = 2.413767806995419 (0.00978971% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413687330364036 (0.00333412% change) large trace change predicted (0.0093437%) linmin: converged after 4 iterations. iteration 349: trace = 2.413461511077041 (0.00935622% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.413386434649297 (0.00311078% change) linmin: converged after 4 iterations. iteration 351: trace = 2.413305808082804 (0.00334086% change) linmin: converged after 4 iterations. iteration 352: trace = 2.4132488100235 (0.00236185% change) linmin: converged after 3 iterations. iteration 353: trace = 2.413211046121611 (0.00156487% change) linmin: converged after 5 iterations. iteration 354: trace = 2.413173536575557 (0.00155435% change) linmin: converged after 5 iterations. iteration 355: trace = 2.413167248421996 (0.000260576% change) large trace change predicted (0.000848795%) linmin: converged after 6 iterations. iteration 356: trace = 2.41314676709324 (0.000848736% change) linmin: converged after 5 iterations. iteration 357: trace = 2.413131917825763 (0.000615351% change) linmin: converged after 5 iterations. iteration 358: trace = 2.413123573766763 (0.000345778% change) large trace change predicted (0.000779705%) linmin: converged after 3 iterations. iteration 359: trace = 2.413104759268773 (0.000779677% change) linmin: converged after 4 iterations. iteration 360: trace = 2.413096158627766 (0.000356415% change) large trace change predicted (0.00114948%) linmin: converged after 4 iterations. iteration 361: trace = 2.413068415289525 (0.00114971% change) linmin: converged after 4 iterations. iteration 362: trace = 2.413062298339944 (0.000253493% change) large trace change predicted (0.000788004%) linmin: converged after 3 iterations. iteration 363: trace = 2.413043281903275 (0.000788066% change) linmin: converged after 6 iterations. iteration 364: trace = 2.413030650567991 (0.000523462% change) linmin: converged after 5 iterations. iteration 365: trace = 2.413016332836997 (0.000593352% change) large trace change predicted (0.00154277%) linmin: converged after 3 iterations. iteration 366: trace = 2.412979106526986 (0.00154274% change) linmin: converged after 16 iterations. iteration 367: trace = 2.41296256945816 (0.000685341% change) large trace change predicted (0.00259056%) linmin: converged after 4 iterations. iteration 368: trace = 2.412900063137797 (0.00259047% change) linmin: converged after 6 iterations. iteration 369: trace = 2.412862555151076 (0.00155449% change) large trace change predicted (0.00379101%) linmin: converged after 5 iterations. iteration 370: trace = 2.412771119267362 (0.00378959% change) linmin: converged after 6 iterations. iteration 371: trace = 2.412695634740488 (0.00312859% change) linmin: converged after 4 iterations. iteration 372: trace = 2.41264341456597 (0.00216441% change) linmin: converged after 5 iterations. iteration 373: trace = 2.412564555075086 (0.00326865% change) linmin: converged after 5 iterations. iteration 374: trace = 2.412538035336315 (0.00109924% change) large trace change predicted (0.00243144%) linmin: converged after 6 iterations. iteration 375: trace = 2.412479376231941 (0.00243146% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412467342269555 (0.000498823% change) large trace change predicted (0.00103276%) linmin: converged after 6 iterations. iteration 377: trace = 2.412442424999895 (0.00103286% change) linmin: converged after 6 iterations. iteration 378: trace = 2.412431726272443 (0.000443482% change) linmin: converged after 5 iterations. iteration 379: trace = 2.412421034374853 (0.000443201% change) linmin: converged after 6 iterations. iteration 380: trace = 2.412401544746259 (0.00080789% change) linmin: converged after 5 iterations. iteration 381: trace = 2.412392782882931 (0.000363202% change) large trace change predicted (0.00196816%) linmin: converged after 3 iterations. iteration 382: trace = 2.412345286815266 (0.00196886% change) linmin: converged after 5 iterations. iteration 383: trace = 2.412321399839644 (0.000990202% change) large trace change predicted (0.00315659%) linmin: converged after 4 iterations. iteration 384: trace = 2.412245236804718 (0.0031573% change) linmin: converged after 5 iterations. iteration 385: trace = 2.412195786171072 (0.00205% change) linmin: converged after 5 iterations. iteration 386: trace = 2.412141590352857 (0.00224677% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412062577249244 (0.00327569% change) linmin: converged after 5 iterations. iteration 388: trace = 2.412032968311365 (0.00122754% change) large trace change predicted (0.0068887%) linmin: converged after 5 iterations. iteration 389: trace = 2.411866774488818 (0.00689043% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411792401185717 (0.00308369% change) linmin: converged after 5 iterations. iteration 391: trace = 2.41167694189856 (0.0047874% change) linmin: converged after 6 iterations. iteration 392: trace = 2.411554708220565 (0.00506854% change) linmin: converged after 5 iterations. iteration 393: trace = 2.411513927622201 (0.00169106% change) large trace change predicted (0.00349877%) linmin: converged after 4 iterations. iteration 394: trace = 2.411429523232661 (0.00350012% change) linmin: converged after 5 iterations. iteration 395: trace = 2.411388532957937 (0.00169985% change) linmin: converged after 5 iterations. iteration 396: trace = 2.411346315754386 (0.00175076% change) linmin: converged after 3 iterations. iteration 397: trace = 2.411304516312421 (0.00173346% change) linmin: converged after 7 iterations. iteration 398: trace = 2.411286660605563 (0.000740503% change) large trace change predicted (0.00153433%) linmin: converged after 5 iterations. iteration 399: trace = 2.41124965539844 (0.00153468% change) linmin: converged after 5 iterations. iteration 400: trace = 2.411230610479458 (0.000789839% change) linmin: converged after 5 iterations. iteration 401: trace = 2.411196244364239 (0.00142526% change) large trace change predicted (0.00292356%) linmin: converged after 5 iterations. iteration 402: trace = 2.411125719503228 (0.00292493% change) linmin: converged after 5 iterations. iteration 403: trace = 2.411078229031088 (0.00196966% change) large trace change predicted (0.00746489%) linmin: converged after 5 iterations. iteration 404: trace = 2.410898129574305 (0.00746994% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410842941701281 (0.00228913% change) large trace change predicted (0.00770571%) linmin: converged after 6 iterations. iteration 406: trace = 2.410657065888799 (0.00771029% change) linmin: converged after 4 iterations. iteration 407: trace = 2.410502926941938 (0.00639427% change) linmin: converged after 4 iterations. iteration 408: trace = 2.410427868635873 (0.00311385% change) large trace change predicted (0.00706503%) linmin: converged after 8 iterations. iteration 409: trace = 2.410257521902843 (0.00706732% change) linmin: converged after 8 iterations. iteration 410: trace = 2.410221980438839 (0.0014746% change) linmin: converged after 5 iterations. iteration 411: trace = 2.410151957792329 (0.00290528% change) linmin: converged after 4 iterations. iteration 412: trace = 2.410104979853131 (0.00194919% change) linmin: converged after 5 iterations. iteration 413: trace = 2.410074948488489 (0.00124607% change) linmin: converged after 4 iterations. iteration 414: trace = 2.410017691600833 (0.00237576% change) linmin: converged after 8 iterations. iteration 415: trace = 2.409984969371745 (0.00135777% change) linmin: converged after 3 iterations. iteration 416: trace = 2.409921987043194 (0.00261343% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409861004380872 (0.00253051% change) linmin: converged after 6 iterations. iteration 418: trace = 2.409831187072331 (0.00123731% change) large trace change predicted (0.00427331%) linmin: converged after 4 iterations. iteration 419: trace = 2.409728146658982 (0.00427593% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.40970147888435 (0.00110668% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409687210926401 (0.000592107% change) large trace change predicted (0.00193327%) linmin: converged after 5 iterations. iteration 422: trace = 2.409640631368262 (0.00193303% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409618934783449 (0.000900412% change) large trace change predicted (0.00398567%) linmin: converged after 3 iterations. iteration 424: trace = 2.409522903805374 (0.0039854% change) linmin: converged after 5 iterations. iteration 425: trace = 2.409482308024622 (0.00168482% change) linmin: converged after 4 iterations. iteration 426: trace = 2.409425250025307 (0.00236809% change) linmin: converged after 3 iterations. iteration 427: trace = 2.409376627490277 (0.00201803% change) linmin: converged after 5 iterations. iteration 428: trace = 2.409360314604824 (0.000677061% change) large trace change predicted (0.00221129%) linmin: converged after 5 iterations. iteration 429: trace = 2.40930702749114 (0.0022117% change) linmin: converged after 8 iterations. iteration 430: trace = 2.409249243709464 (0.00239839% change) linmin: converged after 5 iterations. iteration 431: trace = 2.409195201311559 (0.00224315% change) large trace change predicted (0.00480342%) linmin: converged after 5 iterations. iteration 432: trace = 2.409079436407521 (0.00480524% change) linmin: converged after 6 iterations. iteration 433: trace = 2.409036739092051 (0.00177237% change) large trace change predicted (0.00461077%) linmin: converged after 4 iterations. iteration 434: trace = 2.408925674196643 (0.00461045% change) linmin: converged after 4 iterations. iteration 435: trace = 2.408849660402271 (0.00315556% change) linmin: converged after 5 iterations. iteration 436: trace = 2.408785112227291 (0.00267966% change) linmin: converged after 4 iterations. iteration 437: trace = 2.408671901645651 (0.00470001% change) linmin: converged after 3 iterations. iteration 438: trace = 2.408652271204432 (0.000814994% change) large trace change predicted (0.00262957%) linmin: converged after 4 iterations. iteration 439: trace = 2.408588955931056 (0.00262869% change) linmin: converged after 8 iterations. iteration 440: trace = 2.408573834653069 (0.000627808% change) linmin: converged after 4 iterations. iteration 441: trace = 2.408544638048476 (0.0012122% change) linmin: converged after 2 iterations. iteration 442: trace = 2.408524791908381 (0.000823992% change) linmin: converged after 5 iterations. iteration 443: trace = 2.40851419524881 (0.000439966% change) large trace change predicted (0.00138376%) linmin: converged after 4 iterations. iteration 444: trace = 2.40848086631135 (0.00138381% change) linmin: converged after 5 iterations. iteration 445: trace = 2.408461387106721 (0.000808779% change) large trace change predicted (0.00184068%) linmin: converged after 5 iterations. iteration 446: trace = 2.408417050970341 (0.00184087% change) linmin: converged after 3 iterations. iteration 447: trace = 2.408370527606705 (0.00193172% change) linmin: converged after 4 iterations. iteration 448: trace = 2.408336804660302 (0.00140025% change) linmin: converged after 5 iterations. iteration 449: trace = 2.408284611550768 (0.00216721% change) linmin: converged after 5 iterations. iteration 450: trace = 2.408253436532293 (0.0012945% change) linmin: converged after 3 iterations. iteration 451: trace = 2.408191162413356 (0.0025859% change) linmin: converged after 6 iterations. iteration 452: trace = 2.408133680701252 (0.00238695% change) linmin: converged after 6 iterations. iteration 453: trace = 2.408088041127709 (0.00189524% change) large trace change predicted (0.00392028%) linmin: converged after 3 iterations. iteration 454: trace = 2.407993663125156 (0.00391929% change) linmin: converged after 6 iterations. iteration 455: trace = 2.407964535303353 (0.00120964% change) large trace change predicted (0.0024464%) linmin: converged after 3 iterations. iteration 456: trace = 2.407905631451386 (0.00244624% change) linmin: converged after 6 iterations. iteration 457: trace = 2.407858509250551 (0.001957% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407844530038918 (0.000580568% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407816820607651 (0.0011508% change) linmin: converged after 6 iterations. iteration 460: trace = 2.407812512719409 (0.000178913% change) large trace change predicted (0.000483245%) linmin: converged after 13 iterations. iteration 461: trace = 2.40780087819417 (0.0004832% change) linmin: converged after 4 iterations. iteration 462: trace = 2.407794661399401 (0.000258194% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407789494891275 (0.000214575% change) large trace change predicted (0.00088323%) linmin: converged after 5 iterations. iteration 464: trace = 2.407768232546402 (0.000883069% change) linmin: converged after 5 iterations. iteration 465: trace = 2.407759494214948 (0.000362923% change) large trace change predicted (0.00211486%) linmin: converged after 4 iterations. iteration 466: trace = 2.407708592018342 (0.00211411% change) linmin: converged after 4 iterations. iteration 467: trace = 2.407675554988585 (0.00137215% change) linmin: converged after 4 iterations. iteration 468: trace = 2.407622940142824 (0.00218532% change) linmin: converged after 10 iterations. iteration 469: trace = 2.407575908380863 (0.00195347% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407555363912389 (0.00085333% change) large trace change predicted (0.00244944%) linmin: converged after 3 iterations. iteration 471: trace = 2.407496409876307 (0.00244874% change) linmin: converged after 4 iterations. iteration 472: trace = 2.407469939316644 (0.00109951% change) linmin: converged after 3 iterations. iteration 473: trace = 2.407438034055737 (0.00132527% change) linmin: converged after 5 iterations. iteration 474: trace = 2.407409185125543 (0.00119833% change) linmin: converged after 4 iterations. iteration 475: trace = 2.407401324309179 (0.000326527% change) large trace change predicted (0.000735905%) linmin: converged after 6 iterations. iteration 476: trace = 2.407383609612983 (0.000735846% change) linmin: converged after 6 iterations. iteration 477: trace = 2.407375220785283 (0.000348463% change) large trace change predicted (0.000781928%) linmin: converged after 5 iterations. iteration 478: trace = 2.407356399350062 (0.000781827% change) linmin: converged after 4 iterations. iteration 479: trace = 2.407340379218086 (0.000665468% change) linmin: converged after 7 iterations. iteration 480: trace = 2.407334955638029 (0.000225294% change) large trace change predicted (0.000888633%) linmin: converged after 3 iterations. iteration 481: trace = 2.407313564046815 (0.000888604% change) linmin: converged after 5 iterations. iteration 482: trace = 2.407309548045058 (0.000166825% change) large trace change predicted (0.000616995%) linmin: converged after 4 iterations. iteration 483: trace = 2.407294695271179 (0.000616988% change) linmin: converged after 5 iterations. iteration 484: trace = 2.407281115532553 (0.000564109% change) linmin: converged after 5 iterations. iteration 485: trace = 2.407271414250927 (0.000402998% change) large trace change predicted (0.00139438%) linmin: converged after 5 iterations. iteration 486: trace = 2.407237857736547 (0.00139397% change) linmin: converged after 6 iterations. iteration 487: trace = 2.407223779029771 (0.000584851% change) large trace change predicted (0.00416875%) linmin: converged after 6 iterations. iteration 488: trace = 2.407123526952789 (0.00416472% change) linmin: converged after 5 iterations. iteration 489: trace = 2.407026330795406 (0.00403794% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.406957269518961 (0.00286919% change) linmin: converged after 5 iterations. iteration 491: trace = 2.406870496565155 (0.00360515% change) linmin: converged after 4 iterations. iteration 492: trace = 2.406844872411499 (0.00106463% change) linmin: converged after 6 iterations. iteration 493: trace = 2.406823222726326 (0.000899509% change) linmin: converged after 4 iterations. iteration 494: trace = 2.406798510252978 (0.00102677% change) linmin: converged after 6 iterations. iteration 495: trace = 2.406792109081453 (0.000265962% change) large trace change predicted (0.000867646%) linmin: converged after 3 iterations. iteration 496: trace = 2.406771227114573 (0.00086763% change) linmin: converged after 12 iterations. iteration 497: trace = 2.406764503990177 (0.000279342% change) large trace change predicted (0.000566493%) linmin: converged after 8 iterations. iteration 498: trace = 2.40675087105694 (0.000566444% change) linmin: converged after 7 iterations. iteration 499: trace = 2.406738055778725 (0.000532474% change) linmin: converged after 7 iterations. iteration 500: trace = 2.406732425392003 (0.000233943% change) large trace change predicted (0.000756148%) linmin: converged after 5 iterations. iteration 501: trace = 2.406714229111141 (0.00075606% change) linmin: converged after 5 iterations. iteration 502: trace = 2.406705294928117 (0.00037122% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406690710234951 (0.000606004% change) linmin: converged after 5 iterations. iteration 504: trace = 2.40667063234783 (0.000834256% change) linmin: converged after 5 iterations. iteration 505: trace = 2.406661194691035 (0.000392147% change) large trace change predicted (0.00113089%) linmin: converged after 3 iterations. iteration 506: trace = 2.406633974864492 (0.00113103% change) linmin: converged after 5 iterations. iteration 507: trace = 2.406607392676347 (0.00110454% change) linmin: converged after 4 iterations. iteration 508: trace = 2.406575829183933 (0.00131154% change) linmin: converged after 3 iterations. iteration 509: trace = 2.406521134375334 (0.00227275% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406503241437983 (0.000743522% change) large trace change predicted (0.00300957%) linmin: converged after 6 iterations. iteration 511: trace = 2.406430832869664 (0.00300892% change) linmin: converged after 4 iterations. iteration 512: trace = 2.406387361342657 (0.00180649% change) linmin: converged after 5 iterations. iteration 513: trace = 2.406355518966213 (0.00132325% change) linmin: converged after 4 iterations. iteration 514: trace = 2.406329490383353 (0.00108167% change) linmin: converged after 4 iterations. iteration 515: trace = 2.406320645471696 (0.000367569% change) linmin: converged after 2 iterations. iteration 516: trace = 2.406303123871054 (0.000728152% change) linmin: converged after 6 iterations. iteration 517: trace = 2.406294411613941 (0.00036206% change) linmin: converged after 5 iterations. iteration 518: trace = 2.406286414055346 (0.00033236% change) linmin: converged after 11 iterations. iteration 519: trace = 2.406271583428192 (0.00061633% change) linmin: converged after 5 iterations. iteration 520: trace = 2.406263308925204 (0.000343873% change) large trace change predicted (0.000915081%) linmin: converged after 5 iterations. iteration 521: trace = 2.406241294679505 (0.000914877% change) linmin: converged after 5 iterations. iteration 522: trace = 2.406199173016654 (0.00175053% change) linmin: converged after 3 iterations. iteration 523: trace = 2.406173876238488 (0.00105132% change) large trace change predicted (0.00280236%) linmin: converged after 7 iterations. iteration 524: trace = 2.406106489210063 (0.00280063% change) linmin: converged after 5 iterations. iteration 525: trace = 2.406080420577878 (0.00108344% change) large trace change predicted (0.00263422%) linmin: converged after 5 iterations. iteration 526: trace = 2.406017049372287 (0.00263383% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405967533638343 (0.00205802% change) linmin: converged after 5 iterations. iteration 528: trace = 2.405935172494428 (0.00134505% change) large trace change predicted (0.00404592%) linmin: converged after 4 iterations. iteration 529: trace = 2.405837809078261 (0.00404688% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405798814768455 (0.00162083% change) large trace change predicted (0.0037066%) linmin: converged after 4 iterations. iteration 531: trace = 2.405709593420989 (0.00370866% change) linmin: converged after 4 iterations. iteration 532: trace = 2.405637557767991 (0.00299441% change) linmin: converged after 4 iterations. iteration 533: trace = 2.405602244559844 (0.00146795% change) linmin: converged after 4 iterations. iteration 534: trace = 2.405562832784966 (0.00163835% change) linmin: converged after 5 iterations. iteration 535: trace = 2.405546493173059 (0.000679245% change) linmin: converged after 5 iterations. iteration 536: trace = 2.405520748706309 (0.00107022% change) linmin: converged after 5 iterations. iteration 537: trace = 2.405500717412782 (0.000832725% change) linmin: converged after 5 iterations. iteration 538: trace = 2.405482124851071 (0.000772922% change) large trace change predicted (0.00184766%) linmin: converged after 4 iterations. iteration 539: trace = 2.405437681000958 (0.00184762% change) linmin: converged after 3 iterations. iteration 540: trace = 2.405411721585987 (0.0010792% change) large trace change predicted (0.002842%) linmin: converged after 5 iterations. iteration 541: trace = 2.405343335641992 (0.00284304% change) linmin: converged after 4 iterations. iteration 542: trace = 2.405288066254962 (0.0022978% change) linmin: converged after 9 iterations. iteration 543: trace = 2.405179376241461 (0.0045189% change) linmin: converged after 5 iterations. iteration 544: trace = 2.40506840314169 (0.00461403% change) linmin: converged after 4 iterations. iteration 545: trace = 2.404994116800035 (0.00308879% change) large trace change predicted (0.0071561%) linmin: converged after 6 iterations. iteration 546: trace = 2.404822128907764 (0.00715154% change) linmin: converged after 5 iterations. iteration 547: trace = 2.404776201949189 (0.0019098% change) large trace change predicted (0.00526143%) linmin: converged after 6 iterations. iteration 548: trace = 2.404649739793424 (0.00525893% change) linmin: converged after 3 iterations. iteration 549: trace = 2.404583649844168 (0.00274846% change) linmin: converged after 4 iterations. iteration 550: trace = 2.404547957918711 (0.00148434% change) linmin: converged after 5 iterations. iteration 551: trace = 2.404484313629107 (0.00264686% change) linmin: converged after 5 iterations. iteration 552: trace = 2.404462353903598 (0.000913286% change) large trace change predicted (0.00413703%) linmin: converged after 3 iterations. iteration 553: trace = 2.40436296662452 (0.00413354% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404325909399927 (0.00154126% change) large trace change predicted (0.00388783%) linmin: converged after 8 iterations. iteration 555: trace = 2.40423249741102 (0.00388524% change) linmin: converged after 4 iterations. iteration 556: trace = 2.40417473359623 (0.00240262% change) linmin: converged after 3 iterations. iteration 557: trace = 2.404142752565208 (0.00133024% change) linmin: converged after 5 iterations. iteration 558: trace = 2.404110700821694 (0.0013332% change) linmin: converged after 5 iterations. iteration 559: trace = 2.404093065392066 (0.000733556% change) resetting CG direction... linmin: converged after 5 iterations. iteration 560: trace = 2.404078045332241 (0.000624772% change) linmin: converged after 6 iterations. iteration 561: trace = 2.404051180451748 (0.00111748% change) linmin: converged after 4 iterations. iteration 562: trace = 2.404018893615237 (0.00134303% change) linmin: converged after 6 iterations. iteration 563: trace = 2.403969653218171 (0.00204827% change) large trace change predicted (0.00438759%) linmin: converged after 6 iterations. iteration 564: trace = 2.403864121129502 (0.00439001% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403835397136465 (0.00119492% change) large trace change predicted (0.00422546%) linmin: converged after 5 iterations. iteration 566: trace = 2.403733753789727 (0.00422847% change) linmin: converged after 8 iterations. iteration 567: trace = 2.403698695864119 (0.00145849% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40364427619776 (0.00226402% change) linmin: converged after 5 iterations. iteration 569: trace = 2.403582611632665 (0.00256549% change) linmin: converged after 4 iterations. iteration 570: trace = 2.403546294920238 (0.00151095% change) large trace change predicted (0.00544673%) linmin: converged after 6 iterations. iteration 571: trace = 2.403415443813978 (0.00544423% change) linmin: converged after 4 iterations. iteration 572: trace = 2.403375584425909 (0.00165846% change) large trace change predicted (0.00659273%) linmin: converged after 6 iterations. iteration 573: trace = 2.403217254650844 (0.00658803% change) linmin: converged after 5 iterations. iteration 574: trace = 2.403135088102778 (0.00341908% change) linmin: converged after 5 iterations. iteration 575: trace = 2.403041163443373 (0.0039085% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402925943800047 (0.00479486% change) linmin: converged after 7 iterations. iteration 577: trace = 2.402870571242855 (0.00230441% change) linmin: converged after 5 iterations. iteration 578: trace = 2.402772579702877 (0.00407819% change) linmin: converged after 6 iterations. iteration 579: trace = 2.402745835509351 (0.00111306% change) large trace change predicted (0.00250649%) linmin: converged after 5 iterations. iteration 580: trace = 2.402685605406111 (0.00250675% change) linmin: converged after 5 iterations. iteration 581: trace = 2.402668034958073 (0.000731286% change) linmin: converged after 5 iterations. iteration 582: trace = 2.402643312077053 (0.00102898% change) linmin: converged after 7 iterations. iteration 583: trace = 2.402617495848525 (0.0010745% change) linmin: converged after 5 iterations. iteration 584: trace = 2.402604079464414 (0.000558409% change) large trace change predicted (0.00210272%) linmin: converged after 3 iterations. iteration 585: trace = 2.402553574806637 (0.0021021% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402508492774035 (0.00187644% change) linmin: converged after 5 iterations. iteration 587: trace = 2.402458890623528 (0.00206462% change) linmin: converged after 5 iterations. iteration 588: trace = 2.402380815566274 (0.00324985% change) linmin: converged after 4 iterations. iteration 589: trace = 2.402342424713478 (0.00159805% change) large trace change predicted (0.00329024%) linmin: converged after 7 iterations. iteration 590: trace = 2.402263409700965 (0.00328914% change) linmin: converged after 5 iterations. iteration 591: trace = 2.402181725210517 (0.00340037% change) linmin: converged after 4 iterations. iteration 592: trace = 2.402140386227026 (0.00172091% change) large trace change predicted (0.00421812%) linmin: converged after 3 iterations. iteration 593: trace = 2.402039121043811 (0.00421571% change) linmin: converged after 6 iterations. iteration 594: trace = 2.402007095969871 (0.00133325% change) large trace change predicted (0.00348507%) linmin: converged after 4 iterations. iteration 595: trace = 2.401923405033258 (0.00348427% change) linmin: converged after 5 iterations. iteration 596: trace = 2.401862916661954 (0.00251836% change) linmin: converged after 5 iterations. iteration 597: trace = 2.401839775280153 (0.000963481% change) linmin: converged after 4 iterations. iteration 598: trace = 2.401798732385787 (0.00170883% change) linmin: converged after 5 iterations. iteration 599: trace = 2.401782993163387 (0.000655312% change) linmin: converged after 5 iterations. iteration 600: trace = 2.40176789410113 (0.000628663% change) linmin: converged after 5 iterations. iteration 601: trace = 2.401753053913696 (0.000617888% change) linmin: converged after 5 iterations. iteration 602: trace = 2.40174815166572 (0.000204111% change) large trace change predicted (0.000544992%) linmin: converged after 6 iterations. iteration 603: trace = 2.401735065733056 (0.000544852% change) linmin: converged after 5 iterations. iteration 604: trace = 2.401720084361273 (0.000623775% change) linmin: converged after 5 iterations. iteration 605: trace = 2.401698362344814 (0.00090444% change) large trace change predicted (0.002325%) linmin: converged after 4 iterations. iteration 606: trace = 2.401642512560469 (0.00232546% change) linmin: converged after 9 iterations. iteration 607: trace = 2.401611933829751 (0.00127325% change) large trace change predicted (0.00330897%) linmin: converged after 3 iterations. iteration 608: trace = 2.401532463592184 (0.00330909% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401499119087424 (0.00138848% change) linmin: converged after 5 iterations. iteration 610: trace = 2.401447417894419 (0.00215289% change) linmin: converged after 3 iterations. iteration 611: trace = 2.401385084557824 (0.00259569% change) linmin: converged after 4 iterations. iteration 612: trace = 2.401351484970682 (0.00139919% change) linmin: converged after 3 iterations. iteration 613: trace = 2.401304668927772 (0.00194959% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401292927071097 (0.000488979% change) large trace change predicted (0.00117536%) linmin: converged after 8 iterations. iteration 615: trace = 2.401264719220454 (0.0011747% change) linmin: converged after 4 iterations. iteration 616: trace = 2.401248380437763 (0.000680426% change) linmin: converged after 3 iterations. iteration 617: trace = 2.401238787611322 (0.000399494% change) large trace change predicted (0.00124652%) linmin: converged after 4 iterations. iteration 618: trace = 2.401208858022974 (0.00124643% change) linmin: converged after 7 iterations. iteration 619: trace = 2.401201445936205 (0.000308682% change) large trace change predicted (0.000912018%) linmin: converged after 5 iterations. iteration 620: trace = 2.401179545657997 (0.000912059% change) linmin: converged after 4 iterations. iteration 621: trace = 2.401167782659738 (0.000489885% change) linmin: converged after 5 iterations. iteration 622: trace = 2.40115232401181 (0.000643799% change) linmin: converged after 7 iterations. iteration 623: trace = 2.401135431530021 (0.000703518% change) linmin: converged after 6 iterations. iteration 624: trace = 2.401127364772883 (0.000335957% change) large trace change predicted (0.00109744%) linmin: converged after 3 iterations. iteration 625: trace = 2.401101017621681 (0.00109729% change) linmin: converged after 4 iterations. iteration 626: trace = 2.40107893677681 (0.000919618% change) linmin: converged after 5 iterations. iteration 627: trace = 2.401046265969237 (0.00136068% change) large trace change predicted (0.00310902%) linmin: converged after 7 iterations. iteration 628: trace = 2.400971683592469 (0.00310629% change) linmin: converged after 6 iterations. iteration 629: trace = 2.400920445009996 (0.0021341% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.400881191161568 (0.00163496% change) linmin: converged after 4 iterations. iteration 631: trace = 2.40083258118282 (0.00202469% change) linmin: converged after 5 iterations. iteration 632: trace = 2.400775436330532 (0.00238024% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400758567069976 (0.000702661% change) linmin: converged after 7 iterations. iteration 634: trace = 2.400726208542434 (0.00134786% change) linmin: converged after 9 iterations. iteration 635: trace = 2.400719717401779 (0.000270383% change) large trace change predicted (0.000945239%) linmin: converged after 5 iterations. iteration 636: trace = 2.40069702601044 (0.000945196% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400686304381208 (0.000446606% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400675961603981 (0.000430827% change) linmin: converged after 5 iterations. iteration 639: trace = 2.40065557831117 (0.000849068% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40064577320946 (0.000408435% change) large trace change predicted (0.00098766%) linmin: converged after 5 iterations. iteration 641: trace = 2.400622068888652 (0.000987419% change) linmin: converged after 6 iterations. iteration 642: trace = 2.400614665424228 (0.000308398% change) large trace change predicted (0.00091859%) linmin: converged after 5 iterations. iteration 643: trace = 2.400592618195549 (0.000918404% change) linmin: converged after 5 iterations. iteration 644: trace = 2.40057956515277 (0.000543744% change) linmin: converged after 4 iterations. iteration 645: trace = 2.400562754288886 (0.000700286% change) linmin: converged after 6 iterations. iteration 646: trace = 2.400530250256735 (0.00135403% change) linmin: converged after 5 iterations. iteration 647: trace = 2.400513378227578 (0.000702848% change) large trace change predicted (0.00289488%) linmin: converged after 3 iterations. iteration 648: trace = 2.400443876446262 (0.00289533% change) linmin: converged after 8 iterations. iteration 649: trace = 2.400425572419785 (0.00076253% change) large trace change predicted (0.00303777%) linmin: converged after 4 iterations. iteration 650: trace = 2.400352645804773 (0.00303812% change) linmin: converged after 4 iterations. iteration 651: trace = 2.400311383372737 (0.00171903% change) linmin: converged after 5 iterations. iteration 652: trace = 2.400271726383075 (0.00165217% change) linmin: converged after 4 iterations. iteration 653: trace = 2.400209603283523 (0.0025882% change) linmin: converged after 6 iterations. iteration 654: trace = 2.400193321661681 (0.000678344% change) large trace change predicted (0.00156829%) linmin: converged after 6 iterations. iteration 655: trace = 2.400155677053053 (0.00156841% change) linmin: converged after 5 iterations. iteration 656: trace = 2.400149186573974 (0.000270419% change) large trace change predicted (0.000567482%) linmin: converged after 6 iterations. iteration 657: trace = 2.400135566977637 (0.00056745% change) linmin: converged after 5 iterations. iteration 658: trace = 2.400127821202504 (0.000322723% change) linmin: converged after 4 iterations. iteration 659: trace = 2.400122253741531 (0.000231965% change) large trace change predicted (0.000844315%) linmin: converged after 4 iterations. iteration 660: trace = 2.400101985735589 (0.000844461% change) linmin: converged after 7 iterations. iteration 661: trace = 2.400093730830167 (0.00034394% change) large trace change predicted (0.00189139%) linmin: converged after 5 iterations. iteration 662: trace = 2.4000483255984 (0.00189183% change) linmin: converged after 5 iterations. iteration 663: trace = 2.400021388409706 (0.00112237% change) large trace change predicted (0.00259541%) linmin: converged after 4 iterations. iteration 664: trace = 2.399959089208699 (0.00259581% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399890620760105 (0.00285294% change) linmin: converged after 6 iterations. iteration 666: trace = 2.399858608154246 (0.00133393% change) large trace change predicted (0.00375816%) linmin: converged after 3 iterations. iteration 667: trace = 2.399768444772164 (0.0037571% change) linmin: converged after 5 iterations. iteration 668: trace = 2.399730308979426 (0.00158916% change) linmin: converged after 5 iterations. iteration 669: trace = 2.399659767508675 (0.0029396% change) linmin: converged after 5 iterations. iteration 670: trace = 2.399569108335375 (0.00377807% change) linmin: converged after 5 iterations. iteration 671: trace = 2.399539148698802 (0.00124855% change) large trace change predicted (0.00353834%) linmin: converged after 7 iterations. iteration 672: trace = 2.399454245615263 (0.00353837% change) linmin: converged after 4 iterations. iteration 673: trace = 2.399413389867977 (0.00170272% change) linmin: converged after 5 iterations. iteration 674: trace = 2.399383992729808 (0.00122519% change) linmin: converged after 6 iterations. iteration 675: trace = 2.399327126021597 (0.00237008% change) linmin: converged after 4 iterations. iteration 676: trace = 2.39931669573767 (0.000434718% change) large trace change predicted (0.0014553%) linmin: converged after 4 iterations. iteration 677: trace = 2.399281780488946 (0.00145523% change) linmin: converged after 6 iterations. iteration 678: trace = 2.399269557289851 (0.000509454% change) large trace change predicted (0.00104003%) linmin: converged after 7 iterations. iteration 679: trace = 2.399244605134143 (0.00104% change) linmin: converged after 5 iterations. iteration 680: trace = 2.399209778341632 (0.00145158% change) linmin: converged after 6 iterations. iteration 681: trace = 2.399187993198304 (0.000908017% change) large trace change predicted (0.00415945%) linmin: converged after 5 iterations. iteration 682: trace = 2.399088210314647 (0.00415911% change) linmin: converged after 5 iterations. iteration 683: trace = 2.399056221718275 (0.00133337% change) large trace change predicted (0.00596721%) linmin: converged after 3 iterations. iteration 684: trace = 2.398913104911782 (0.00596572% change) linmin: converged after 3 iterations. iteration 685: trace = 2.398850811939598 (0.00259675% change) linmin: converged after 6 iterations. iteration 686: trace = 2.39875700122225 (0.00391073% change) linmin: converged after 5 iterations. iteration 687: trace = 2.398633677363022 (0.00514129% change) linmin: converged after 11 iterations. iteration 688: trace = 2.398597001553794 (0.00152904% change) large trace change predicted (0.00529396%) linmin: converged after 7 iterations. iteration 689: trace = 2.398470057235489 (0.00529258% change) linmin: converged after 4 iterations. iteration 690: trace = 2.398437960445294 (0.00133823% change) linmin: converged after 3 iterations. iteration 691: trace = 2.398391230601388 (0.00194836% change) linmin: converged after 4 iterations. iteration 692: trace = 2.39833206436131 (0.00246694% change) linmin: converged after 5 iterations. iteration 693: trace = 2.398305795553497 (0.0010953% change) large trace change predicted (0.00229367%) linmin: converged after 5 iterations. iteration 694: trace = 2.398250809738408 (0.00229272% change) linmin: converged after 3 iterations. iteration 695: trace = 2.398206801623472 (0.00183503% change) linmin: converged after 5 iterations. iteration 696: trace = 2.398147832334272 (0.00245892% change) linmin: converged after 7 iterations. iteration 697: trace = 2.398099658302062 (0.00200882% change) linmin: converged after 6 iterations. iteration 698: trace = 2.398077434923507 (0.000926712% change) linmin: converged after 5 iterations. iteration 699: trace = 2.398055295282286 (0.000923229% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.398045005095203 (0.000429106% change) linmin: converged after 3 iterations. iteration 701: trace = 2.398031251454867 (0.000573537% change) large trace change predicted (0.00235806%) linmin: converged after 4 iterations. iteration 702: trace = 2.397974705301421 (0.00235805% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397952140548108 (0.000940997% change) large trace change predicted (0.00347249%) linmin: converged after 4 iterations. iteration 704: trace = 2.397868868267941 (0.0034727% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397836629143445 (0.0013445% change) linmin: converged after 6 iterations. iteration 706: trace = 2.397785394565341 (0.00213672% change) linmin: converged after 4 iterations. iteration 707: trace = 2.397725891231192 (0.00248163% change) linmin: converged after 8 iterations. iteration 708: trace = 2.397705434124033 (0.000853192% change) large trace change predicted (0.00267083%) linmin: converged after 5 iterations. iteration 709: trace = 2.397641391226871 (0.00267104% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397547201218146 (0.00392852% change) linmin: converged after 5 iterations. iteration 711: trace = 2.397513953342903 (0.00138676% change) large trace change predicted (0.00618255%) linmin: converged after 3 iterations. iteration 712: trace = 2.397365753453123 (0.00618159% change) linmin: converged after 5 iterations. iteration 713: trace = 2.397327041730609 (0.00161477% change) large trace change predicted (0.00361742%) linmin: converged after 4 iterations. iteration 714: trace = 2.397240334136916 (0.00361691% change) linmin: converged after 3 iterations. iteration 715: trace = 2.397143726677977 (0.00403003% change) linmin: converged after 4 iterations. iteration 716: trace = 2.39711205118414 (0.00132139% change) large trace change predicted (0.00333039%) linmin: converged after 3 iterations. iteration 717: trace = 2.39703224056156 (0.0033295% change) linmin: converged after 6 iterations. iteration 718: trace = 2.397006072532194 (0.00109169% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396973952962859 (0.00134% change) linmin: converged after 6 iterations. iteration 720: trace = 2.396952050002569 (0.00091378% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396941430042514 (0.000443062% change) large trace change predicted (0.00089795%) linmin: converged after 5 iterations. iteration 722: trace = 2.396919914532225 (0.000897628% change) linmin: converged after 5 iterations. iteration 723: trace = 2.396897661914431 (0.000928388% change) linmin: converged after 6 iterations. iteration 724: trace = 2.39686994051504 (0.00115656% change) linmin: converged after 4 iterations. iteration 725: trace = 2.396817530998328 (0.00218661% change) linmin: converged after 5 iterations. iteration 726: trace = 2.396794726927751 (0.000951436% change) large trace change predicted (0.00229541%) linmin: converged after 5 iterations. iteration 727: trace = 2.396739731301993 (0.00229458% change) linmin: converged after 12 iterations. iteration 728: trace = 2.396699912372668 (0.00166139% change) linmin: converged after 5 iterations. iteration 729: trace = 2.39665887172729 (0.0017124% change) linmin: converged after 5 iterations. iteration 730: trace = 2.396597099071831 (0.00257748% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396577201214417 (0.000830258% change) large trace change predicted (0.00294524%) linmin: converged after 6 iterations. iteration 732: trace = 2.396506669043147 (0.00294308% change) linmin: converged after 4 iterations. iteration 733: trace = 2.39645286587445 (0.00224509% change) linmin: converged after 5 iterations. iteration 734: trace = 2.396417089640879 (0.00149289% change) linmin: converged after 4 iterations. iteration 735: trace = 2.396375339372929 (0.00174221% change) linmin: converged after 4 iterations. iteration 736: trace = 2.396353827080573 (0.000897705% change) linmin: converged after 5 iterations. iteration 737: trace = 2.396332295684323 (0.000898511% change) linmin: converged after 4 iterations. iteration 738: trace = 2.396315736672283 (0.000691017% change) linmin: converged after 6 iterations. iteration 739: trace = 2.396312630559705 (0.00012962% change) large trace change predicted (0.000333809%) linmin: converged after 4 iterations. iteration 740: trace = 2.396304633084968 (0.000333741% change) linmin: converged after 11 iterations. iteration 741: trace = 2.396297636871418 (0.000291959% change) linmin: converged after 5 iterations. iteration 742: trace = 2.396293503591808 (0.000172486% change) large trace change predicted (0.000966486%) linmin: converged after 5 iterations. iteration 743: trace = 2.396270350438698 (0.000966212% change) linmin: converged after 4 iterations. iteration 744: trace = 2.39625559887979 (0.000615607% change) large trace change predicted (0.00156451%) linmin: converged after 5 iterations. iteration 745: trace = 2.396218132081826 (0.00156357% change) linmin: converged after 7 iterations. iteration 746: trace = 2.396169474875157 (0.0020306% change) linmin: converged after 5 iterations. iteration 747: trace = 2.396147015181723 (0.000937321% change) linmin: converged after 3 iterations. iteration 748: trace = 2.396112948043588 (0.00142176% change) linmin: converged after 3 iterations. iteration 749: trace = 2.396072068815776 (0.00170608% change) linmin: converged after 5 iterations. iteration 750: trace = 2.396054100642392 (0.000749904% change) linmin: converged after 7 iterations. iteration 751: trace = 2.396027193967936 (0.00112296% change) linmin: converged after 5 iterations. iteration 752: trace = 2.396019695526097 (0.000312954% change) linmin: converged after 4 iterations. iteration 753: trace = 2.396005374020965 (0.000597722% change) linmin: converged after 3 iterations. iteration 754: trace = 2.395994483785818 (0.000454517% change) linmin: converged after 4 iterations. iteration 755: trace = 2.395989219877737 (0.000219696% change) large trace change predicted (0.000528901%) linmin: converged after 7 iterations. iteration 756: trace = 2.395976548034334 (0.000528879% change) linmin: converged after 4 iterations. iteration 757: trace = 2.395965620400097 (0.000456084% change) linmin: converged after 4 iterations. iteration 758: trace = 2.395957841866318 (0.000324652% change) linmin: converged after 17 iterations. iteration 759: trace = 2.395945239267996 (0.000525996% change) linmin: converged after 7 iterations. iteration 760: trace = 2.395939241072151 (0.000250348% change) linmin: converged after 4 iterations. iteration 761: trace = 2.395929689734224 (0.000398648% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395923084939838 (0.000275668% change) linmin: converged after 3 iterations. iteration 763: trace = 2.395910336231919 (0.000532101% change) linmin: converged after 6 iterations. iteration 764: trace = 2.395893421942324 (0.000705968% change) linmin: converged after 5 iterations. iteration 765: trace = 2.395869296266789 (0.00100696% change) linmin: converged after 5 iterations. iteration 766: trace = 2.39584030701188 (0.00120998% change) linmin: converged after 5 iterations. iteration 767: trace = 2.395803582852315 (0.00153284% change) large trace change predicted (0.00586152%) linmin: converged after 7 iterations. iteration 768: trace = 2.395663429710101 (0.00585011% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395561522454289 (0.00425391% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.395446000829811 (0.00482244% change) linmin: converged after 3 iterations. iteration 771: trace = 2.395361967144426 (0.00350812% change) linmin: converged after 4 iterations. iteration 772: trace = 2.39531206531116 (0.00208329% change) linmin: converged after 6 iterations. iteration 773: trace = 2.395303117794417 (0.000373544% change) large trace change predicted (0.00108904%) linmin: converged after 5 iterations. iteration 774: trace = 2.39527703439986 (0.00108895% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395267669889619 (0.000390958% change) linmin: converged after 7 iterations. iteration 776: trace = 2.395260993343948 (0.000278739% change) linmin: converged after 18 iterations. iteration 777: trace = 2.395252458157278 (0.000356337% change) linmin: converged after 5 iterations. iteration 778: trace = 2.395248379129995 (0.000170296% change) linmin: converged after 4 iterations. iteration 779: trace = 2.395241166995908 (0.000301102% change) linmin: converged after 4 iterations. iteration 780: trace = 2.395229930896045 (0.000469102% change) linmin: converged after 6 iterations. iteration 781: trace = 2.395226872926693 (0.000127669% change) large trace change predicted (0.000483009%) linmin: converged after 5 iterations. iteration 782: trace = 2.39521530600261 (0.000482917% change) linmin: converged after 4 iterations. iteration 783: trace = 2.395209276857976 (0.000251717% change) linmin: converged after 4 iterations. iteration 784: trace = 2.395202014511145 (0.000303203% change) linmin: converged after 3 iterations. iteration 785: trace = 2.39519001973183 (0.000500785% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395183202267537 (0.000284632% change) large trace change predicted (0.000592757%) linmin: converged after 4 iterations. iteration 787: trace = 2.39516900163785 (0.000592885% change) large trace change predicted (0.00130179%) linmin: converged after 4 iterations. iteration 788: trace = 2.395137816835079 (0.001302% change) linmin: converged after 5 iterations. iteration 789: trace = 2.395126514085332 (0.000471905% change) large trace change predicted (0.00159137%) linmin: converged after 6 iterations. iteration 790: trace = 2.395088394572273 (0.00159156% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395072452947586 (0.000665599% change) linmin: converged after 5 iterations. iteration 792: trace = 2.395050389543344 (0.000921204% change) linmin: converged after 5 iterations. iteration 793: trace = 2.39502083065363 (0.00123417% change) linmin: converged after 5 iterations. iteration 794: trace = 2.395015504693964 (0.000222377% change) large trace change predicted (0.000737543%) linmin: converged after 5 iterations. iteration 795: trace = 2.394997837856636 (0.000737653% change) linmin: converged after 5 iterations. iteration 796: trace = 2.394991097299907 (0.000281444% change) linmin: converged after 7 iterations. iteration 797: trace = 2.394987425337961 (0.000153319% change) linmin: converged after 5 iterations. iteration 798: trace = 2.394981614329743 (0.000242632% change) linmin: converged after 9 iterations. iteration 799: trace = 2.394978482568882 (0.000130764% change) large trace change predicted (0.00027808%) linmin: converged after 5 iterations. iteration 800: trace = 2.394971822877183 (0.000278069% change) linmin: converged after 5 iterations. iteration 801: trace = 2.394960933439378 (0.00045468% change) linmin: converged after 5 iterations. iteration 802: trace = 2.39495345903919 (0.000312089% change) large trace change predicted (0.00109941%) linmin: converged after 9 iterations. iteration 803: trace = 2.394927131361643 (0.0010993% change) linmin: converged after 3 iterations. iteration 804: trace = 2.394916959856176 (0.000424711% change) large trace change predicted (0.000963014%) linmin: converged after 4 iterations. iteration 805: trace = 2.394893897628245 (0.00096297% change) linmin: converged after 3 iterations. iteration 806: trace = 2.394868149668156 (0.00107512% change) linmin: converged after 5 iterations. iteration 807: trace = 2.394857819206549 (0.000431359% change) large trace change predicted (0.00144494%) linmin: converged after 5 iterations. iteration 808: trace = 2.394823208703843 (0.00144521% change) linmin: converged after 5 iterations. iteration 809: trace = 2.394803583396851 (0.000819492% change) large trace change predicted (0.0022392%) linmin: converged after 3 iterations. iteration 810: trace = 2.394749946297767 (0.00223975% change) linmin: converged after 3 iterations. iteration 811: trace = 2.394727258261355 (0.000947412% change) linmin: converged after 5 iterations. iteration 812: trace = 2.39469443776746 (0.00137054% change) linmin: converged after 4 iterations. iteration 813: trace = 2.394668229468161 (0.00109444% change) linmin: converged after 8 iterations. iteration 814: trace = 2.394658589003982 (0.000402581% change) large trace change predicted (0.000913792%) linmin: converged after 4 iterations. iteration 815: trace = 2.394636705905853 (0.000913834% change) linmin: converged after 5 iterations. iteration 816: trace = 2.394632307094083 (0.000183694% change) large trace change predicted (0.000516255%) linmin: converged after 4 iterations. iteration 817: trace = 2.394619943895298 (0.000516289% change) linmin: converged after 4 iterations. iteration 818: trace = 2.39461671943049 (0.000134655% change) large trace change predicted (0.000326782%) linmin: converged after 4 iterations. iteration 819: trace = 2.394608892271069 (0.000326865% change) linmin: converged after 4 iterations. iteration 820: trace = 2.39460260303577 (0.000262642% change) large trace change predicted (0.000660226%) linmin: converged after 4 iterations. iteration 821: trace = 2.394586792377225 (0.000660264% change) linmin: converged after 5 iterations. iteration 822: trace = 2.394576647914976 (0.000423642% change) large trace change predicted (0.0013203%) linmin: converged after 4 iterations. iteration 823: trace = 2.394545024131449 (0.00132065% change) linmin: converged after 5 iterations. iteration 824: trace = 2.394529067311698 (0.000666384% change) large trace change predicted (0.0014456%) linmin: converged after 6 iterations. iteration 825: trace = 2.394494452940763 (0.00144557% change) linmin: converged after 5 iterations. iteration 826: trace = 2.394471338000631 (0.000965342% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394442762291112 (0.00119341% change) linmin: converged after 4 iterations. iteration 828: trace = 2.3944131619857 (0.00123622% change) linmin: converged after 6 iterations. iteration 829: trace = 2.394388774008185 (0.00101854% change) linmin: converged after 4 iterations. iteration 830: trace = 2.394357474389021 (0.00130722% change) linmin: converged after 9 iterations. iteration 831: trace = 2.394348803618946 (0.000362134% change) large trace change predicted (0.000955955%) linmin: converged after 6 iterations. iteration 832: trace = 2.39432591439819 (0.000955973% change) linmin: converged after 5 iterations. iteration 833: trace = 2.39432053798157 (0.000224548% change) large trace change predicted (0.00053403%) linmin: converged after 4 iterations. iteration 834: trace = 2.394307751493337 (0.000534036% change) linmin: converged after 5 iterations. iteration 835: trace = 2.394297874893897 (0.000412504% change) linmin: converged after 6 iterations. iteration 836: trace = 2.39428188357044 (0.000667894% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394272584284218 (0.000388396% change) linmin: converged after 6 iterations. iteration 838: trace = 2.39425758168261 (0.000626606% change) linmin: converged after 6 iterations. iteration 839: trace = 2.394251619057628 (0.000249039% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394247018378142 (0.000192155% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394240730996433 (0.000262604% change) linmin: converged after 5 iterations. iteration 842: trace = 2.39423740212113 (0.000139037% change) linmin: converged after 5 iterations. iteration 843: trace = 2.394233315222262 (0.000170697% change) large trace change predicted (0.000392461%) linmin: converged after 4 iterations. iteration 844: trace = 2.394223918867664 (0.000392459% change) linmin: converged after 6 iterations. iteration 845: trace = 2.394217129012838 (0.000283594% change) large trace change predicted (0.000995882%) linmin: converged after 9 iterations. iteration 846: trace = 2.394193287726607 (0.000995791% change) linmin: converged after 5 iterations. iteration 847: trace = 2.394164659397895 (0.00119575% change) linmin: converged after 5 iterations. iteration 848: trace = 2.394146477985685 (0.000759408% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394118677440451 (0.00116119% change) linmin: converged after 8 iterations. iteration 850: trace = 2.394100569723913 (0.000756345% change) linmin: converged after 7 iterations. iteration 851: trace = 2.394085040503797 (0.000648647% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394058508701435 (0.00110823% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394050704300158 (0.000325991% change) large trace change predicted (0.000906446%) linmin: converged after 4 iterations. iteration 854: trace = 2.394029009269474 (0.00090621% change) linmin: converged after 6 iterations. iteration 855: trace = 2.394010463856044 (0.000774656% change) linmin: converged after 5 iterations. iteration 856: trace = 2.393999549743469 (0.000455893% change) linmin: converged after 5 iterations. iteration 857: trace = 2.393987397629052 (0.000507609% change) linmin: converged after 5 iterations. iteration 858: trace = 2.393979059743142 (0.000348285% change) linmin: converged after 5 iterations. iteration 859: trace = 2.393969684977145 (0.000391598% change) linmin: converged after 5 iterations. iteration 860: trace = 2.393956602342794 (0.000546484% change) linmin: converged after 6 iterations. iteration 861: trace = 2.393953517956382 (0.000128841% change) large trace change predicted (0.000386561%) linmin: converged after 3 iterations. iteration 862: trace = 2.393944264918082 (0.000386518% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393939947243642 (0.000180358% change) linmin: converged after 6 iterations. iteration 864: trace = 2.393935382371547 (0.000190685% change) large trace change predicted (0.000410599%) linmin: converged after 4 iterations. iteration 865: trace = 2.393925554810664 (0.00041052% change) linmin: converged after 3 iterations. iteration 866: trace = 2.393921401819164 (0.000173481% change) large trace change predicted (0.000897989%) linmin: converged after 5 iterations. iteration 867: trace = 2.393899912625584 (0.000897661% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393883807713726 (0.00067275% change) linmin: converged after 6 iterations. iteration 869: trace = 2.393857993439342 (0.00107835% change) linmin: converged after 3 iterations. iteration 870: trace = 2.393835476789239 (0.000940605% change) linmin: converged after 5 iterations. iteration 871: trace = 2.393823449454628 (0.000502431% change) linmin: converged after 5 iterations. iteration 872: trace = 2.393808661256593 (0.000617767% change) linmin: converged after 7 iterations. iteration 873: trace = 2.39379907792828 (0.000400339% change) linmin: converged after 7 iterations. iteration 874: trace = 2.393796378856954 (0.000112753% change) large trace change predicted (0.000250074%) linmin: converged after 6 iterations. iteration 875: trace = 2.393790392806315 (0.000250065% change) linmin: converged after 5 iterations. iteration 876: trace = 2.393788677586883 (7.16529e-05% change) large trace change predicted (0.000176967%) linmin: converged after 4 iterations. iteration 877: trace = 2.393784441338881 (0.000176968% change) linmin: converged after 4 iterations. iteration 878: trace = 2.393781925185881 (0.000105112% change) linmin: converged after 3 iterations. iteration 879: trace = 2.393779396618886 (0.000105631% change) linmin: converged after 9 iterations. iteration 880: trace = 2.393775749376786 (0.000152363% change) linmin: converged after 4 iterations. iteration 881: trace = 2.393773369391051 (9.9424e-05% change) linmin: converged after 8 iterations. iteration 882: trace = 2.393771473512882 (7.92004e-05% change) linmin: converged after 5 iterations. iteration 883: trace = 2.393768005206534 (0.000144889% change) linmin: converged after 5 iterations. iteration 884: trace = 2.393766805203668 (5.01303e-05% change) large trace change predicted (0.000131512%) linmin: converged after 7 iterations. iteration 885: trace = 2.393763657446417 (0.000131498% change) linmin: converged after 4 iterations. iteration 886: trace = 2.393762139110225 (6.34288e-05% change) large trace change predicted (0.000188711%) linmin: converged after 6 iterations. iteration 887: trace = 2.393757622585064 (0.000188679% change) linmin: converged after 5 iterations. iteration 888: trace = 2.393755058787127 (0.000107104% change) large trace change predicted (0.000235285%) linmin: converged after 5 iterations. iteration 889: trace = 2.393749428029932 (0.000235227% change) large trace change predicted (0.000489323%) linmin: converged after 5 iterations. iteration 890: trace = 2.393737717294975 (0.000489223% change) linmin: converged after 10 iterations. iteration 891: trace = 2.393733905186699 (0.000159254% change) large trace change predicted (0.000441211%) linmin: converged after 5 iterations. iteration 892: trace = 2.393723346536241 (0.000441096% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393714695224546 (0.000361417% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393709086918766 (0.000234293% change) linmin: converged after 4 iterations. iteration 895: trace = 2.393700296752916 (0.00036722% change) linmin: converged after 5 iterations. iteration 896: trace = 2.393697932823406 (9.87563e-05% change) linmin: converged after 6 iterations. iteration 897: trace = 2.39369457942503 (0.000140093% change) linmin: converged after 5 iterations. iteration 898: trace = 2.393691330580075 (0.000135725% change) linmin: converged after 9 iterations. iteration 899: trace = 2.393690362010347 (4.04634e-05% change) large trace change predicted (9.00742e-05%) linmin: converged after 5 iterations. iteration 900: trace = 2.393688205903 (9.00747e-05% change) linmin: converged after 4 iterations. iteration 901: trace = 2.393687125237036 (4.51465e-05% change) linmin: converged after 6 iterations. iteration 902: trace = 2.393686390307186 (3.07028e-05% change) large trace change predicted (7.37474e-05%) linmin: converged after 5 iterations. iteration 903: trace = 2.393684624996794 (7.37486e-05% change) linmin: converged after 8 iterations. iteration 904: trace = 2.39368388729822 (3.08185e-05% change) large trace change predicted (6.48271e-05%) linmin: converged after 5 iterations. iteration 905: trace = 2.393682335492059 (6.48292e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393681053304419 (5.35655e-05% change) linmin: converged after 6 iterations. iteration 907: trace = 2.393680125376674 (3.87657e-05% change) large trace change predicted (0.000105541%) linmin: converged after 7 iterations. iteration 908: trace = 2.393677599055989 (0.000105541% change) linmin: converged after 6 iterations. iteration 909: trace = 2.393676660422464 (3.9213e-05% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.393675256822327 (5.86379e-05% change) linmin: converged after 8 iterations. iteration 911: trace = 2.39367401860537 (5.17287e-05% change) linmin: converged after 5 iterations. iteration 912: trace = 2.393672036272664 (8.28155e-05% change) linmin: converged after 4 iterations. iteration 913: trace = 2.3936712218868 (3.40225e-05% change) large trace change predicted (7.80272e-05%) linmin: converged after 13 iterations. iteration 914: trace = 2.393669354254907 (7.80238e-05% change) linmin: converged after 7 iterations. iteration 915: trace = 2.393667347968376 (8.38164e-05% change) linmin: converged after 4 iterations. iteration 916: trace = 2.393666027571924 (5.51621e-05% change) large trace change predicted (0.000176944%) linmin: converged after 3 iterations. iteration 917: trace = 2.393661792224028 (0.00017694% change) linmin: converged after 8 iterations. iteration 918: trace = 2.393659977869249 (7.57983e-05% change) large trace change predicted (0.000261705%) linmin: converged after 4 iterations. iteration 919: trace = 2.393653713153222 (0.000261722% change) large trace change predicted (0.000525329%) linmin: converged after 4 iterations. iteration 920: trace = 2.393641139173828 (0.000525306% change) linmin: converged after 5 iterations. iteration 921: trace = 2.393637173281394 (0.000165685% change) large trace change predicted (0.000587883%) linmin: converged after 2 iterations. iteration 922: trace = 2.393623101441448 (0.000587887% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393617378110959 (0.000239108% change) linmin: converged after 5 iterations. iteration 924: trace = 2.393610570184294 (0.00028442% change) linmin: converged after 2 iterations. iteration 925: trace = 2.393606976367428 (0.000150142% change) linmin: converged after 5 iterations. iteration 926: trace = 2.393604915507091 (8.60986e-05% change) linmin: converged after 5 iterations. iteration 927: trace = 2.393602662574684 (9.4123e-05% change) linmin: converged after 6 iterations. iteration 928: trace = 2.393599526707307 (0.00013101% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393598544621478 (4.10297e-05% change) large trace change predicted (0.000228181%) linmin: converged after 6 iterations. iteration 930: trace = 2.393593082408059 (0.000228201% change) linmin: converged after 4 iterations. iteration 931: trace = 2.393590793397207 (9.56308e-05% change) linmin: converged after 6 iterations. iteration 932: trace = 2.39358866122074 (8.90786e-05% change) linmin: converged after 6 iterations. iteration 933: trace = 2.393585957391196 (0.000112961% change) linmin: converged after 11 iterations. iteration 934: trace = 2.393584751895689 (5.03636e-05% change) large trace change predicted (0.000126726%) linmin: converged after 4 iterations. iteration 935: trace = 2.393581718485331 (0.000126731% change) linmin: converged after 4 iterations. iteration 936: trace = 2.393577778260109 (0.000164616% change) linmin: converged after 4 iterations. iteration 937: trace = 2.393575002518244 (0.000115966% change) large trace change predicted (0.000383097%) linmin: converged after 4 iterations. iteration 938: trace = 2.393565832420546 (0.000383114% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393561807898419 (0.000168139% change) large trace change predicted (0.000462652%) linmin: converged after 6 iterations. iteration 940: trace = 2.393550733222387 (0.000462687% change) linmin: converged after 3 iterations. iteration 941: trace = 2.393535304928824 (0.00064458% change) linmin: converged after 5 iterations. iteration 942: trace = 2.393531059929306 (0.000177353% change) large trace change predicted (0.000688658%) linmin: converged after 4 iterations. iteration 943: trace = 2.393514572929078 (0.000688817% change) linmin: converged after 7 iterations. iteration 944: trace = 2.393511712295858 (0.000119516% change) large trace change predicted (0.000310619%) linmin: converged after 7 iterations. iteration 945: trace = 2.393504277209264 (0.000310636% change) linmin: converged after 3 iterations. iteration 946: trace = 2.393499975791604 (0.000179712% change) linmin: converged after 8 iterations. iteration 947: trace = 2.393497853822178 (8.86555e-05% change) linmin: converged after 9 iterations. iteration 948: trace = 2.393493693150467 (0.000173832% change) linmin: converged after 5 iterations. iteration 949: trace = 2.393492334561417 (5.67618e-05% change) large trace change predicted (0.000187199%) linmin: converged after 5 iterations. iteration 950: trace = 2.39348785414673 (0.000187192% change) linmin: converged after 4 iterations. iteration 951: trace = 2.39348587582906 (8.26542e-05% change) large trace change predicted (0.000178629%) linmin: converged after 7 iterations. iteration 952: trace = 2.393481600247808 (0.000178634% change) linmin: converged after 5 iterations. iteration 953: trace = 2.39347692247818 (0.000195438% change) linmin: converged after 11 iterations. iteration 954: trace = 2.393473655133765 (0.00013651% change) large trace change predicted (0.000313851%) linmin: converged after 4 iterations. iteration 955: trace = 2.393466142652732 (0.000313874% change) linmin: converged after 4 iterations. iteration 956: trace = 2.393463868046369 (9.5034e-05% change) large trace change predicted (0.000418813%) linmin: converged after 8 iterations. iteration 957: trace = 2.393453843375263 (0.000418836% change) linmin: converged after 5 iterations. iteration 958: trace = 2.39344901599197 (0.000201691% change) linmin: converged after 11 iterations. iteration 959: trace = 2.393440729339197 (0.000346223% change) linmin: converged after 2 iterations. iteration 960: trace = 2.393428348372357 (0.000517289% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393422316209366 (0.000252031% change) large trace change predicted (0.000541434%) linmin: converged after 5 iterations. iteration 962: trace = 2.393409356283079 (0.000541482% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393401263835993 (0.000338114% change) linmin: converged after 5 iterations. iteration 964: trace = 2.393394561352574 (0.00028004% change) linmin: converged after 4 iterations. iteration 965: trace = 2.393386505970443 (0.000336568% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393385190822643 (5.49493e-05% change) large trace change predicted (0.000118563%) linmin: converged after 16 iterations. iteration 967: trace = 2.393382353086626 (0.000118566% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393381181893887 (4.89346e-05% change) linmin: converged after 7 iterations. iteration 969: trace = 2.3933805328801 (2.7117e-05% change) large trace change predicted (0.000181798%) linmin: converged after 8 iterations. iteration 970: trace = 2.393376181817789 (0.000181796% change) linmin: converged after 9 iterations. iteration 971: trace = 2.393373223172943 (0.000123618% change) large trace change predicted (0.000492744%) linmin: converged after 2 iterations. iteration 972: trace = 2.393361429904624 (0.000492748% change) linmin: converged after 6 iterations. iteration 973: trace = 2.393353646190783 (0.000325222% change) linmin: converged after 2 iterations. iteration 974: trace = 2.393347058955424 (0.000275231% change) large trace change predicted (0.000950491%) linmin: converged after 5 iterations. iteration 975: trace = 2.393324316201265 (0.000950253% change) linmin: converged after 5 iterations. iteration 976: trace = 2.393304861281281 (0.000812886% change) linmin: converged after 6 iterations. iteration 977: trace = 2.393285512887282 (0.000808442% change) linmin: converged after 7 iterations. iteration 978: trace = 2.393257231805932 (0.00118169% change) linmin: converged after 8 iterations. iteration 979: trace = 2.393240470480591 (0.000700359% change) resetting CG direction... linmin: converged after 6 iterations. iteration 980: trace = 2.393229675769142 (0.000451051% change) linmin: converged after 2 iterations. iteration 981: trace = 2.393213328298975 (0.000683074% change) linmin: converged after 6 iterations. iteration 982: trace = 2.393206244075379 (0.000296013% change) linmin: converged after 12 iterations. iteration 983: trace = 2.393195714076674 (0.000439996% change) linmin: converged after 4 iterations. iteration 984: trace = 2.393181283727592 (0.000602976% change) linmin: converged after 5 iterations. iteration 985: trace = 2.393178078158251 (0.000133946% change) linmin: converged after 6 iterations. iteration 986: trace = 2.393172412926989 (0.000236724% change) linmin: converged after 9 iterations. iteration 987: trace = 2.393168218120694 (0.000175282% change) linmin: converged after 5 iterations. iteration 988: trace = 2.393165802343699 (0.000100945% change) linmin: converged after 5 iterations. iteration 989: trace = 2.393163810951547 (8.32117e-05% change) linmin: converged after 8 iterations. iteration 990: trace = 2.393163372187489 (1.83341e-05% change) linmin: converged after 4 iterations. iteration 991: trace = 2.393162746304638 (2.6153e-05% change) linmin: converged after 9 iterations. iteration 992: trace = 2.393162189396757 (2.32708e-05% change) linmin: converged after 8 iterations. iteration 993: trace = 2.393161592991656 (2.49212e-05% change) large trace change predicted (7.46428e-05%) linmin: converged after 5 iterations. iteration 994: trace = 2.393159806696539 (7.46417e-05% change) linmin: converged after 6 iterations. iteration 995: trace = 2.3931591415583 (2.77933e-05% change) large trace change predicted (0.000156041%) linmin: converged after 12 iterations. iteration 996: trace = 2.393155407416231 (0.000156034% change) linmin: converged after 5 iterations. iteration 997: trace = 2.393152484432109 (0.000122139% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393150548174597 (8.09083e-05% change) large trace change predicted (0.00018734%) linmin: converged after 6 iterations. iteration 999: trace = 2.393146065288985 (0.000187322% change) linmin: converged after 12 iterations. iteration 1000: trace = 2.393144529208922 (6.41867e-05% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.393141662350265 (0.000119795% change) linmin: converged after 8 iterations. iteration 1002: trace = 2.393138838538488 (0.000117996% change) linmin: converged after 11 iterations. iteration 1003: trace = 2.393137228755537 (6.72666e-05% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.39313520329853 (8.46361e-05% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.393133207704009 (8.33883e-05% change) linmin: converged after 9 iterations. iteration 1006: trace = 2.393132610543489 (2.49531e-05% change) large trace change predicted (5.47737e-05%) linmin: converged after 3 iterations. iteration 1007: trace = 2.393131299809351 (5.47707e-05% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.393130886426975 (1.72737e-05% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.393130103895016 (3.26991e-05% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393129478933514 (2.61148e-05% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.393129195091729 (1.18607e-05% change) large trace change predicted (2.697e-05%) linmin: converged after 4 iterations. iteration 1012: trace = 2.393128549667149 (2.69699e-05% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.393127567135252 (4.10564e-05% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.393126731813706 (3.4905e-05% change) large trace change predicted (0.000102834%) linmin: converged after 4 iterations. iteration 1015: trace = 2.39312427099151 (0.000102829% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.393123346184447 (3.86443e-05% change) large trace change predicted (9.30866e-05%) linmin: converged after 4 iterations. iteration 1017: trace = 2.393121118598962 (9.30828e-05% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.39311856829342 (0.000106568% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.393117514873111 (4.40187e-05% change) large trace change predicted (0.000109838%) linmin: converged after 10 iterations. iteration 1020: trace = 2.393114886671852 (0.000109823% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.393114448232042 (1.83209e-05% change) large trace change predicted (5.39211e-05%) linmin: converged after 6 iterations. iteration 1022: trace = 2.393113157892465 (5.39189e-05% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.393112739277629 (1.74925e-05% change) linmin: converged after 10 iterations. iteration 1024: trace = 2.393112439682988 (1.2519e-05% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.393111959127437 (2.00808e-05% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.393111692572611 (1.11384e-05% change) linmin: converged after 6 iterations. iteration 1027: trace = 2.39311118731892 (2.11128e-05% change) linmin: converged after 12 iterations. iteration 1028: trace = 2.393110553335849 (2.6492e-05% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.393110302941346 (1.04631e-05% change) large trace change predicted (2.87393e-05%) linmin: converged after 4 iterations. iteration 1030: trace = 2.39310961519759 (2.87385e-05% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.393109367328365 (1.03576e-05% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.393109101909643 (1.1091e-05% change) large trace change predicted (2.41367e-05%) linmin: converged after 4 iterations. iteration 1033: trace = 2.393108524310404 (2.41359e-05% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.393108349375666 (7.30994e-06% change) large trace change predicted (4.05937e-05%) linmin: converged after 12 iterations. iteration 1035: trace = 2.393107377921311 (4.05938e-05% change) linmin: converged after 6 iterations. iteration 1036: trace = 2.393106544994858 (3.48052e-05% change) linmin: converged after 8 iterations. iteration 1037: trace = 2.393105312093327 (5.15189e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39310418081785 (4.72723e-05% change) linmin: converged after 16 iterations. iteration 1039: trace = 2.393103625918671 (2.31874e-05% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.393102818169142 (3.37532e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393102591058088 (9.49023e-06% change) linmin: converged after 5 iterations. iteration 1042: trace = 2.393102220825425 (1.54708e-05% change) linmin: converged after 10 iterations. iteration 1043: trace = 2.39310201524262 (8.59064e-06% change) linmin: converged after 7 iterations. iteration 1044: trace = 2.393101887595564 (5.33396e-06% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.393101742967519 (6.04354e-06% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.393101662070973 (3.38041e-06% change) linmin: converged after 13 iterations. iteration 1047: trace = 2.393101511426409 (6.29495e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393101376643174 (5.63216e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393101226801514 (6.2614e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.39310112836271 (4.11344e-06% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.393100994866044 (5.5784e-06% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.39310081613479 (7.46861e-06% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.393100753023583 (2.63721e-06% change) large trace change predicted (6.22506e-06%) linmin: converged after 6 iterations. iteration 1054: trace = 2.393100604051623 (6.22506e-06% change) linmin: converged after 22 iterations. iteration 1055: trace = 2.393100417964137 (7.776e-06% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.393100307822921 (4.60245e-06% change) large trace change predicted (1.56514e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393099933284774 (1.56508e-05% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.393099811867278 (5.07365e-06% change) large trace change predicted (3.74113e-05%) linmin: converged after 6 iterations. iteration 1059: trace = 2.393098916623484 (3.74094e-05% change) linmin: converged after 5 iterations. iteration 1060: trace = 2.393098356388159 (2.34105e-05% change) linmin: converged after 12 iterations. iteration 1061: trace = 2.393097485111014 (3.64079e-05% change) linmin: converged after 2 iterations. iteration 1062: trace = 2.393096449267765 (4.32846e-05% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.393096161268076 (1.20346e-05% change) large trace change predicted (3.25804e-05%) linmin: converged after 5 iterations. iteration 1064: trace = 2.393095381571845 (3.25811e-05% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.393095163875945 (9.09683e-06% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393094867597897 (1.23805e-05% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.393094554655817 (1.30769e-05% change) linmin: converged after 5 iterations. iteration 1068: trace = 2.393094384542212 (7.10852e-06% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.39309407001425 (1.31431e-05% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.393093544973669 (2.19398e-05% change) linmin: converged after 7 iterations. iteration 1071: trace = 2.3930933717581 (7.23814e-06% change) large trace change predicted (2.03637e-05%) linmin: converged after 4 iterations. iteration 1072: trace = 2.393092884426113 (2.03641e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.39309270613377 (7.45029e-06% change) linmin: converged after 8 iterations. iteration 1074: trace = 2.393092445736498 (1.08812e-05% change) linmin: converged after 5 iterations. iteration 1075: trace = 2.393092092814343 (1.47475e-05% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.393091910411958 (7.62204e-06% change) large trace change predicted (2.81377e-05%) linmin: converged after 6 iterations. iteration 1077: trace = 2.393091237038153 (2.81382e-05% change) linmin: converged after 6 iterations. iteration 1078: trace = 2.393090863867451 (1.55937e-05% change) large trace change predicted (5.92594e-05%) linmin: converged after 3 iterations. iteration 1079: trace = 2.393089445617551 (5.92644e-05% change) linmin: converged after 5 iterations. iteration 1080: trace = 2.393088601198425 (3.52857e-05% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.393087656900365 (3.94594e-05% change) linmin: converged after 2 iterations. iteration 1082: trace = 2.393086343648524 (5.48769e-05% change) linmin: converged after 7 iterations. iteration 1083: trace = 2.393085899772788 (1.85483e-05% change) large trace change predicted (6.43883e-05%) linmin: converged after 6 iterations. iteration 1084: trace = 2.393084358843782 (6.43909e-05% change) linmin: converged after 6 iterations. iteration 1085: trace = 2.393084088825352 (1.12833e-05% change) large trace change predicted (2.65218e-05%) linmin: converged after 4 iterations. iteration 1086: trace = 2.393083454134272 (2.65219e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393083083349222 (1.5494e-05% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.393082944869308 (5.78667e-06% change) large trace change predicted (1.38278e-05%) linmin: converged after 4 iterations. iteration 1089: trace = 2.393082613949314 (1.38282e-05% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393082501702558 (4.69047e-06% change) large trace change predicted (1.70856e-05%) linmin: converged after 4 iterations. iteration 1091: trace = 2.393082092816134 (1.70862e-05% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.393081911922593 (7.55902e-06% change) large trace change predicted (1.66515e-05%) linmin: converged after 5 iterations. iteration 1093: trace = 2.393081513423216 (1.66521e-05% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.393081073514513 (1.83825e-05% change) linmin: converged after 9 iterations. iteration 1095: trace = 2.393080712540959 (1.50841e-05% change) large trace change predicted (3.16772e-05%) linmin: converged after 5 iterations. iteration 1096: trace = 2.393079954486825 (3.16769e-05% change) linmin: converged after 14 iterations. iteration 1097: trace = 2.393079637526969 (1.32449e-05% change) large trace change predicted (4.80173e-05%) linmin: converged after 7 iterations. iteration 1098: trace = 2.393078488439423 (4.80171e-05% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.393078107331678 (1.59254e-05% change) large trace change predicted (4.15036e-05%) linmin: converged after 4 iterations. iteration 1100: trace = 2.393077114143851 (4.15025e-05% change) linmin: converged after 8 iterations. iteration 1101: trace = 2.393076413745305 (2.92677e-05% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.393075444196486 (4.05148e-05% change) linmin: converged after 2 iterations. iteration 1103: trace = 2.393073990404941 (6.07499e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393073504941876 (2.02862e-05% change) large trace change predicted (5.45688e-05%) linmin: converged after 5 iterations. iteration 1105: trace = 2.393072199021882 (5.45708e-05% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.393071953318385 (1.02673e-05% change) linmin: converged after 5 iterations. iteration 1107: trace = 2.393071470072697 (2.01935e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393071319652051 (6.28567e-06% change) linmin: converged after 5 iterations. iteration 1109: trace = 2.393071198125446 (5.07827e-06% change) linmin: converged after 9 iterations. iteration 1110: trace = 2.393070965954303 (9.70181e-06% change) linmin: converged after 5 iterations. iteration 1111: trace = 2.393070889654453 (3.18837e-06% change) large trace change predicted (2.22932e-05%) linmin: converged after 4 iterations. iteration 1112: trace = 2.393070356181004 (2.22924e-05% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.393069968449168 (1.62023e-05% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.393069202793356 (3.19947e-05% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.393068301127172 (3.76782e-05% change) linmin: converged after 13 iterations. iteration 1116: trace = 2.393067722048569 (2.41982e-05% change) large trace change predicted (9.19829e-05%) linmin: converged after 4 iterations. iteration 1117: trace = 2.393065520867552 (9.19816e-05% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.393064689941259 (3.47223e-05% change) large trace change predicted (9.60855e-05%) linmin: converged after 4 iterations. iteration 1119: trace = 2.393062390556415 (9.60854e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1120: trace = 2.393061907647628 (2.01795e-05% change) linmin: converged after 5 iterations. iteration 1121: trace = 2.393061048252754 (3.59119e-05% change) linmin: converged after 14 iterations. iteration 1122: trace = 2.393059872855201 (4.91169e-05% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.393059320051554 (2.31003e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393058266865268 (4.401e-05% change) linmin: converged after 3 iterations. iteration 1125: trace = 2.393057894337316 (1.5567e-05% change) linmin: converged after 12 iterations. iteration 1126: trace = 2.393057397209215 (2.07738e-05% change) linmin: converged after 9 iterations. iteration 1127: trace = 2.393056929408738 (1.95482e-05% change) linmin: converged after 8 iterations. iteration 1128: trace = 2.393056793196666 (5.69197e-06% change) linmin: converged after 7 iterations. iteration 1129: trace = 2.393056636330743 (6.55504e-06% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.393056577282556 (2.46748e-06% change) linmin: converged after 9 iterations. iteration 1131: trace = 2.393056481197897 (4.01514e-06% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.393056313970586 (6.98802e-06% change) linmin: converged after 5 iterations. iteration 1133: trace = 2.393056213978011 (4.17845e-06% change) large trace change predicted (9.53275e-06%) linmin: converged after 16 iterations. iteration 1134: trace = 2.393055985856769 (9.53263e-06% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.393055885516753 (4.19297e-06% change) large trace change predicted (1.62786e-05%) linmin: converged after 4 iterations. iteration 1136: trace = 2.393055495972824 (1.62781e-05% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.393055147975143 (1.4542e-05% change) linmin: converged after 9 iterations. iteration 1138: trace = 2.393054722299685 (1.7788e-05% change) linmin: converged after 7 iterations. iteration 1139: trace = 2.393053983487088 (3.08732e-05% change) linmin: converged after 6 iterations. iteration 1140: trace = 2.393053620070797 (1.51863e-05% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.393052957426222 (2.76903e-05% change) linmin: converged after 8 iterations. iteration 1142: trace = 2.393052809805668 (6.16871e-06% change) linmin: converged after 6 iterations. iteration 1143: trace = 2.39305254720378 (1.09735e-05% change) linmin: converged after 12 iterations. iteration 1144: trace = 2.393052428393714 (4.96479e-06% change) linmin: converged after 7 iterations. iteration 1145: trace = 2.393052292326862 (5.68591e-06% change) linmin: converged after 21 iterations. iteration 1146: trace = 2.393052178997177 (4.73578e-06% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.393052085976461 (3.88712e-06% change) linmin: converged after 15 iterations. iteration 1148: trace = 2.393051973227678 (4.71151e-06% change) linmin: converged after 18 iterations. iteration 1149: trace = 2.393051919144841 (2.25999e-06% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.393051817817489 (4.23423e-06% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.393051757785931 (2.50858e-06% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393051650474429 (4.4843e-06% change) linmin: converged after 9 iterations. iteration 1153: trace = 2.393051547210451 (4.31516e-06% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393051497212539 (2.0893e-06% change) large trace change predicted (8.09282e-06%) linmin: converged after 4 iterations. iteration 1155: trace = 2.393051303548169 (8.09278e-06% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.393051246490884 (2.38429e-06% change) large trace change predicted (1.28021e-05%) linmin: converged after 4 iterations. iteration 1157: trace = 2.393050940136558 (1.28018e-05% change) linmin: converged after 5 iterations. iteration 1158: trace = 2.393050633913529 (1.27963e-05% change) linmin: converged after 5 iterations. iteration 1159: trace = 2.393050426135584 (8.68256e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393050014770256 (1.719e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393049863877453 (6.30546e-06% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.393049672894141 (7.98075e-06% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.393049558484056 (4.78093e-06% change) linmin: converged after 10 iterations. iteration 1164: trace = 2.393049526234221 (1.34765e-06% change) large trace change predicted (2.74476e-06%) linmin: converged after 4 iterations. iteration 1165: trace = 2.393049460550655 (2.74476e-06% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393049390118983 (2.94318e-06% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.393049363325281 (1.11965e-06% change) large trace change predicted (4.35704e-06%) linmin: converged after 7 iterations. iteration 1168: trace = 2.393049259059905 (4.35701e-06% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.393049230382702 (1.19835e-06% change) large trace change predicted (3.16191e-06%) linmin: converged after 4 iterations. iteration 1170: trace = 2.393049154716225 (3.16193e-06% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.393049072669999 (3.42852e-06% change) linmin: converged after 5 iterations. iteration 1172: trace = 2.39304903426945 (1.60467e-06% change) large trace change predicted (4.05615e-06%) linmin: converged after 4 iterations. iteration 1173: trace = 2.393048937205764 (4.05607e-06% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.393048855806208 (3.4015e-06% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.393048800788928 (2.29905e-06% change) large trace change predicted (4.81272e-06%) linmin: converged after 3 iterations. iteration 1176: trace = 2.393048685618508 (4.81271e-06% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.393048647964936 (1.57346e-06% change) large trace change predicted (7.01633e-06%) linmin: converged after 7 iterations. iteration 1178: trace = 2.393048480059437 (7.01638e-06% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.393048398886548 (3.39203e-06% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.393048327179467 (2.99647e-06% change) linmin: converged after 5 iterations. iteration 1181: trace = 2.393048187641832 (5.83096e-06% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.393048155801966 (1.33052e-06% change) large trace change predicted (2.89437e-06%) linmin: converged after 4 iterations. iteration 1183: trace = 2.393048086539163 (2.89433e-06% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.393048059027911 (1.14963e-06% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.393048038484825 (8.58449e-07% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.393048023757459 (6.15423e-07% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393048016414866 (3.0683e-07% change) large trace change predicted (7.18518e-07%) linmin: converged after 5 iterations. iteration 1188: trace = 2.393047999219796 (7.18543e-07% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.393047967625424 (1.32026e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393047947561436 (8.38428e-07% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393047923667888 (9.98457e-07% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393047916988678 (2.79109e-07% change) linmin: converged after 5 iterations. iteration 1193: trace = 2.393047904038039 (5.41178e-07% change) large trace change predicted (1.17316e-06%) linmin: converged after 4 iterations. iteration 1194: trace = 2.393047875963763 (1.17316e-06% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393047864009566 (4.99539e-07% change) large trace change predicted (2.01139e-06%) linmin: converged after 4 iterations. iteration 1196: trace = 2.393047815875889 (2.0114e-06% change) linmin: converged after 9 iterations. iteration 1197: trace = 2.393047748350392 (2.82174e-06% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.393047695124176 (2.2242e-06% change) large trace change predicted (5.32856e-06%) linmin: converged after 7 iterations. iteration 1199: trace = 2.393047567611163 (5.32848e-06% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.393047498561061 (2.88545e-06% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.393047415199051 (3.48351e-06% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.393047295272089 (5.01147e-06% change) linmin: converged after 13 iterations. iteration 1203: trace = 2.393047271790389 (9.81247e-07% change) large trace change predicted (4.26972e-06%) linmin: converged after 4 iterations. iteration 1204: trace = 2.393047169613124 (4.26976e-06% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.393047101037706 (2.86561e-06% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393047070561835 (1.27352e-06% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393047014100219 (2.3594e-06% change) linmin: converged after 7 iterations. iteration 1208: trace = 2.393046964400122 (2.07685e-06% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393046922481839 (1.75167e-06% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.393046855610147 (2.79442e-06% change) linmin: converged after 10 iterations. iteration 1211: trace = 2.393046822384393 (1.38843e-06% change) linmin: converged after 12 iterations. iteration 1212: trace = 2.393046777420315 (1.87895e-06% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.3930467559094 (8.98892e-07% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.393046714283628 (1.73945e-06% change) linmin: converged after 4 iterations. iteration 1215: trace = 2.393046647159569 (2.80496e-06% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.393046618044147 (1.21667e-06% change) large trace change predicted (5.04378e-06%) linmin: converged after 4 iterations. iteration 1217: trace = 2.393046497343111 (5.04382e-06% change) linmin: converged after 7 iterations. iteration 1218: trace = 2.393046441524758 (2.33252e-06% change) large trace change predicted (6.59313e-06%) linmin: converged after 12 iterations. iteration 1219: trace = 2.393046283746031 (6.59322e-06% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393046073002106 (8.80651e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393045965161225 (4.50643e-06% change) large trace change predicted (9.36847e-06%) linmin: converged after 4 iterations. iteration 1222: trace = 2.393045740967892 (9.36853e-06% change) linmin: converged after 8 iterations. iteration 1223: trace = 2.393045694803439 (1.92911e-06% change) large trace change predicted (4.34704e-06%) linmin: converged after 4 iterations. iteration 1224: trace = 2.393045590776737 (4.34704e-06% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393045530747066 (2.50851e-06% change) linmin: converged after 7 iterations. iteration 1226: trace = 2.393045508600661 (9.25449e-07% change) large trace change predicted (2.14741e-06%) linmin: converged after 3 iterations. iteration 1227: trace = 2.393045457212558 (2.14739e-06% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.393045420472612 (1.53528e-06% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393045381572905 (1.62553e-06% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.393045325525357 (2.3421e-06% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.393045305231889 (8.48019e-07% change) large trace change predicted (2.99011e-06%) linmin: converged after 4 iterations. iteration 1232: trace = 2.393045233676639 (2.99013e-06% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.393045206440279 (1.13815e-06% change) large trace change predicted (2.46104e-06%) linmin: converged after 5 iterations. iteration 1234: trace = 2.393045147546375 (2.46104e-06% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.393045048343727 (4.14546e-06% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.393045015027994 (1.39219e-06% change) large trace change predicted (8.42607e-06%) linmin: converged after 17 iterations. iteration 1237: trace = 2.393044813384 (8.42625e-06% change) linmin: converged after 7 iterations. iteration 1238: trace = 2.393044734446117 (3.29864e-06% change) large trace change predicted (1.16298e-05%) linmin: converged after 5 iterations. iteration 1239: trace = 2.393044456127801 (1.16303e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.393044306117916 (6.26858e-06% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.393044184071984 (5.10003e-06% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.393043998039914 (7.77387e-06% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.393043955033063 (1.79716e-06% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.393043872842907 (3.43454e-06% change) linmin: converged after 9 iterations. iteration 1245: trace = 2.393043841931693 (1.29171e-06% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.393043786965595 (2.29691e-06% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.393043757389542 (1.23592e-06% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.393043734574912 (9.53373e-07% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393043710572849 (1.00299e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393043694718971 (6.62498e-07% change) large trace change predicted (2.86878e-06%) linmin: converged after 5 iterations. iteration 1251: trace = 2.393043626068016 (2.86877e-06% change) linmin: converged after 5 iterations. iteration 1252: trace = 2.39304358606922 (1.67146e-06% change) large trace change predicted (5.93772e-06%) linmin: converged after 5 iterations. iteration 1253: trace = 2.393043443977348 (5.93771e-06% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393043331829206 (4.68642e-06% change) linmin: converged after 18 iterations. iteration 1255: trace = 2.393043156272861 (7.33611e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.393042937491655 (9.14238e-06% change) linmin: converged after 5 iterations. iteration 1257: trace = 2.393042835473432 (4.26312e-06% change) linmin: converged after 4 iterations. iteration 1258: trace = 2.393042688906305 (6.12472e-06% change) linmin: converged after 9 iterations. iteration 1259: trace = 2.393042580942389 (4.51158e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393042494444168 (3.61457e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.39304237227144 (5.10533e-06% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.393042243073924 (5.39888e-06% change) linmin: converged after 16 iterations. iteration 1263: trace = 2.393042128941284 (4.76935e-06% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.393041958163209 (7.13644e-06% change) linmin: converged after 5 iterations. iteration 1265: trace = 2.393041922584542 (1.48675e-06% change) large trace change predicted (3.82482e-06%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393041831054881 (3.82482e-06% change) linmin: converged after 6 iterations. iteration 1267: trace = 2.393041791783825 (1.64105e-06% change) linmin: converged after 5 iterations. iteration 1268: trace = 2.393041778601877 (5.50845e-07% change) linmin: converged after 18 iterations. iteration 1269: trace = 2.393041760731506 (7.46764e-07% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.393041742172457 (7.75542e-07% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.393041734290477 (3.29371e-07% change) large trace change predicted (1.24361e-06%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393041704530217 (1.24362e-06% change) linmin: converged after 6 iterations. iteration 1273: trace = 2.39304169177772 (5.32899e-07% change) large trace change predicted (1.25106e-06%) linmin: converged after 4 iterations. iteration 1274: trace = 2.393041661839282 (1.25106e-06% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.393041609769208 (2.1759e-06% change) linmin: converged after 5 iterations. iteration 1276: trace = 2.393041577259654 (1.3585e-06% change) large trace change predicted (3.94594e-06%) linmin: converged after 4 iterations. iteration 1277: trace = 2.393041482832614 (3.9459e-06% change) linmin: converged after 12 iterations. iteration 1278: trace = 2.393041396969246 (3.58804e-06% change) linmin: converged after 10 iterations. iteration 1279: trace = 2.393041337007489 (2.50567e-06% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.393041261513101 (3.15475e-06% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.393041240384274 (8.82928e-07% change) linmin: converged after 5 iterations. iteration 1282: trace = 2.393041211258452 (1.2171e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393041183268687 (1.16963e-06% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.393041174510145 (3.66e-07% change) large trace change predicted (9.83093e-07%) linmin: converged after 4 iterations. iteration 1285: trace = 2.393041150984479 (9.83087e-07% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393041146117166 (2.03394e-07% change) large trace change predicted (7.89198e-07%) linmin: converged after 4 iterations. iteration 1287: trace = 2.393041127231414 (7.89195e-07% change) linmin: converged after 5 iterations. iteration 1288: trace = 2.393041118407331 (3.68739e-07% change) linmin: converged after 9 iterations. iteration 1289: trace = 2.393041107212448 (4.6781e-07% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.393041092008245 (6.35351e-07% change) linmin: converged after 4 iterations. iteration 1291: trace = 2.393041086023486 (2.5009e-07% change) large trace change predicted (7.32309e-07%) linmin: converged after 4 iterations. iteration 1292: trace = 2.393041068498797 (7.32319e-07% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.393041055230614 (5.54449e-07% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393041037293166 (7.49567e-07% change) large trace change predicted (1.5871e-06%) linmin: converged after 8 iterations. iteration 1295: trace = 2.393040999313733 (1.58708e-06% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.393040977636887 (9.05828e-07% change) large trace change predicted (1.98654e-06%) linmin: converged after 6 iterations. iteration 1297: trace = 2.393040930097839 (1.98655e-06% change) linmin: converged after 10 iterations. iteration 1298: trace = 2.39304089024491 (1.66537e-06% change) linmin: converged after 6 iterations. iteration 1299: trace = 2.39304087043698 (8.27731e-07% change) large trace change predicted (1.75246e-06%) linmin: converged after 4 iterations. iteration 1300: trace = 2.39304082850022 (1.75245e-06% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.393040823596781 (2.04904e-07% change) large trace change predicted (7.02836e-07%) linmin: converged after 4 iterations. iteration 1302: trace = 2.393040806777944 (7.02823e-07% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.393040799199992 (3.16666e-07% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.393040793588882 (2.34476e-07% change) linmin: converged after 6 iterations. iteration 1305: trace = 2.393040785610138 (3.33414e-07% change) linmin: converged after 3 iterations. iteration 1306: trace = 2.393040781529431 (1.70524e-07% change) large trace change predicted (5.7901e-07%) linmin: converged after 4 iterations. iteration 1307: trace = 2.393040767673701 (5.79001e-07% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.393040764117479 (1.48607e-07% change) large trace change predicted (4.67503e-07%) linmin: converged after 5 iterations. iteration 1309: trace = 2.393040752930362 (4.67485e-07% change) linmin: converged after 17 iterations. iteration 1310: trace = 2.393040744338404 (3.59039e-07% change) linmin: converged after 5 iterations. iteration 1311: trace = 2.393040738644882 (2.3792e-07% change) large trace change predicted (5.43118e-07%) linmin: converged after 4 iterations. iteration 1312: trace = 2.39304072564791 (5.43115e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393040720932457 (1.97049e-07% change) large trace change predicted (6.63301e-07%) linmin: converged after 9 iterations. iteration 1314: trace = 2.393040705059309 (6.63305e-07% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.393040700724848 (1.81128e-07% change) large trace change predicted (6.34246e-07%) linmin: converged after 7 iterations. iteration 1316: trace = 2.393040685546813 (6.34257e-07% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393040675332705 (4.26825e-07% change) linmin: converged after 4 iterations. iteration 1318: trace = 2.39304066151545 (5.77393e-07% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.393040642637224 (7.8888e-07% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393040635856141 (2.83367e-07% change) large trace change predicted (6.73284e-07%) linmin: converged after 4 iterations. iteration 1321: trace = 2.39304061974444 (6.73273e-07% change) linmin: converged after 5 iterations. iteration 1322: trace = 2.393040614532548 (2.17794e-07% change) linmin: converged after 4 iterations. iteration 1323: trace = 2.393040609337865 (2.17075e-07% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.39304060472102 (1.92928e-07% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.393040603294851 (5.95965e-08% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393040601248568 (8.55098e-08% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.39304059953517 (7.15992e-08% change) linmin: converged after 15 iterations. iteration 1328: trace = 2.393040597550162 (8.29492e-08% change) large trace change predicted (4.12466e-07%) linmin: converged after 4 iterations. iteration 1329: trace = 2.393040587679593 (4.1247e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393040580465429 (3.01464e-07% change) linmin: converged after 14 iterations. iteration 1331: trace = 2.393040577823084 (1.10418e-07% change) linmin: converged after 14 iterations. iteration 1332: trace = 2.393040576387055 (6.00086e-08% change) linmin: converged after 4 iterations. iteration 1333: trace = 2.393040574178111 (9.2307e-08% change) linmin: converged after 8 iterations. iteration 1334: trace = 2.393040571499711 (1.11925e-07% change) linmin: converged after 4 iterations. iteration 1335: trace = 2.393040569596532 (7.95297e-08% change) large trace change predicted (2.07021e-07%) linmin: converged after 9 iterations. iteration 1336: trace = 2.393040564642132 (2.07034e-07% change) linmin: converged after 5 iterations. iteration 1337: trace = 2.393040562209758 (1.01644e-07% change) large trace change predicted (3.27307e-07%) linmin: converged after 5 iterations. iteration 1338: trace = 2.393040554376739 (3.27325e-07% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.39304054180474 (5.25357e-07% change) linmin: converged after 5 iterations. iteration 1340: trace = 2.393040536268622 (2.31342e-07% change) large trace change predicted (8.41378e-07%) linmin: converged after 6 iterations. iteration 1341: trace = 2.393040516134218 (8.41373e-07% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393040509658384 (2.70611e-07% change) large trace change predicted (6.27711e-07%) linmin: converged after 5 iterations. iteration 1343: trace = 2.393040494636819 (6.27719e-07% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.393040483906091 (4.48414e-07% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.393040478143857 (2.40791e-07% change) linmin: converged after 4 iterations. iteration 1346: trace = 2.393040468039669 (4.22232e-07% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.39304046164321 (2.67294e-07% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393040455019982 (2.7677e-07% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.393040446387974 (3.60713e-07% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304044186389 (1.89052e-07% change) linmin: converged after 6 iterations. iteration 1351: trace = 2.393040433127564 (3.65072e-07% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.393040430405385 (1.13754e-07% change) large trace change predicted (2.37904e-07%) linmin: converged after 2 iterations. iteration 1353: trace = 2.39304042471267 (2.37886e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393040418036548 (2.78981e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393040414749368 (1.37364e-07% change) large trace change predicted (3.46598e-07%) linmin: converged after 4 iterations. iteration 1356: trace = 2.393040406455357 (3.46589e-07% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.393040402297147 (1.73763e-07% change) large trace change predicted (4.16905e-07%) linmin: converged after 4 iterations. iteration 1358: trace = 2.393040392320467 (4.16904e-07% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.393040386980613 (2.23141e-07% change) large trace change predicted (7.85649e-07%) linmin: converged after 5 iterations. iteration 1360: trace = 2.393040368179305 (7.85666e-07% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.393040352236456 (6.66217e-07% change) linmin: converged after 13 iterations. iteration 1362: trace = 2.393040327731612 (1.024e-06% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.393040306640131 (8.81368e-07% change) linmin: converged after 4 iterations. iteration 1364: trace = 2.393040292668296 (5.83853e-07% change) linmin: converged after 9 iterations. iteration 1365: trace = 2.393040273055593 (8.19573e-07% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.39304026730585 (2.40269e-07% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.393040258702672 (3.59508e-07% change) linmin: converged after 3 iterations. iteration 1368: trace = 2.393040254815388 (1.62441e-07% change) large trace change predicted (3.27987e-07%) linmin: converged after 4 iterations. iteration 1369: trace = 2.393040246966732 (3.27978e-07% change) linmin: converged after 12 iterations. iteration 1370: trace = 2.393040243101726 (1.6151e-07% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.393040235708201 (3.0896e-07% change) linmin: converged after 11 iterations. iteration 1372: trace = 2.393040230937914 (1.9934e-07% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393040224500106 (2.69022e-07% change) linmin: converged after 14 iterations. iteration 1374: trace = 2.393040220421217 (1.70448e-07% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393040215926551 (1.87822e-07% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393040210289981 (2.3554e-07% change) linmin: converged after 3 iterations. iteration 1377: trace = 2.393040207044586 (1.35618e-07% change) large trace change predicted (3.54976e-07%) linmin: converged after 4 iterations. iteration 1378: trace = 2.393040198549409 (3.54995e-07% change) linmin: converged after 5 iterations. iteration 1379: trace = 2.393040191185979 (3.07702e-07% change) linmin: converged after 10 iterations. iteration 1380: trace = 2.393040180878069 (4.30745e-07% change) linmin: converged after 4 iterations. iteration 1381: trace = 2.393040166052206 (6.19541e-07% change) linmin: converged after 5 iterations. iteration 1382: trace = 2.393040151916325 (5.90708e-07% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393040131334559 (8.60068e-07% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.393040102936467 (1.1867e-06% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.393040086361743 (6.92622e-07% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393040060741587 (1.07061e-06% change) linmin: converged after 12 iterations. iteration 1387: trace = 2.393040044306737 (6.86777e-07% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.393040035905734 (3.5106e-07% change) linmin: converged after 4 iterations. iteration 1389: trace = 2.393040029733259 (2.57934e-07% change) linmin: converged after 4 iterations. iteration 1390: trace = 2.393040024374545 (2.23929e-07% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393040019852315 (1.88974e-07% change) linmin: converged after 8 iterations. iteration 1392: trace = 2.393040015705451 (1.73289e-07% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393040013171896 (1.05872e-07% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.393040009440699 (1.55919e-07% change) linmin: converged after 5 iterations. iteration 1395: trace = 2.393040007625822 (7.58398e-08% change) large trace change predicted (3.22288e-07%) linmin: converged after 4 iterations. iteration 1396: trace = 2.393039999913313 (3.22289e-07% change) linmin: converged after 5 iterations. iteration 1397: trace = 2.393039995345873 (1.90864e-07% change) large trace change predicted (5.44068e-07%) linmin: converged after 4 iterations. iteration 1398: trace = 2.39303998232581 (5.4408e-07% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.393039973329971 (3.75917e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393039966046413 (3.04364e-07% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.393039959739344 (2.63559e-07% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.393039951297119 (3.52782e-07% change) linmin: converged after 12 iterations. iteration 1403: trace = 2.39303994944239 (7.75052e-08% change) large trace change predicted (1.97152e-07%) linmin: converged after 5 iterations. iteration 1404: trace = 2.393039944724751 (1.9714e-07% change) linmin: converged after 11 iterations. iteration 1405: trace = 2.393039941961282 (1.15479e-07% change) large trace change predicted (2.69752e-07%) linmin: converged after 4 iterations. iteration 1406: trace = 2.393039935505679 (2.69766e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393039928260118 (3.02776e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393039924873118 (1.41535e-07% change) large trace change predicted (3.03458e-07%) linmin: converged after 5 iterations. iteration 1409: trace = 2.393039917611174 (3.03461e-07% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.393039907854973 (4.07691e-07% change) linmin: converged after 4 iterations. iteration 1411: trace = 2.393039901783208 (2.53726e-07% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.39303989149737 (4.29823e-07% change) linmin: converged after 4 iterations. iteration 1413: trace = 2.393039885759657 (2.39767e-07% change) linmin: converged after 4 iterations. iteration 1414: trace = 2.393039877549211 (3.43097e-07% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.393039862599887 (6.247e-07% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.393039855733734 (2.86922e-07% change) large trace change predicted (7.28544e-07%) linmin: converged after 4 iterations. iteration 1417: trace = 2.393039838299295 (7.28548e-07% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039825994102 (5.14208e-07% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039817924723 (3.37202e-07% change) linmin: converged after 17 iterations. iteration 1420: trace = 2.393039808595072 (3.89866e-07% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393039805693648 (1.21244e-07% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.393039802246433 (1.44052e-07% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.39303979895529 (1.3753e-07% change) linmin: converged after 11 iterations. iteration 1424: trace = 2.393039798255055 (2.92613e-08% change) large trace change predicted (1.17993e-07%) linmin: converged after 3 iterations. iteration 1425: trace = 2.393039795431879 (1.17974e-07% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.393039794552078 (3.6765e-08% change) large trace change predicted (1.13789e-07%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393039791828929 (1.13795e-07% change) linmin: converged after 12 iterations. iteration 1428: trace = 2.393039788130563 (1.54547e-07% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.393039785570439 (1.06982e-07% change) large trace change predicted (3.96916e-07%) linmin: converged after 4 iterations. iteration 1430: trace = 2.393039776071572 (3.96937e-07% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.393039766972256 (3.80241e-07% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.393039760834495 (2.56484e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393039751063575 (4.08306e-07% change) linmin: converged after 5 iterations. iteration 1434: trace = 2.393039748442839 (1.09515e-07% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393039744679854 (1.57247e-07% change) linmin: converged after 4 iterations. iteration 1436: trace = 2.393039739195992 (2.29159e-07% change) linmin: converged after 5 iterations. iteration 1437: trace = 2.393039737673612 (6.3617e-08% change) large trace change predicted (1.63285e-07%) linmin: converged after 3 iterations. iteration 1438: trace = 2.393039733765839 (1.63297e-07% change) linmin: converged after 4 iterations. iteration 1439: trace = 2.393039730832399 (1.22582e-07% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.39303972807751 (1.15121e-07% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.393039726446243 (6.81672e-08% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.393039725614436 (3.47594e-08% change) linmin: converged after 3 iterations. iteration 1443: trace = 2.393039723965023 (6.89254e-08% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393039723039279 (3.86849e-08% change) linmin: converged after 19 iterations. iteration 1445: trace = 2.393039721569313 (6.14267e-08% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393039719204475 (9.88215e-08% change) linmin: converged after 18 iterations. iteration 1447: trace = 2.393039717647883 (6.50466e-08% change) large trace change predicted (1.47227e-07%) linmin: converged after 7 iterations. iteration 1448: trace = 2.393039714124905 (1.47218e-07% change) linmin: converged after 5 iterations. iteration 1449: trace = 2.393039712100749 (8.45852e-08% change) linmin: converged after 14 iterations. iteration 1450: trace = 2.393039708097894 (1.67271e-07% change) linmin: converged after 5 iterations. iteration 1451: trace = 2.393039705040056 (1.2778e-07% change) linmin: converged after 17 iterations. iteration 1452: trace = 2.393039701713394 (1.39014e-07% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.393039698511534 (1.33799e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393039696323006 (9.14539e-08% change) linmin: converged after 5 iterations. iteration 1455: trace = 2.393039694318851 (8.37493e-08% change) linmin: converged after 7 iterations. iteration 1456: trace = 2.393039693207895 (4.64245e-08% change) linmin: converged after 3 iterations. iteration 1457: trace = 2.393039692001463 (5.04142e-08% change) linmin: converged after 13 iterations. iteration 1458: trace = 2.3930396914881 (2.14523e-08% change) large trace change predicted (5.20299e-08%) linmin: converged after 4 iterations. iteration 1459: trace = 2.393039690243272 (5.20187e-08% change) linmin: converged after 7 iterations. iteration 1460: trace = 2.393039689909187 (1.39607e-08% change) large trace change predicted (4.96809e-08%) linmin: converged after 5 iterations. iteration 1461: trace = 2.393039688720449 (4.96749e-08% change) linmin: converged after 5 iterations. iteration 1462: trace = 2.393039688437892 (1.18074e-08% change) large trace change predicted (3.87266e-08%) linmin: converged after 9 iterations. iteration 1463: trace = 2.39303968751105 (3.87307e-08% change) linmin: converged after 5 iterations. iteration 1464: trace = 2.393039687181636 (1.37655e-08% change) large trace change predicted (5.81374e-08%) linmin: converged after 4 iterations. iteration 1465: trace = 2.393039685790283 (5.81416e-08% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393039684776068 (4.23819e-08% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393039683264678 (6.31578e-08% change) linmin: converged after 15 iterations. iteration 1468: trace = 2.393039682871513 (1.64295e-08% change) large trace change predicted (7.14962e-08%) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039681160638 (7.14938e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1470: trace = 2.393039680166377 (4.1548e-08% change) linmin: converged after 4 iterations. iteration 1471: trace = 2.393039679550376 (2.57414e-08% change) linmin: converged after 4 iterations. iteration 1472: trace = 2.393039678583452 (4.04057e-08% change) linmin: converged after 4 iterations. iteration 1473: trace = 2.393039677720533 (3.60596e-08% change) linmin: converged after 7 iterations. iteration 1474: trace = 2.393039676021905 (7.0982e-08% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039674815157 (5.04274e-08% change) linmin: converged after 12 iterations. iteration 1476: trace = 2.393039674327643 (2.03722e-08% change) linmin: converged after 4 iterations. iteration 1477: trace = 2.393039673442761 (3.69773e-08% change) linmin: converged after 5 iterations. iteration 1478: trace = 2.393039673065327 (1.57722e-08% change) large trace change predicted (4.16376e-08%) linmin: converged after 5 iterations. iteration 1479: trace = 2.393039672069202 (4.16259e-08% change) linmin: converged after 15 iterations. iteration 1480: trace = 2.393039671024631 (4.36504e-08% change) linmin: converged after 4 iterations. iteration 1481: trace = 2.393039670556782 (1.95504e-08% change) large trace change predicted (7.13355e-08%) linmin: converged after 4 iterations. iteration 1482: trace = 2.393039668849255 (7.13539e-08% change) linmin: converged after 4 iterations. iteration 1483: trace = 2.39303966816326 (2.86663e-08% change) large trace change predicted (1.1222e-07%) linmin: converged after 7 iterations. iteration 1484: trace = 2.393039665477931 (1.12214e-07% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393039663357443 (8.86107e-08% change) linmin: converged after 4 iterations. iteration 1486: trace = 2.393039660253508 (1.29707e-07% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393039656745905 (1.46575e-07% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393039655535391 (5.05848e-08% change) large trace change predicted (1.63161e-07%) linmin: converged after 4 iterations. iteration 1489: trace = 2.393039651630815 (1.63164e-07% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393039650422425 (5.0496e-08% change) linmin: converged after 4 iterations. iteration 1491: trace = 2.39303964816717 (9.42423e-08% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.393039647215166 (3.97822e-08% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.393039646510904 (2.94296e-08% change) linmin: converged after 5 iterations. iteration 1494: trace = 2.393039645285069 (5.1225e-08% change) linmin: converged after 12 iterations. iteration 1495: trace = 2.393039644921993 (1.51722e-08% change) large trace change predicted (6.48959e-08%) linmin: converged after 6 iterations. iteration 1496: trace = 2.393039643368809 (6.49042e-08% change) linmin: converged after 6 iterations. iteration 1497: trace = 2.393039642777997 (2.46887e-08% change) large trace change predicted (6.67852e-08%) linmin: converged after 14 iterations. iteration 1498: trace = 2.393039641180009 (6.67765e-08% change) linmin: converged after 4 iterations. iteration 1499: trace = 2.393039639338971 (7.6933e-08% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393039638168414 (4.89151e-08% change) large trace change predicted (1.15279e-07%) linmin: converged after 4 iterations. iteration 1501: trace = 2.393039635409903 (1.15272e-07% change) linmin: converged after 22 iterations. iteration 1502: trace = 2.393039634096779 (5.48726e-08% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.39303963164951 (1.02266e-07% change) linmin: converged after 4 iterations. iteration 1504: trace = 2.393039628167269 (1.45515e-07% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393039625680733 (1.03907e-07% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393039621200853 (1.87205e-07% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393039618457916 (1.14621e-07% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393039613353535 (2.13301e-07% change) linmin: converged after 5 iterations. iteration 1509: trace = 2.393039610233413 (1.30383e-07% change) linmin: converged after 6 iterations. iteration 1510: trace = 2.39303960787677 (9.84791e-08% change) linmin: converged after 3 iterations. iteration 1511: trace = 2.393039606170299 (7.13098e-08% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.39303960506194 (4.6316e-08% change) linmin: converged after 3 iterations. iteration 1513: trace = 2.393039604076756 (4.11687e-08% change) linmin: converged after 15 iterations. iteration 1514: trace = 2.393039603610784 (1.94719e-08% change) large trace change predicted (4.11258e-08%) linmin: converged after 6 iterations. iteration 1515: trace = 2.393039602626793 (4.11189e-08% change) linmin: converged after 4 iterations. iteration 1516: trace = 2.393039601960144 (2.78578e-08% change) linmin: converged after 10 iterations. iteration 1517: trace = 2.393039600735031 (5.11949e-08% change) linmin: converged after 15 iterations. iteration 1518: trace = 2.393039598961888 (7.40958e-08% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393039597182844 (7.43424e-08% change) linmin: converged after 4 iterations. iteration 1520: trace = 2.393039594250012 (1.22557e-07% change) linmin: converged after 4 iterations. iteration 1521: trace = 2.393039592350489 (7.9377e-08% change) large trace change predicted (2.98063e-07%) linmin: converged after 4 iterations. iteration 1522: trace = 2.393039585217721 (2.98063e-07% change) linmin: converged after 4 iterations. iteration 1523: trace = 2.39303958290277 (9.67369e-08% change) large trace change predicted (2.63499e-07%) linmin: converged after 4 iterations. iteration 1524: trace = 2.393039576596954 (2.63507e-07% change) linmin: converged after 10 iterations. iteration 1525: trace = 2.393039573924609 (1.11672e-07% change) linmin: converged after 5 iterations. iteration 1526: trace = 2.393039571534072 (9.98954e-08% change) linmin: converged after 4 iterations. iteration 1527: trace = 2.393039568020138 (1.4684e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393039566869273 (4.80922e-08% change) large trace change predicted (1.29764e-07%) linmin: converged after 5 iterations. iteration 1529: trace = 2.393039563763715 (1.29775e-07% change) linmin: converged after 15 iterations. iteration 1530: trace = 2.393039562685905 (4.50394e-08% change) large trace change predicted (1.04735e-07%) linmin: converged after 4 iterations. iteration 1531: trace = 2.393039560179912 (1.0472e-07% change) linmin: converged after 22 iterations. iteration 1532: trace = 2.393039559216768 (4.02477e-08% change) large trace change predicted (9.04954e-08%) linmin: converged after 8 iterations. iteration 1533: trace = 2.393039557051122 (9.04977e-08% change) linmin: converged after 15 iterations. iteration 1534: trace = 2.393039555727502 (5.53112e-08% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393039555042599 (2.86206e-08% change) large trace change predicted (6.66918e-08%) linmin: converged after 5 iterations. iteration 1536: trace = 2.393039553446658 (6.6691e-08% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393039552997829 (1.87556e-08% change) large trace change predicted (4.05058e-08%) linmin: converged after 15 iterations. iteration 1538: trace = 2.393039552028569 (4.05033e-08% change) linmin: converged after 3 iterations. iteration 1539: trace = 2.393039551435999 (2.47623e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1540: trace = 2.393039551045645 (1.6312e-08% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393039550378476 (2.78796e-08% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.393039549516678 (3.60127e-08% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393039548997058 (2.17138e-08% change) large trace change predicted (7.18249e-08%) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039547278004 (7.18356e-08% change) linmin: converged after 9 iterations. iteration 1545: trace = 2.393039546349622 (3.87951e-08% change) linmin: converged after 4 iterations. iteration 1546: trace = 2.393039544672926 (7.00655e-08% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393039543099079 (6.57677e-08% change) linmin: converged after 4 iterations. iteration 1548: trace = 2.393039542073008 (4.28773e-08% change) large trace change predicted (9.84477e-08%) linmin: converged after 5 iterations. iteration 1549: trace = 2.39303953971701 (9.84521e-08% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.39303953811054 (6.71309e-08% change) linmin: converged after 10 iterations. iteration 1551: trace = 2.39303953611149 (8.3536e-08% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393039533750612 (9.86561e-08% change) linmin: converged after 5 iterations. iteration 1553: trace = 2.393039532245778 (6.28838e-08% change) large trace change predicted (1.54698e-07%) linmin: converged after 4 iterations. iteration 1554: trace = 2.393039528544007 (1.54689e-07% change) linmin: converged after 3 iterations. iteration 1555: trace = 2.393039526941381 (6.69703e-08% change) linmin: converged after 3 iterations. iteration 1556: trace = 2.393039523805046 (1.31061e-07% change) linmin: converged after 5 iterations. iteration 1557: trace = 2.393039521291419 (1.05039e-07% change) linmin: converged after 6 iterations. iteration 1558: trace = 2.393039520186697 (4.6164e-08% change) linmin: converged after 3 iterations. iteration 1559: trace = 2.393039518274729 (7.98971e-08% change) linmin: converged after 6 iterations. iteration 1560: trace = 2.393039517758407 (2.1576e-08% change) large trace change predicted (4.57378e-08%) linmin: converged after 7 iterations. iteration 1561: trace = 2.393039516663837 (4.57397e-08% change) linmin: converged after 12 iterations. iteration 1562: trace = 2.393039516187216 (1.9917e-08% change) linmin: converged after 4 iterations. iteration 1563: trace = 2.393039515981591 (8.59262e-09% change) large trace change predicted (2.97848e-08%) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039515268685 (2.97908e-08% change) linmin: converged after 7 iterations. iteration 1565: trace = 2.39303951479569 (1.97654e-08% change) linmin: converged after 3 iterations. iteration 1566: trace = 2.3930395140593 (3.07722e-08% change) linmin: converged after 3 iterations. iteration 1567: trace = 2.393039513181621 (3.66763e-08% change) linmin: converged after 11 iterations. iteration 1568: trace = 2.393039512646754 (2.23509e-08% change) large trace change predicted (4.88222e-08%) linmin: converged after 5 iterations. iteration 1569: trace = 2.393039511478558 (4.88164e-08% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039509732215 (7.29759e-08% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393039509176642 (2.32162e-08% change) large trace change predicted (7.76329e-08%) linmin: converged after 4 iterations. iteration 1572: trace = 2.39303950731891 (7.76306e-08% change) linmin: converged after 5 iterations. iteration 1573: trace = 2.393039506243734 (4.49293e-08% change) linmin: converged after 5 iterations. iteration 1574: trace = 2.393039505347019 (3.74718e-08% change) linmin: converged after 8 iterations. iteration 1575: trace = 2.393039503784988 (6.52739e-08% change) linmin: converged after 6 iterations. iteration 1576: trace = 2.393039502734971 (4.3878e-08% change) linmin: converged after 3 iterations. iteration 1577: trace = 2.393039501388015 (5.62864e-08% change) linmin: converged after 4 iterations. iteration 1578: trace = 2.393039500304252 (4.52882e-08% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393039500081274 (9.31778e-09% change) large trace change predicted (2.11524e-08%) linmin: converged after 4 iterations. iteration 1580: trace = 2.393039499575118 (2.11512e-08% change) linmin: converged after 3 iterations. iteration 1581: trace = 2.393039499291119 (1.18677e-08% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393039499169742 (5.07205e-09% change) large trace change predicted (1.38671e-08%) linmin: converged after 3 iterations. iteration 1583: trace = 2.393039498838404 (1.38459e-08% change) linmin: converged after 5 iterations. iteration 1584: trace = 2.393039498665226 (7.23675e-09% change) large trace change predicted (2.0901e-08%) linmin: converged after 8 iterations. iteration 1585: trace = 2.393039498164887 (2.09081e-08% change) linmin: converged after 15 iterations. iteration 1586: trace = 2.393039497398028 (3.20454e-08% change) linmin: converged after 5 iterations. iteration 1587: trace = 2.393039496949947 (1.87243e-08% change) linmin: converged after 12 iterations. iteration 1588: trace = 2.393039496108023 (3.51822e-08% change) linmin: converged after 12 iterations. iteration 1589: trace = 2.393039494922017 (4.95607e-08% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.393039494217895 (2.94238e-08% change) linmin: converged after 5 iterations. iteration 1591: trace = 2.393039493122616 (4.57693e-08% change) linmin: converged after 5 iterations. iteration 1592: trace = 2.393039492864662 (1.07794e-08% change) large trace change predicted (2.54462e-08%) linmin: converged after 3 iterations. iteration 1593: trace = 2.393039492255582 (2.54521e-08% change) linmin: converged after 3 iterations. iteration 1594: trace = 2.393039491909563 (1.44594e-08% change) linmin: converged after 3 iterations. iteration 1595: trace = 2.393039491767119 (5.95242e-09% change) large trace change predicted (1.2642e-08%) linmin: converged after 6 iterations. iteration 1596: trace = 2.39303949146463 (1.26404e-08% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039491352178 (4.69914e-09% change) large trace change predicted (1.16861e-08%) linmin: converged after 3 iterations. iteration 1598: trace = 2.393039491072554 (1.16849e-08% change) linmin: converged after 3 iterations. iteration 1599: trace = 2.393039490909507 (6.81338e-09% change) linmin: converged after 3 iterations. iteration 1600: trace = 2.393039490781077 (5.36682e-09% change) large trace change predicted (1.15925e-08%) linmin: converged after 13 iterations. iteration 1601: trace = 2.393039490503157 (1.16137e-08% change) linmin: converged after 12 iterations. iteration 1602: trace = 2.393039490349005 (6.44167e-09% change) large trace change predicted (1.48413e-08%) linmin: converged after 15 iterations. iteration 1603: trace = 2.393039489993615 (1.4851e-08% change) linmin: converged after 5 iterations. iteration 1604: trace = 2.393039489802804 (7.9736e-09% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.39303948955998 (1.01471e-08% change) linmin: converged after 4 iterations. iteration 1606: trace = 2.393039489352978 (8.65019e-09% change) large trace change predicted (1.80773e-08%) linmin: converged after 4 iterations. iteration 1607: trace = 2.393039488920519 (1.80715e-08% change) large trace change predicted (5.41189e-08%) linmin: converged after 9 iterations. iteration 1608: trace = 2.393039487625458 (5.41178e-08% change) linmin: converged after 4 iterations. iteration 1609: trace = 2.393039486940449 (2.86251e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1610: trace = 2.393039486293925 (2.70169e-08% change) linmin: converged after 4 iterations. iteration 1611: trace = 2.393039485388955 (3.78167e-08% change) linmin: converged after 16 iterations. iteration 1612: trace = 2.393039484755132 (2.64861e-08% change) linmin: converged after 5 iterations. iteration 1613: trace = 2.393039484581986 (7.23542e-09% change) linmin: converged after 12 iterations. iteration 1614: trace = 2.393039484270076 (1.3034e-08% change) linmin: converged after 4 iterations. iteration 1615: trace = 2.3930394840887 (7.57933e-09% change) linmin: converged after 8 iterations. iteration 1616: trace = 2.393039483826325 (1.09641e-08% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.393039483556265 (1.12852e-08% change) linmin: converged after 4 iterations. iteration 1618: trace = 2.393039483413313 (5.97367e-09% change) linmin: converged after 4 iterations. iteration 1619: trace = 2.393039483222195 (7.98642e-09% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393039482975173 (1.03225e-08% change) linmin: converged after 3 iterations. iteration 1621: trace = 2.393039482905158 (2.92576e-09% change) large trace change predicted (1.03505e-08%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393039482657469 (1.03504e-08% change) linmin: converged after 4 iterations. iteration 1623: trace = 2.393039482463617 (8.1007e-09% change) linmin: converged after 15 iterations. iteration 1624: trace = 2.39303948231253 (6.31359e-09% change) large trace change predicted (1.79524e-08%) linmin: converged after 10 iterations. iteration 1625: trace = 2.393039481882585 (1.79665e-08% change) linmin: converged after 15 iterations. iteration 1626: trace = 2.393039481512064 (1.54833e-08% change) linmin: converged after 3 iterations. iteration 1627: trace = 2.393039481125546 (1.61518e-08% change) large trace change predicted (4.33055e-08%) linmin: converged after 11 iterations. iteration 1628: trace = 2.393039480089096 (4.3311e-08% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393039479778296 (1.29876e-08% change) large trace change predicted (4.01142e-08%) linmin: converged after 3 iterations. iteration 1630: trace = 2.393039478818425 (4.0111e-08% change) linmin: converged after 4 iterations. iteration 1631: trace = 2.393039478251282 (2.36997e-08% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393039477978005 (1.14197e-08% change) linmin: converged after 4 iterations. iteration 1633: trace = 2.393039477457784 (2.17389e-08% change) linmin: converged after 12 iterations. iteration 1634: trace = 2.393039477370332 (3.65444e-09% change) large trace change predicted (1.15765e-08%) linmin: converged after 4 iterations. iteration 1635: trace = 2.39303947709371 (1.15594e-08% change) linmin: converged after 18 iterations. iteration 1636: trace = 2.393039476968507 (5.23196e-09% change) linmin: converged after 7 iterations. iteration 1637: trace = 2.393039476828804 (5.83787e-09% change) linmin: converged after 13 iterations. iteration 1638: trace = 2.393039476564597 (1.10407e-08% change) linmin: converged after 15 iterations. iteration 1639: trace = 2.393039476411133 (6.41293e-09% change) large trace change predicted (1.87805e-08%) linmin: converged after 3 iterations. iteration 1640: trace = 2.393039475961852 (1.87745e-08% change) linmin: converged after 4 iterations. iteration 1641: trace = 2.393039475097981 (3.60993e-08% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393039474596353 (2.0962e-08% change) linmin: converged after 8 iterations. iteration 1643: trace = 2.393039473609147 (4.12532e-08% change) linmin: converged after 5 iterations. iteration 1644: trace = 2.39303947320107 (1.70527e-08% change) linmin: converged after 6 iterations. iteration 1645: trace = 2.393039472392492 (3.37887e-08% change) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039471941734 (1.88362e-08% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039471307997 (2.64825e-08% change) linmin: converged after 13 iterations. iteration 1648: trace = 2.393039470715139 (2.47743e-08% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039470151842 (2.3539e-08% change) linmin: converged after 12 iterations. iteration 1650: trace = 2.393039469530336 (2.59714e-08% change) linmin: converged after 5 iterations. iteration 1651: trace = 2.393039469337136 (8.07342e-09% change) large trace change predicted (2.03484e-08%) linmin: converged after 6 iterations. iteration 1652: trace = 2.393039468849951 (2.03584e-08% change) linmin: converged after 4 iterations. iteration 1653: trace = 2.393039468640968 (8.73295e-09% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039468430554 (8.79275e-09% change) linmin: converged after 15 iterations. iteration 1655: trace = 2.393039468148006 (1.18071e-08% change) linmin: converged after 4 iterations. iteration 1656: trace = 2.393039468004484 (5.9975e-09% change) linmin: converged after 9 iterations. iteration 1657: trace = 2.393039467735419 (1.12436e-08% change) linmin: converged after 10 iterations. iteration 1658: trace = 2.393039467579606 (6.51112e-09% change) large trace change predicted (1.33822e-08%) linmin: converged after 10 iterations. iteration 1659: trace = 2.393039467259216 (1.33884e-08% change) linmin: converged after 4 iterations. iteration 1660: trace = 2.393039466723111 (2.24027e-08% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039466303676 (1.75273e-08% change) large trace change predicted (5.62128e-08%) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039464958745 (5.62018e-08% change) linmin: converged after 5 iterations. iteration 1663: trace = 2.393039464571325 (1.61895e-08% change) large trace change predicted (4.31953e-08%) linmin: converged after 8 iterations. iteration 1664: trace = 2.393039463537659 (4.31947e-08% change) linmin: converged after 5 iterations. iteration 1665: trace = 2.393039462371855 (4.87165e-08% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.39303946193583 (1.82206e-08% change) large trace change predicted (4.27269e-08%) linmin: converged after 11 iterations. iteration 1667: trace = 2.393039460913331 (4.2728e-08% change) linmin: converged after 4 iterations. iteration 1668: trace = 2.39303946070726 (8.61129e-09% change) large trace change predicted (3.3899e-08%) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039459895986 (3.39014e-08% change) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039459494159 (1.67915e-08% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039459126877 (1.53479e-08% change) linmin: converged after 3 iterations. iteration 1672: trace = 2.393039458664493 (1.93221e-08% change) linmin: converged after 12 iterations. iteration 1673: trace = 2.393039458473856 (7.96629e-09% change) large trace change predicted (1.65994e-08%) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039458075997 (1.66257e-08% change) linmin: converged after 18 iterations. iteration 1675: trace = 2.393039457904847 (7.15202e-09% change) linmin: converged after 7 iterations. iteration 1676: trace = 2.393039457600002 (1.27388e-08% change) linmin: converged after 9 iterations. iteration 1677: trace = 2.393039457434273 (6.92547e-09% change) linmin: converged after 3 iterations. iteration 1678: trace = 2.393039457323234 (4.64007e-09% change) linmin: converged after 3 iterations. iteration 1679: trace = 2.393039457118042 (8.57455e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039457014609 (4.32224e-09% change) linmin: converged after 3 iterations. iteration 1681: trace = 2.393039456904316 (4.60889e-09% change) linmin: converged after 7 iterations. iteration 1682: trace = 2.393039456708687 (8.17493e-09% change) linmin: converged after 3 iterations. iteration 1683: trace = 2.393039456565813 (5.97041e-09% change) large trace change predicted (1.5105e-08%) linmin: converged after 6 iterations. iteration 1684: trace = 2.393039456204738 (1.50885e-08% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039456046751 (6.60194e-09% change) large trace change predicted (1.70597e-08%) linmin: converged after 12 iterations. iteration 1686: trace = 2.393039455638738 (1.705e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.393039455243519 (1.65154e-08% change) linmin: converged after 4 iterations. iteration 1688: trace = 2.393039455056417 (7.81859e-09% change) large trace change predicted (1.86223e-08%) linmin: converged after 9 iterations. iteration 1689: trace = 2.393039454611054 (1.86108e-08% change) linmin: converged after 4 iterations. iteration 1690: trace = 2.393039454171322 (1.83754e-08% change) linmin: converged after 9 iterations. iteration 1691: trace = 2.393039453818564 (1.4741e-08% change) large trace change predicted (3.11372e-08%) linmin: converged after 7 iterations. iteration 1692: trace = 2.393039453074008 (3.11134e-08% change) linmin: converged after 5 iterations. iteration 1693: trace = 2.393039452797738 (1.15447e-08% change) large trace change predicted (3.30116e-08%) linmin: converged after 3 iterations. iteration 1694: trace = 2.393039452007406 (3.30263e-08% change) linmin: converged after 6 iterations. iteration 1695: trace = 2.393039451439866 (2.37163e-08% change) linmin: converged after 6 iterations. iteration 1696: trace = 2.393039451134685 (1.27529e-08% change) large trace change predicted (2.85332e-08%) linmin: converged after 16 iterations. iteration 1697: trace = 2.393039450452045 (2.85261e-08% change) linmin: converged after 6 iterations. iteration 1698: trace = 2.393039450265314 (7.80309e-09% change) linmin: converged after 7 iterations. iteration 1699: trace = 2.393039449921884 (1.43512e-08% change) linmin: converged after 4 iterations. iteration 1700: trace = 2.393039449775002 (6.13787e-09% change) linmin: converged after 12 iterations. iteration 1701: trace = 2.393039449638505 (5.7039e-09% change) linmin: converged after 3 iterations. iteration 1702: trace = 2.393039449532193 (4.44258e-09% change) linmin: converged after 4 iterations. iteration 1703: trace = 2.393039449473548 (2.45063e-09% change) large trace change predicted (6.5718e-09%) linmin: converged after 6 iterations. iteration 1704: trace = 2.393039449316916 (6.54534e-09% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039449232301 (3.53584e-09% change) linmin: converged after 3 iterations. iteration 1706: trace = 2.393039449109216 (5.14346e-09% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039448870016 (9.99568e-09% change) linmin: converged after 5 iterations. iteration 1708: trace = 2.393039448784958 (3.55436e-09% change) large trace change predicted (1.22669e-08%) linmin: converged after 4 iterations. iteration 1709: trace = 2.39303944849109 (1.22801e-08% change) linmin: converged after 3 iterations. iteration 1710: trace = 2.393039448213335 (1.16068e-08% change) linmin: converged after 4 iterations. iteration 1711: trace = 2.393039448070876 (5.95305e-09% change) large trace change predicted (1.67228e-08%) linmin: converged after 15 iterations. iteration 1712: trace = 2.393039447670758 (1.67201e-08% change) linmin: converged after 8 iterations. iteration 1713: trace = 2.393039447560109 (4.62378e-09% change) large trace change predicted (1.78453e-08%) linmin: converged after 4 iterations. iteration 1714: trace = 2.39303944713308 (1.78447e-08% change) linmin: converged after 9 iterations. iteration 1715: trace = 2.393039446935062 (8.27475e-09% change) linmin: converged after 4 iterations. iteration 1716: trace = 2.393039446642102 (1.22422e-08% change) linmin: converged after 10 iterations. iteration 1717: trace = 2.393039446359064 (1.18276e-08% change) linmin: converged after 3 iterations. iteration 1718: trace = 2.393039446286803 (3.01963e-09% change) large trace change predicted (7.52314e-09%) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039446107193 (7.50552e-09% change) linmin: converged after 12 iterations. iteration 1720: trace = 2.393039446075387 (1.32909e-09% change) large trace change predicted (4.15695e-09%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039445975782 (4.16227e-09% change) linmin: converged after 3 iterations. iteration 1722: trace = 2.393039445953484 (9.31793e-10% change) large trace change predicted (2.28144e-09%) linmin: converged after 3 iterations. iteration 1723: trace = 2.393039445898906 (2.28072e-09% change) linmin: converged after 4 iterations. iteration 1724: trace = 2.393039445864279 (1.44697e-09% change) linmin: converged after 6 iterations. iteration 1725: trace = 2.393039445815468 (2.03971e-09% change) linmin: converged after 3 iterations. iteration 1726: trace = 2.39303944578284 (1.36344e-09% change) large trace change predicted (5.70781e-09%) linmin: converged after 3 iterations. iteration 1727: trace = 2.393039445646182 (5.71066e-09% change) linmin: converged after 3 iterations. iteration 1728: trace = 2.393039445598301 (2.00086e-09% change) large trace change predicted (6.80709e-09%) linmin: converged after 3 iterations. iteration 1729: trace = 2.393039445435487 (6.80364e-09% change) linmin: converged after 3 iterations. iteration 1730: trace = 2.39303944531831 (4.89657e-09% change) linmin: converged after 5 iterations. iteration 1731: trace = 2.393039445228778 (3.74135e-09% change) large trace change predicted (7.71732e-09%) linmin: converged after 3 iterations. iteration 1732: trace = 2.393039445044142 (7.71556e-09% change) linmin: converged after 3 iterations. iteration 1733: trace = 2.393039444971511 (3.03509e-09% change) linmin: converged after 3 iterations. iteration 1734: trace = 2.393039444840666 (5.46774e-09% change) linmin: converged after 3 iterations. iteration 1735: trace = 2.393039444714778 (5.2606e-09% change) linmin: converged after 3 iterations. iteration 1736: trace = 2.393039444675937 (1.62308e-09% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039444603462 (3.02859e-09% change) linmin: converged after 3 iterations. iteration 1738: trace = 2.393039444523325 (3.34873e-09% change) linmin: converged after 3 iterations. iteration 1739: trace = 2.393039444493621 (1.24128e-09% change) linmin: converged after 6 iterations. iteration 1740: trace = 2.393039444443883 (2.07844e-09% change) linmin: converged after 6 iterations. iteration 1741: trace = 2.393039444382688 (2.55719e-09% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.39303944436344 (8.04339e-10% change) linmin: converged after 3 iterations. iteration 1743: trace = 2.393039444345386 (7.54438e-10% change) linmin: converged after 3 iterations. iteration 1744: trace = 2.393039444310664 (1.45096e-09% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039444292932 (7.41003e-10% change) linmin: converged after 3 iterations. iteration 1746: trace = 2.393039444278023 (6.23014e-10% change) large trace change predicted (1.26916e-09%) linmin: converged after 3 iterations. iteration 1747: trace = 2.39303944424796 (1.25625e-09% change) linmin: converged after 3 iterations. iteration 1748: trace = 2.393039444228026 (8.33011e-10% change) linmin: converged after 5 iterations. iteration 1749: trace = 2.393039444218437 (4.00694e-10% change) resetting CG direction... large trace change predicted (9.52251e-10%) linmin: converged after 4 iterations. iteration 1750: trace = 2.393039444195666 (9.51556e-10% change) linmin: converged after 3 iterations. iteration 1751: trace = 2.393039444177546 (7.57185e-10% change) linmin: converged after 3 iterations. iteration 1752: trace = 2.393039444146321 (1.30484e-09% change) linmin: converged after 5 iterations. iteration 1753: trace = 2.39303944413465 (4.87692e-10% change) large trace change predicted (1.82599e-09%) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039444090912 (1.82775e-09% change) linmin: converged after 3 iterations. iteration 1755: trace = 2.393039444061502 (1.22897e-09% change) linmin: converged after 3 iterations. iteration 1756: trace = 2.393039444020474 (1.71446e-09% change) linmin: converged after 3 iterations. iteration 1757: trace = 2.393039443954934 (2.73878e-09% change) linmin: converged after 12 iterations. iteration 1758: trace = 2.393039443919599 (1.47657e-09% change) large trace change predicted (4.02759e-09%) linmin: converged after 3 iterations. iteration 1759: trace = 2.393039443823342 (4.0224e-09% change) linmin: converged after 10 iterations. iteration 1760: trace = 2.393039443738229 (3.55666e-09% change) linmin: converged after 4 iterations. iteration 1761: trace = 2.393039443622853 (4.8213e-09% change) large trace change predicted (9.66329e-09%) linmin: converged after 9 iterations. iteration 1762: trace = 2.393039443391864 (9.65256e-09% change) linmin: converged after 3 iterations. iteration 1763: trace = 2.393039443336197 (2.32621e-09% change) large trace change predicted (5.4175e-09%) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039443206546 (5.41785e-09% change) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039443122075 (3.52983e-09% change) linmin: converged after 3 iterations. iteration 1766: trace = 2.393039443038401 (3.49657e-09% change) large trace change predicted (7.6054e-09%) linmin: converged after 6 iterations. iteration 1767: trace = 2.393039442856517 (7.60054e-09% change) linmin: converged after 10 iterations. iteration 1768: trace = 2.3930394428069 (2.07338e-09% change) large trace change predicted (7.19913e-09%) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039442634707 (7.19561e-09% change) linmin: converged after 3 iterations. iteration 1770: trace = 2.393039442581494 (2.22366e-09% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039442523689 (2.41552e-09% change) linmin: converged after 3 iterations. iteration 1772: trace = 2.393039442439991 (3.49758e-09% change) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039442413424 (1.11017e-09% change) large trace change predicted (2.75507e-09%) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039442347044 (2.77389e-09% change) linmin: converged after 6 iterations. iteration 1775: trace = 2.393039442328087 (7.92166e-10% change) large trace change predicted (3.22877e-09%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039442250741 (3.23211e-09% change) linmin: converged after 6 iterations. iteration 1777: trace = 2.39303944221371 (1.54746e-09% change) large trace change predicted (3.34274e-09%) linmin: converged after 3 iterations. iteration 1778: trace = 2.393039442133237 (3.36279e-09% change) large trace change predicted (8.09184e-09%) linmin: converged after 17 iterations. iteration 1779: trace = 2.393039441939736 (8.08598e-09% change) linmin: converged after 3 iterations. iteration 1780: trace = 2.393039441833837 (4.42532e-09% change) large trace change predicted (1.34704e-08%) linmin: converged after 10 iterations. iteration 1781: trace = 2.393039441511344 (1.34763e-08% change) linmin: converged after 10 iterations. iteration 1782: trace = 2.393039441304755 (8.63291e-09% change) linmin: converged after 12 iterations. iteration 1783: trace = 2.39303944107243 (9.70839e-09% change) linmin: converged after 6 iterations. iteration 1784: trace = 2.393039440915222 (6.56939e-09% change) linmin: converged after 13 iterations. iteration 1785: trace = 2.393039440818795 (4.02947e-09% change) linmin: converged after 3 iterations. iteration 1786: trace = 2.393039440676874 (5.93056e-09% change) linmin: converged after 9 iterations. iteration 1787: trace = 2.393039440620795 (2.34343e-09% change) large trace change predicted (4.90466e-09%) linmin: converged after 3 iterations. iteration 1788: trace = 2.393039440503506 (4.90125e-09% change) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039440446732 (2.37247e-09% change) linmin: converged after 6 iterations. iteration 1790: trace = 2.393039440361032 (3.5812e-09% change) linmin: converged after 3 iterations. iteration 1791: trace = 2.393039440311737 (2.05996e-09% change) linmin: converged after 4 iterations. iteration 1792: trace = 2.393039440272974 (1.61979e-09% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039440199366 (3.07595e-09% change) linmin: converged after 12 iterations. iteration 1794: trace = 2.393039440165944 (1.3966e-09% change) large trace change predicted (3.70625e-09%) linmin: converged after 5 iterations. iteration 1795: trace = 2.393039440077674 (3.68864e-09% change) linmin: converged after 3 iterations. iteration 1796: trace = 2.393039440030697 (1.96307e-09% change) large trace change predicted (4.79803e-09%) linmin: converged after 10 iterations. iteration 1797: trace = 2.393039439915658 (4.80724e-09% change) linmin: converged after 12 iterations. iteration 1798: trace = 2.393039439814751 (4.21666e-09% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039439692446 (5.11086e-09% change) large trace change predicted (1.0631e-08%) linmin: converged after 3 iterations. iteration 1800: trace = 2.39303943943804 (1.06311e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039439290153 (6.17988e-09% change) large trace change predicted (1.93354e-08%) linmin: converged after 12 iterations. iteration 1802: trace = 2.393039438827166 (1.93472e-08% change) linmin: converged after 4 iterations. iteration 1803: trace = 2.393039438627755 (8.33295e-09% change) linmin: converged after 15 iterations. iteration 1804: trace = 2.393039438344062 (1.18549e-08% change) linmin: converged after 3 iterations. iteration 1805: trace = 2.393039438183445 (6.71183e-09% change) linmin: converged after 3 iterations. iteration 1806: trace = 2.393039438114115 (2.89717e-09% change) large trace change predicted (6.29463e-09%) linmin: converged after 6 iterations. iteration 1807: trace = 2.393039437963845 (6.27944e-09% change) linmin: converged after 5 iterations. iteration 1808: trace = 2.39303943791392 (2.08628e-09% change) linmin: converged after 5 iterations. iteration 1809: trace = 2.393039437874635 (1.64164e-09% change) linmin: converged after 3 iterations. iteration 1810: trace = 2.393039437823133 (2.15214e-09% change) linmin: converged after 9 iterations. iteration 1811: trace = 2.393039437792614 (1.27533e-09% change) large trace change predicted (5.16832e-09%) linmin: converged after 5 iterations. iteration 1812: trace = 2.393039437669096 (5.16156e-09% change) linmin: converged after 6 iterations. iteration 1813: trace = 2.393039437561806 (4.48341e-09% change) linmin: converged after 4 iterations. iteration 1814: trace = 2.393039437470394 (3.81992e-09% change) large trace change predicted (9.6568e-09%) linmin: converged after 3 iterations. iteration 1815: trace = 2.393039437239216 (9.66044e-09% change) linmin: converged after 3 iterations. iteration 1816: trace = 2.393039437195021 (1.84679e-09% change) large trace change predicted (8.05644e-09%) linmin: converged after 6 iterations. iteration 1817: trace = 2.393039437001947 (8.06815e-09% change) linmin: converged after 6 iterations. iteration 1818: trace = 2.393039436913043 (3.71511e-09% change) linmin: converged after 3 iterations. iteration 1819: trace = 2.393039436735796 (7.4068e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1820: trace = 2.393039436615087 (5.04416e-09% change) linmin: converged after 5 iterations. iteration 1821: trace = 2.393039436553057 (2.59212e-09% change) large trace change predicted (8.69087e-09%) linmin: converged after 6 iterations. iteration 1822: trace = 2.393039436344917 (8.69773e-09% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039436284367 (2.53023e-09% change) large trace change predicted (6.18035e-09%) linmin: converged after 3 iterations. iteration 1824: trace = 2.3930394361362 (6.19161e-09% change) linmin: converged after 6 iterations. iteration 1825: trace = 2.393039436018256 (4.92862e-09% change) linmin: converged after 6 iterations. iteration 1826: trace = 2.393039435969046 (2.05636e-09% change) linmin: converged after 3 iterations. iteration 1827: trace = 2.39303943588169 (3.65042e-09% change) linmin: converged after 4 iterations. iteration 1828: trace = 2.393039435842717 (1.62861e-09% change) linmin: converged after 3 iterations. iteration 1829: trace = 2.393039435813915 (1.20359e-09% change) linmin: converged after 5 iterations. iteration 1830: trace = 2.393039435779417 (1.44159e-09% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039435766638 (5.33993e-10% change) large trace change predicted (3.41338e-09%) linmin: converged after 3 iterations. iteration 1832: trace = 2.393039435684921 (3.41477e-09% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039435650287 (1.4473e-09% change) large trace change predicted (4.76432e-09%) linmin: converged after 3 iterations. iteration 1834: trace = 2.393039435536316 (4.76259e-09% change) linmin: converged after 3 iterations. iteration 1835: trace = 2.393039435396384 (5.84746e-09% change) linmin: converged after 4 iterations. iteration 1836: trace = 2.393039435335645 (2.53815e-09% change) large trace change predicted (1.09733e-08%) linmin: converged after 6 iterations. iteration 1837: trace = 2.393039435073163 (1.09686e-08% change) linmin: converged after 9 iterations. iteration 1838: trace = 2.393039434991662 (3.40577e-09% change) linmin: converged after 3 iterations. iteration 1839: trace = 2.39303943487383 (4.92393e-09% change) linmin: converged after 3 iterations. iteration 1840: trace = 2.393039434800345 (3.07079e-09% change) linmin: converged after 6 iterations. iteration 1841: trace = 2.393039434770315 (1.25488e-09% change) linmin: converged after 5 iterations. iteration 1842: trace = 2.393039434732226 (1.59168e-09% change) linmin: converged after 4 iterations. iteration 1843: trace = 2.393039434688152 (1.84176e-09% change) linmin: converged after 4 iterations. iteration 1844: trace = 2.39303943467836 (4.09175e-10% change) large trace change predicted (1.64274e-09%) linmin: converged after 4 iterations. iteration 1845: trace = 2.393039434638748 (1.65531e-09% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039434617966 (8.684e-10% change) linmin: converged after 4 iterations. iteration 1847: trace = 2.393039434606084 (4.96544e-10% change) large trace change predicted (1.08612e-09%) linmin: converged after 5 iterations. iteration 1848: trace = 2.393039434580546 (1.06717e-09% change) linmin: converged after 4 iterations. iteration 1849: trace = 2.393039434567339 (5.51883e-10% change) large trace change predicted (1.3046e-09%) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039434535825 (1.31694e-09% change) linmin: converged after 6 iterations. iteration 1851: trace = 2.393039434518744 (7.1376e-10% change) large trace change predicted (1.71326e-09%) linmin: converged after 3 iterations. iteration 1852: trace = 2.393039434477874 (1.70785e-09% change) linmin: converged after 6 iterations. iteration 1853: trace = 2.39303943445434 (9.83457e-10% change) large trace change predicted (2.34054e-09%) linmin: converged after 3 iterations. iteration 1854: trace = 2.393039434398526 (2.33237e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039434377281 (8.87756e-10% change) large trace change predicted (2.73964e-09%) linmin: converged after 3 iterations. iteration 1856: trace = 2.393039434312235 (2.71816e-09% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039434277281 (1.46063e-09% change) large trace change predicted (3.22141e-09%) linmin: converged after 7 iterations. iteration 1858: trace = 2.393039434199886 (3.23419e-09% change) linmin: converged after 6 iterations. iteration 1859: trace = 2.39303943417769 (9.27524e-10% change) large trace change predicted (3.00258e-09%) linmin: converged after 5 iterations. iteration 1860: trace = 2.393039434105628 (3.01129e-09% change) linmin: converged after 3 iterations. iteration 1861: trace = 2.3930394340861 (8.16049e-10% change) linmin: converged after 3 iterations. iteration 1862: trace = 2.39303943406486 (8.87551e-10% change) linmin: converged after 3 iterations. iteration 1863: trace = 2.393039434048505 (6.83474e-10% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039434038708 (4.09361e-10% change) linmin: converged after 5 iterations. iteration 1865: trace = 2.393039434030361 (3.48807e-10% change) linmin: converged after 5 iterations. iteration 1866: trace = 2.393039434022309 (3.36485e-10% change) linmin: converged after 3 iterations. iteration 1867: trace = 2.393039434012162 (4.2404e-10% change) linmin: converged after 6 iterations. iteration 1868: trace = 2.393039434003842 (3.47675e-10% change) linmin: converged after 3 iterations. iteration 1869: trace = 2.393039433988787 (6.29082e-10% change) linmin: converged after 6 iterations. iteration 1870: trace = 2.393039433978263 (4.39814e-10% change) linmin: converged after 5 iterations. iteration 1871: trace = 2.393039433957409 (8.71406e-10% change) linmin: converged after 4 iterations. iteration 1872: trace = 2.393039433943766 (5.70143e-10% change) linmin: converged after 3 iterations. iteration 1873: trace = 2.393039433923201 (8.59344e-10% change) linmin: converged after 3 iterations. iteration 1874: trace = 2.393039433893358 (1.24707e-09% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039433876588 (7.00788e-10% change) linmin: converged after 4 iterations. iteration 1876: trace = 2.393039433852826 (9.92995e-10% change) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039433838712 (5.89759e-10% change) large trace change predicted (1.2533e-09%) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039433808313 (1.27034e-09% change) linmin: converged after 3 iterations. iteration 1879: trace = 2.393039433794997 (5.56429e-10% change) large trace change predicted (1.19387e-09%) linmin: converged after 5 iterations. iteration 1880: trace = 2.393039433766649 (1.18462e-09% change) linmin: converged after 6 iterations. iteration 1881: trace = 2.393039433752501 (5.91206e-10% change) linmin: converged after 3 iterations. iteration 1882: trace = 2.393039433727414 (1.04833e-09% change) linmin: converged after 3 iterations. iteration 1883: trace = 2.393039433703695 (9.91177e-10% change) linmin: converged after 4 iterations. iteration 1884: trace = 2.39303943369355 (4.2391e-10% change) linmin: converged after 3 iterations. iteration 1885: trace = 2.393039433674987 (7.75705e-10% change) linmin: converged after 4 iterations. iteration 1886: trace = 2.393039433670693 (1.79433e-10% change) linmin: converged after 3 iterations. iteration 1887: trace = 2.393039433664913 (2.41545e-10% change) linmin: converged after 3 iterations. iteration 1888: trace = 2.393039433658601 (2.63758e-10% change) linmin: converged after 3 iterations. iteration 1889: trace = 2.393039433654001 (1.92256e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 12.512332677841187 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.4726064316793 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425743842929 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844417482463 (0.43222% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161848781773 (0.479383% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060275410308 (0.210061% change) linmin: converged after 8 iterations. iteration 6: trace = 2.423173496441477 (0.119061% change) linmin: converged after 6 iterations. iteration 7: trace = 2.421004974464662 (0.0895311% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230588502718 (0.0733182% change) linmin: converged after 5 iterations. iteration 9: trace = 2.418879966551738 (0.0144942% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217811138232 (0.0273782% change) linmin: converged after 4 iterations. iteration 11: trace = 2.41791661414678 (0.0124561% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553417119585 (0.0150222% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324392266428 (0.00947386% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053478147193 (0.0112078% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983339184622 (0.00290188% change) large trace change predicted (0.00610733%) linmin: converged after 3 iterations. iteration 16: trace = 2.41683413845168 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789893810626 (0.0018307% change) large trace change predicted (0.00505464%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666947212843 (0.00508732% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616681223286 (0.00207999% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550540418851 (0.00273695% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470727588368 (0.00330281% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391460051795 (0.00328036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340837484853 (0.00209499% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269502934743 (0.00295222% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222967868819 (0.00192592% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194248941607 (0.00118859% change) large trace change predicted (0.00530475%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065966449136 (0.00530942% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766155136 (0.00191223% change) large trace change predicted (0.00450147%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911185989398 (0.00449428% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826340151925 (0.00351202% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706050016934 (0.00497938% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628014634792 (0.00323039% change) large trace change predicted (0.0107004%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370536076258 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301752322894 (0.00284779% change) large trace change predicted (0.0088786%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087783883891 (0.00885926% change) linmin: converged after 4 iterations. iteration 36: trace = 2.41499630719488 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847790234521 (0.00614997% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719179207967 (0.00532599% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561279642779 (0.00653926% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484109960662 (0.00319606% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383085142223 (0.0041842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348660207591 (0.00142584% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292741164467 (0.00231614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262839432096 (0.00123854% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243275460592 (0.000810353% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221969413599 (0.000882518% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189342424333 (0.00135146% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175447826379 (0.000575541% change) large trace change predicted (0.00151726%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139131820406 (0.00150429% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108614772963 (0.0012641% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084439505118 (0.00100142% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051975715635 (0.00134478% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006541143371 (0.00188211% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987554951889 (0.000786504% change) large trace change predicted (0.00171873%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946350924714 (0.0017069% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918618368818 (0.00114885% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893179810757 (0.00105383% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859240154034 (0.00140602% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820611833855 (0.00160029% change) linmin: converged after 3 iterations. iteration 60: trace = 2.41379371660232 (0.00111422% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747556623282 (0.00191236% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717636611619 (0.00123957% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670772128531 (0.00194161% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608472937484 (0.00258113% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550361068726 (0.0024077% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476868707579 (0.00304504% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393443352889 (0.00345671% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361558952807 (0.00132115% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309206980998 (0.00216928% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292433617291 (0.000695038% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275725259813 (0.000692349% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247286264708 (0.00117845% change) linmin: converged after 5 iterations. iteration 73: trace = 2.413240949546879 (0.000262581% change) large trace change predicted (0.000686852%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224351266146 (0.000687803% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219298346457 (0.000209385% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214471341386 (0.000200024% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206821557941 (0.000316996% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202672014996 (0.000171952% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195507090028 (0.000296906% change) large trace change predicted (0.000675692%) linmin: converged after 3 iterations. iteration 80: trace = 2.413179123118357 (0.000678935% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174486119533 (0.000192153% change) large trace change predicted (0.000670701%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158287901495 (0.000671243% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137365157749 (0.000867031% change) linmin: converged after 4 iterations. iteration 84: trace = 2.41313205125692 (0.000220207% change) large trace change predicted (0.00137282%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098599305338 (0.00138626% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088249700511 (0.000428894% change) linmin: converged after 4 iterations. iteration 87: trace = 2.413069986749186 (0.000756832% change) linmin: converged after 5 iterations. iteration 88: trace = 2.413059110486709 (0.000450724% change) linmin: converged after 4 iterations. iteration 89: trace = 2.413054799908851 (0.000178636% change) large trace change predicted (0.000378474%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045656037611 (0.000378934% change) linmin: converged after 7 iterations. iteration 91: trace = 2.413029361528956 (0.00067527% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026310086575 (0.000126457% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009836157888 (0.000682711% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004932270046 (0.000203227% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000982549347 (0.000163685% change) large trace change predicted (0.000575076%) linmin: converged after 3 iterations. iteration 96: trace = 2.412987084441429 (0.000575969% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981962610885 (0.000212261% change) linmin: converged after 8 iterations. iteration 98: trace = 2.412974933898496 (0.000291288% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971633220663 (0.000136789% change) linmin: converged after 10 iterations. iteration 100: trace = 2.41296969963357 (8.01331e-05% change) large trace change predicted (0.000185934%) linmin: converged after 5 iterations. iteration 101: trace = 2.412965212817154 (0.000185946% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957829001476 (0.000306006% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955621846459 (9.1471e-05% change) large trace change predicted (0.000451406%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944779572966 (0.000449337% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939567470628 (0.000216006% change) large trace change predicted (0.000436625%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929065296473 (0.000435245% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912366097883 (0.000692074% change) linmin: converged after 4 iterations. iteration 108: trace = 2.41288272467351 (0.00122846% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866258143775 (0.000682445% change) large trace change predicted (0.0014041%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832868724427 (0.00138382% change) linmin: converged after 5 iterations. iteration 111: trace = 2.412826949669475 (0.000245316% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818867669138 (0.00033496% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807732728217 (0.000461492% change) linmin: converged after 4 iterations. iteration 114: trace = 2.412803749127395 (0.000165102% change) linmin: converged after 5 iterations. iteration 115: trace = 2.412797318292959 (0.00026653% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412796040493983 (5.29592e-05% change) large trace change predicted (0.000176609%) linmin: converged after 3 iterations. iteration 117: trace = 2.412791778982473 (0.000176621% change) linmin: converged after 6 iterations. iteration 118: trace = 2.412788945390335 (0.00011744% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787800517203 (4.74502e-05% change) large trace change predicted (0.00021539%) linmin: converged after 22 iterations. iteration 120: trace = 2.412782608800236 (0.000215175% change) linmin: converged after 4 iterations. iteration 121: trace = 2.412781603210585 (4.16776e-05% change) large trace change predicted (0.000159619%) linmin: converged after 5 iterations. iteration 122: trace = 2.412777756651581 (0.000159424% change) linmin: converged after 21 iterations. iteration 123: trace = 2.412776280560054 (6.11781e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.412774811197002 (6.08993e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773078731524 (7.18039e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 2.412772023610564 (4.37306e-05% change) large trace change predicted (0.000144159%) linmin: converged after 4 iterations. iteration 127: trace = 2.412768545458258 (0.000144156% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764329648909 (0.000174729% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762690065943 (6.79546e-05% change) large trace change predicted (0.00022691%) linmin: converged after 6 iterations. iteration 130: trace = 2.412757221377979 (0.000226657% change) linmin: converged after 5 iterations. iteration 131: trace = 2.412750327851664 (0.000285712% change) linmin: converged after 4 iterations. iteration 132: trace = 2.412744959840375 (0.000222485% change) large trace change predicted (0.000506633%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732720642922 (0.000507274% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730954631478 (7.31955e-05% change) large trace change predicted (0.000324304%) linmin: converged after 4 iterations. iteration 135: trace = 2.412723121123227 (0.000324674% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721615473608 (6.24046e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719153146647 (0.000102056% change) linmin: converged after 4 iterations. iteration 138: trace = 2.412714752145698 (0.000182409% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714235129618 (2.14288e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713784754152 (1.86668e-05% change) large trace change predicted (6.16167e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.41271229751497 (6.16418e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711741099932 (2.30618e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.412711423071571 (1.31814e-05% change) large trace change predicted (3.65187e-05%) linmin: converged after 5 iterations. iteration 144: trace = 2.412710541789183 (3.65266e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412709985002305 (2.30772e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709329303678 (2.71769e-05% change) large trace change predicted (5.48992e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.412708003504688 (5.49506e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707723343185 (1.16119e-05% change) large trace change predicted (2.45696e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.412707130431694 (2.45745e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706104507434 (4.25217e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.41270578257981 (1.3343e-05% change) large trace change predicted (4.36018e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704729568492 (4.36444e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.412704027168191 (2.91126e-05% change) linmin: converged after 5 iterations. iteration 154: trace = 2.412703564676231 (1.9169e-05% change) large trace change predicted (3.84611e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702635974135 (3.84922e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701345066634 (5.35046e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700860504454 (2.00838e-05% change) large trace change predicted (5.76405e-05%) linmin: converged after 3 iterations. iteration 158: trace = 2.412699467770541 (5.77251e-05% change) linmin: converged after 9 iterations. iteration 159: trace = 2.412698212583795 (5.20242e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697418810282 (3.28998e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.41269628746893 (4.68912e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695386092381 (3.73597e-05% change) linmin: converged after 16 iterations. iteration 163: trace = 2.412694301606301 (4.49492e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693066959875 (5.11729e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692869673331 (8.17703e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692596909532 (1.13054e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.412692065814359 (2.20126e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691967952765 (4.05612e-06% change) large trace change predicted (1.25534e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691664903453 (1.25606e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.41269151882399 (6.05463e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691323497366 (8.0958e-06% change) linmin: converged after 4 iterations. iteration 172: trace = 2.412691061031412 (1.08786e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690852587638 (8.63947e-06% change) large trace change predicted (1.90433e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690393063385 (1.90461e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689480174599 (3.7837e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.412689257332663 (9.23625e-06% change) large trace change predicted (2.93612e-05%) linmin: converged after 4 iterations. iteration 177: trace = 2.412688548625352 (2.93742e-05% change) linmin: converged after 7 iterations. iteration 178: trace = 2.412688113949724 (1.80162e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687759144954 (1.47058e-05% change) large trace change predicted (6.13178e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686278666822 (6.13622e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.412685892468328 (1.6007e-05% change) large trace change predicted (4.40884e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684828285347 (4.41078e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683959661672 (3.60024e-05% change) linmin: converged after 16 iterations. iteration 184: trace = 2.41268362907374 (1.37021e-05% change) large trace change predicted (2.87517e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682934717816 (2.87794e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.412682227654077 (2.93061e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412682000830988 (9.40128e-06% change) large trace change predicted (2.73337e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.412681341333945 (2.73346e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.412681249453636 (3.80822e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681126250548 (5.10648e-06% change) large trace change predicted (1.11581e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.412680857010287 (1.11594e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680817362095 (1.64333e-06% change) large trace change predicted (1.20263e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.412680527223247 (1.20256e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.412680393907443 (5.52563e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680280417886 (4.70388e-06% change) large trace change predicted (1.80685e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.412679844581648 (1.80644e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.412679498525944 (1.43432e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679148816449 (1.44947e-05% change) large trace change predicted (6.21807e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677648108339 (6.22009e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.412677368423382 (1.15923e-05% change) large trace change predicted (5.13172e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676129895467 (5.13342e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.412675255324041 (3.6249e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.412674857623696 (1.64838e-05% change) large trace change predicted (5.07416e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673633269721 (5.07468e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673233810707 (1.65567e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.412672620441537 (2.54228e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.41267212468961 (2.05478e-05% change) linmin: converged after 15 iterations. iteration 208: trace = 2.412671819520183 (1.26486e-05% change) large trace change predicted (3.39637e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.412671000128994 (3.3962e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670635038857 (1.51322e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670523083993 (4.64029e-06% change) large trace change predicted (1.04515e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670271047332 (1.04464e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670053721547 (9.00769e-06% change) linmin: converged after 5 iterations. iteration 214: trace = 2.412669936754242 (4.84804e-06% change) large trace change predicted (1.68391e-05%) linmin: converged after 4 iterations. iteration 215: trace = 2.412669530553186 (1.68362e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.412669438237494 (3.82629e-06% change) large trace change predicted (9.47496e-06%) linmin: converged after 3 iterations. iteration 217: trace = 2.412669209609661 (9.47614e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668914756718 (1.2221e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668820510233 (3.90632e-06% change) large trace change predicted (1.25473e-05%) linmin: converged after 23 iterations. iteration 220: trace = 2.412668517790209 (1.25471e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668212066454 (1.26716e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668105349921 (4.42317e-06% change) large trace change predicted (9.06687e-06%) linmin: converged after 4 iterations. iteration 223: trace = 2.412667886535738 (9.06939e-06% change) linmin: converged after 3 iterations. iteration 224: trace = 2.412667551571672 (1.38836e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.412667418317509 (5.52311e-06% change) large trace change predicted (1.77248e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666990673851 (1.77249e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666776970278 (8.85757e-06% change) linmin: converged after 5 iterations. iteration 228: trace = 2.412666431262663 (1.43289e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.412666125812491 (1.26603e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.412665851676855 (1.13624e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.412665377691057 (1.96457e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.412664779517022 (2.47931e-05% change) linmin: converged after 19 iterations. iteration 233: trace = 2.412664678921302 (4.16949e-06% change) large trace change predicted (8.35371e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664477366697 (8.35403e-06% change) linmin: converged after 17 iterations. iteration 235: trace = 2.412664310952648 (6.89752e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.412664249100853 (2.56363e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664165169105 (3.4788e-06% change) linmin: converged after 13 iterations. iteration 238: trace = 2.412664016321722 (6.16942e-06% change) linmin: converged after 13 iterations. iteration 239: trace = 2.412663996352473 (8.27685e-07% change) large trace change predicted (4.26442e-06%) linmin: converged after 4 iterations. iteration 240: trace = 2.41266389347136 (4.26421e-06% change) linmin: converged after 5 iterations. iteration 241: trace = 2.412663778283752 (4.77429e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.412663722755496 (2.30153e-06% change) large trace change predicted (1.0114e-05%) linmin: converged after 7 iterations. iteration 243: trace = 2.412663478869021 (1.01086e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.41266317212621 (1.27139e-05% change) linmin: converged after 6 iterations. iteration 245: trace = 2.41266297506366 (8.16784e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.41266271685295 (1.07023e-05% change) linmin: converged after 5 iterations. iteration 247: trace = 2.412662461733278 (1.05742e-05% change) linmin: converged after 18 iterations. iteration 248: trace = 2.412662228422914 (9.67025e-06% change) linmin: converged after 4 iterations. iteration 249: trace = 2.412661773182021 (1.88688e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.412661637750159 (5.61338e-06% change) large trace change predicted (2.26682e-05%) linmin: converged after 24 iterations. iteration 251: trace = 2.412661091485077 (2.26416e-05% change) linmin: converged after 7 iterations. iteration 252: trace = 2.412660438716966 (2.70559e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.412660310164648 (5.32824e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.412660085800419 (9.29945e-06% change) linmin: converged after 4 iterations. iteration 255: trace = 2.412659729610447 (1.47634e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.412659683191008 (1.92399e-06% change) large trace change predicted (1.0624e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659426946115 (1.06208e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.412659371642552 (2.29222e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659310609675 (2.52969e-06% change) large trace change predicted (5.13713e-06%) linmin: converged after 5 iterations. iteration 260: trace = 2.412659186680136 (5.13664e-06% change) linmin: converged after 12 iterations. iteration 261: trace = 2.412659125243518 (2.54643e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659033305007 (3.81067e-06% change) large trace change predicted (9.87101e-06%) linmin: converged after 5 iterations. iteration 263: trace = 2.412658795202499 (9.86888e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658738680189 (2.34274e-06% change) large trace change predicted (8.80589e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658526220048 (8.80606e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.412658132254595 (1.63291e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412658017236789 (4.76727e-06% change) large trace change predicted (3.84844e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.412657088640636 (3.84885e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656325874492 (3.16152e-05% change) linmin: converged after 10 iterations. iteration 270: trace = 2.412655894103643 (1.78961e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655342648407 (2.28568e-05% change) linmin: converged after 7 iterations. iteration 272: trace = 2.412654787288747 (2.30186e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654510433383 (1.14751e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654095695024 (1.71901e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.412653995943947 (4.1345e-06% change) large trace change predicted (1.38231e-05%) linmin: converged after 2 iterations. iteration 276: trace = 2.412653662440402 (1.38231e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.412653369848869 (1.21274e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.412653158593952 (8.75612e-06% change) large trace change predicted (1.76163e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652733207408 (1.76315e-05% change) resetting CG direction... linmin: converged after 14 iterations. iteration 280: trace = 2.41265247281537 (1.07928e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382530291 (3.74215e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.412652272545112 (4.55868e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.412652153279442 (4.94334e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.412652069064122 (3.49057e-06% change) large trace change predicted (7.44781e-06%) linmin: converged after 3 iterations. iteration 285: trace = 2.412651889353411 (7.44868e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.412651807950601 (3.374e-06% change) large trace change predicted (8.55983e-06%) linmin: converged after 5 iterations. iteration 287: trace = 2.412651601399093 (8.56118e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.41265134776607 (1.05126e-05% change) linmin: converged after 6 iterations. iteration 289: trace = 2.412651210576856 (5.68624e-06% change) large trace change predicted (2.11423e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650700452094 (2.11437e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.412650186182307 (2.13156e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.412650005642272 (7.48306e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.41264964732795 (1.48515e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649281319745 (1.51704e-05% change) linmin: converged after 23 iterations. iteration 295: trace = 2.412649107305584 (7.21258e-06% change) large trace change predicted (1.4932e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648746990333 (1.49344e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.41264861779442 (5.35494e-06% change) linmin: converged after 7 iterations. iteration 298: trace = 2.4126484945826 (5.10691e-06% change) linmin: converged after 17 iterations. iteration 299: trace = 2.412648328066993 (6.90178e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.412648230735793 (4.03421e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648147144485 (3.46471e-06% change) large trace change predicted (7.7728e-06%) linmin: converged after 3 iterations. iteration 302: trace = 2.412647959596917 (7.77352e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.412647933716113 (1.07271e-06% change) large trace change predicted (6.04568e-06%) linmin: converged after 4 iterations. iteration 304: trace = 2.412647787829529 (6.04674e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647721862858 (2.7342e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.412647698379908 (9.73327e-07% change) large trace change predicted (5.64425e-06%) linmin: converged after 3 iterations. iteration 307: trace = 2.412647562163547 (5.64593e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647475723582 (3.58278e-06% change) linmin: converged after 4 iterations. iteration 309: trace = 2.412647438026662 (1.56247e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.41264738609407 (2.15251e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.412647290849673 (3.94771e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.412647253081221 (1.56544e-06% change) large trace change predicted (7.42294e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647073914257 (7.42616e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646885328721 (7.81654e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.412646663343649 (9.20089e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.412646318151616 (1.43076e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646214127668 (4.31161e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646067344193 (6.08392e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.41264583575738 (9.59887e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.412645804224127 (1.307e-06% change) large trace change predicted (7.61745e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.412645620375904 (7.62019e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.41264552950055 (3.76663e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645495391833 (1.41375e-06% change) large trace change predicted (3.06828e-06%) linmin: converged after 3 iterations. iteration 324: trace = 2.412645421363155 (3.06836e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.412645342340803 (3.27534e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.41264532264753 (8.16252e-07% change) large trace change predicted (4.32694e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645218238689 (4.32757e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.412645185232851 (1.36804e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645152284258 (1.36566e-06% change) linmin: converged after 13 iterations. iteration 330: trace = 2.412645099922987 (2.17028e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.412645076791193 (9.58773e-07% change) large trace change predicted (2.98895e-06%) linmin: converged after 4 iterations. iteration 332: trace = 2.412645004685459 (2.98866e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644884110045 (4.99764e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.412644834105687 (2.0726e-06% change) large trace change predicted (6.6527e-06%) linmin: converged after 3 iterations. iteration 335: trace = 2.412644673589769 (6.65311e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41264452848114 (6.0145e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.41264445678108 (2.97185e-06% change) large trace change predicted (1.39576e-05%) linmin: converged after 3 iterations. iteration 338: trace = 2.4126441200145 (1.39584e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643800907788 (1.32264e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643706491794 (3.91338e-06% change) large trace change predicted (8.6777e-06%) linmin: converged after 3 iterations. iteration 341: trace = 2.412643497094058 (8.67918e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.412643395308863 (4.21882e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643322490218 (3.01821e-06% change) large trace change predicted (6.51432e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.412643165327341 (6.51414e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643147370928 (7.44263e-07% change) large trace change predicted (2.9329e-06%) linmin: converged after 4 iterations. iteration 346: trace = 2.412643076620209 (2.9325e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.412643019204381 (2.37979e-06% change) linmin: converged after 6 iterations. iteration 348: trace = 2.412643001179429 (7.47104e-07% change) large trace change predicted (3.47784e-06%) linmin: converged after 14 iterations. iteration 349: trace = 2.412642917281606 (3.47742e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642860814064 (2.34048e-06% change) linmin: converged after 4 iterations. iteration 351: trace = 2.4126428466326 (5.87798e-07% change) large trace change predicted (1.85754e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642801821691 (1.85734e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.412642759873036 (1.7387e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642745167841 (6.09506e-07% change) large trace change predicted (4.8191e-06%) linmin: converged after 14 iterations. iteration 355: trace = 2.412642628896069 (4.81927e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642590783856 (1.57969e-06% change) large trace change predicted (4.07934e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.412642492332208 (4.08066e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642373403223 (4.92941e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642326373659 (1.9493e-06% change) large trace change predicted (8.97879e-06%) linmin: converged after 4 iterations. iteration 360: trace = 2.412642109757285 (8.97839e-06% change) linmin: converged after 17 iterations. iteration 361: trace = 2.412641927747216 (7.54401e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.412641826412623 (4.20015e-06% change) linmin: converged after 6 iterations. iteration 363: trace = 2.412641665571785 (6.66659e-06% change) linmin: converged after 5 iterations. iteration 364: trace = 2.412641550509427 (4.76914e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.412641493264817 (2.37269e-06% change) large trace change predicted (4.75837e-06%) linmin: converged after 24 iterations. iteration 366: trace = 2.412641378467331 (4.75817e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.412641347494812 (1.28376e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.412641300585301 (1.94432e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.412641258766916 (1.7333e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641211920094 (1.94172e-06% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641198268954 (5.65817e-07% change) large trace change predicted (2.9775e-06%) linmin: converged after 4 iterations. iteration 372: trace = 2.412641126436468 (2.97734e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412641114033097 (5.14099e-07% change) large trace change predicted (2.09934e-06%) linmin: converged after 22 iterations. iteration 374: trace = 2.412641063385723 (2.09925e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.41264102127427 (1.74545e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412640986664866 (1.4345e-06% change) linmin: converged after 14 iterations. iteration 377: trace = 2.412640955207891 (1.30384e-06% change) large trace change predicted (3.37431e-06%) linmin: converged after 3 iterations. iteration 378: trace = 2.412640873816279 (3.37355e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.41264085548483 (7.59808e-07% change) large trace change predicted (3.97488e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.412640759608501 (3.97392e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640671475462 (3.65297e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640608200674 (2.62264e-06% change) large trace change predicted (8.67062e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.41264039919422 (8.66298e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.41264019909772 (8.29367e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640128006184 (2.94663e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001639197 (5.23771e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412639924331287 (3.20429e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.412639886110255 (1.5842e-06% change) large trace change predicted (3.84595e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639793340888 (3.84514e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.412639747643779 (1.89407e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639707895823 (1.64749e-06% change) linmin: converged after 5 iterations. iteration 392: trace = 2.4126396322545 (3.13521e-06% change) linmin: converged after 11 iterations. iteration 393: trace = 2.412639615539385 (6.92814e-07% change) large trace change predicted (1.57425e-06%) linmin: converged after 5 iterations. iteration 394: trace = 2.412639577561713 (1.57411e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520283287 (2.3741e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.412639510882351 (3.89654e-07% change) large trace change predicted (3.27357e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.412639431909297 (3.27331e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.412639406681856 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.412639373387683 (1.37999e-06% change) large trace change predicted (2.78365e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.41263930622236 (2.78389e-06% change) linmin: converged after 3 iterations. iteration 401: trace = 2.41263926222349 (1.82368e-06% change) linmin: converged after 8 iterations. iteration 402: trace = 2.412639206480723 (2.31045e-06% change) large trace change predicted (5.86802e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639064897671 (5.86839e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.412639033928283 (1.28363e-06% change) large trace change predicted (1.07094e-05%) linmin: converged after 3 iterations. iteration 405: trace = 2.41263877556923 (1.07086e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.412638628753053 (6.08529e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638525914129 (4.26251e-06% change) large trace change predicted (1.13211e-05%) linmin: converged after 4 iterations. iteration 408: trace = 2.412638252752962 (1.13221e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638016072187 (9.81004e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637947765857 (2.83119e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637835896647 (4.6368e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.412637777611123 (2.41584e-06% change) linmin: converged after 5 iterations. iteration 413: trace = 2.412637743025151 (1.43353e-06% change) large trace change predicted (2.96883e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.412637671396636 (2.96889e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.412637652685788 (7.75535e-07% change) large trace change predicted (1.67606e-06%) linmin: converged after 2 iterations. iteration 416: trace = 2.412637612247869 (1.67609e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.412637561461501 (2.10501e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.412637538178108 (9.6506e-07% change) large trace change predicted (2.09449e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.412637487645316 (2.0945e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.412637441782021 (1.90096e-06% change) linmin: converged after 19 iterations. iteration 421: trace = 2.41263742207711 (8.16737e-07% change) large trace change predicted (1.83148e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.412637377890678 (1.83146e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.412637336676159 (1.70828e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.4126373204275 (6.73481e-07% change) large trace change predicted (2.60235e-06%) linmin: converged after 2 iterations. iteration 425: trace = 2.412637257641774 (2.60237e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.412637215579251 (1.74343e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.412637178234246 (1.54789e-06% change) large trace change predicted (3.8197e-06%) linmin: converged after 4 iterations. iteration 428: trace = 2.412637086076163 (3.81981e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.412637012246496 (3.06012e-06% change) large trace change predicted (6.57945e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.41263685350838 (6.57944e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636622479167 (9.5758e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.412636555197012 (2.78874e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.412636466973223 (3.65674e-06% change) large trace change predicted (7.39679e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.412636288454161 (7.39934e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.41263626488539 (9.76889e-07% change) large trace change predicted (3.91073e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.4126361705212 (3.91125e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636134789171 (1.48104e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.412636110007766 (1.02715e-06% change) linmin: converged after 9 iterations. iteration 439: trace = 2.412636071751146 (1.58568e-06% change) linmin: converged after 31 iterations. iteration 440: trace = 2.412636039109053 (1.35296e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.412636027007419 (5.01594e-07% change) large trace change predicted (1.92849e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.412635980474882 (1.9287e-06% change) linmin: converged after 18 iterations. iteration 443: trace = 2.412635969967932 (4.35497e-07% change) linmin: converged after 22 iterations. iteration 444: trace = 2.412635953132072 (6.9782e-07% change) large trace change predicted (1.71894e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.412635911653299 (1.71923e-06% change) linmin: converged after 6 iterations. iteration 446: trace = 2.412635887970593 (9.81611e-07% change) linmin: converged after 3 iterations. iteration 447: trace = 2.412635853330581 (1.43577e-06% change) linmin: converged after 28 iterations. iteration 448: trace = 2.412635819218591 (1.41389e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.41263579128726 (1.15771e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.412635767594516 (9.82027e-07% change) large trace change predicted (2.44905e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.412635708495891 (2.44955e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.412635681818879 (1.10572e-06% change) large trace change predicted (2.96295e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635610308005 (2.96401e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635491501598 (4.92434e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.412635469435086 (9.14623e-07% change) large trace change predicted (5.20183e-06%) linmin: converged after 3 iterations. iteration 456: trace = 2.412635343835833 (5.20589e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635286484016 (2.37714e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635269603972 (6.99652e-07% change) large trace change predicted (3.02647e-06%) linmin: converged after 5 iterations. iteration 459: trace = 2.412635196560519 (3.02754e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635172238826 (1.0081e-06% change) linmin: converged after 8 iterations. iteration 461: trace = 2.412635154385368 (7.39998e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.412635131292329 (9.57171e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635108744785 (9.34561e-07% change) linmin: converged after 16 iterations. iteration 464: trace = 2.412635101743762 (2.90182e-07% change) large trace change predicted (1.16654e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.412635073596187 (1.16667e-06% change) linmin: converged after 4 iterations. iteration 466: trace = 2.412635058993712 (6.0525e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.412635037158811 (9.05023e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.412635024141069 (5.39565e-07% change) linmin: converged after 30 iterations. iteration 469: trace = 2.412635008142534 (6.63115e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634984460535 (9.81582e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634956935237 (1.14088e-06% change) linmin: converged after 10 iterations. iteration 472: trace = 2.412634944192459 (5.28169e-07% change) large trace change predicted (1.28668e-06%) linmin: converged after 3 iterations. iteration 473: trace = 2.412634913153267 (1.28653e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.412634869708619 (1.80071e-06% change) linmin: converged after 21 iterations. iteration 475: trace = 2.412634848068069 (8.96967e-07% change) large trace change predicted (3.46409e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.412634764505052 (3.46356e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.41263471036239 (2.24413e-06% change) linmin: converged after 10 iterations. iteration 478: trace = 2.412634635393895 (3.10733e-06% change) linmin: converged after 7 iterations. iteration 479: trace = 2.412634534860379 (4.16696e-06% change) linmin: converged after 7 iterations. iteration 480: trace = 2.412634518482655 (6.78832e-07% change) large trace change predicted (1.83934e-06%) linmin: converged after 3 iterations. iteration 481: trace = 2.412634474106985 (1.8393e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.412634420821758 (2.20859e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.412634409981919 (4.49295e-07% change) large trace change predicted (1.56518e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.412634372224826 (1.56497e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.412634355634417 (6.87647e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.41263434750079 (3.37126e-07% change) linmin: converged after 22 iterations. iteration 487: trace = 2.412634334340625 (5.45469e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.412634316078156 (7.56951e-07% change) linmin: converged after 2 iterations. iteration 489: trace = 2.412634307525388 (3.54499e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634299596417 (3.28644e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.412634285055379 (6.02704e-07% change) linmin: converged after 2 iterations. iteration 492: trace = 2.412634272558073 (5.17994e-07% change) linmin: converged after 7 iterations. iteration 493: trace = 2.412634264646269 (3.27932e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634250370039 (5.91728e-07% change) large trace change predicted (1.31076e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.412634218743278 (1.31088e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.412634203988838 (6.11549e-07% change) large trace change predicted (1.8689e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.412634158897655 (1.86896e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.412634138054461 (8.63919e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634110026821 (1.1617e-06% change) large trace change predicted (3.199e-06%) linmin: converged after 25 iterations. iteration 500: trace = 2.412634032844641 (3.19908e-06% change) linmin: converged after 7 iterations. iteration 501: trace = 2.412634006520998 (1.09107e-06% change) large trace change predicted (2.95013e-06%) linmin: converged after 3 iterations. iteration 502: trace = 2.412633935348479 (2.94999e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633879619551 (2.30988e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.412633860587332 (7.88856e-07% change) linmin: converged after 5 iterations. iteration 505: trace = 2.412633825955091 (1.43545e-06% change) linmin: converged after 4 iterations. iteration 506: trace = 2.41263379510816 (1.27856e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.412633788364843 (2.795e-07% change) large trace change predicted (1.04193e-06%) linmin: converged after 3 iterations. iteration 508: trace = 2.412633763225779 (1.04198e-06% change) linmin: converged after 11 iterations. iteration 509: trace = 2.412633748457454 (6.12125e-07% change) linmin: converged after 7 iterations. iteration 510: trace = 2.412633739660458 (3.64622e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.412633727964045 (4.84799e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.412633706215134 (9.01459e-07% change) linmin: converged after 36 iterations. iteration 513: trace = 2.412633701674881 (1.88187e-07% change) large trace change predicted (7.90887e-07%) linmin: converged after 3 iterations. iteration 514: trace = 2.4126336825949 (7.90836e-07% change) linmin: converged after 26 iterations. iteration 515: trace = 2.412633671110867 (4.75996e-07% change) linmin: converged after 3 iterations. iteration 516: trace = 2.412633664300462 (2.82281e-07% change) large trace change predicted (8.04113e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633644902835 (8.04002e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.41263361871153 (1.08559e-06% change) linmin: converged after 18 iterations. iteration 519: trace = 2.412633612469993 (2.58702e-07% change) large trace change predicted (1.85648e-06%) linmin: converged after 16 iterations. iteration 520: trace = 2.412633567691794 (1.85599e-06% change) linmin: converged after 18 iterations. iteration 521: trace = 2.412633547023186 (8.56682e-07% change) linmin: converged after 30 iterations. iteration 522: trace = 2.41263352762141 (8.04174e-07% change) large trace change predicted (3.66672e-06%) linmin: converged after 4 iterations. iteration 523: trace = 2.41263343922431 (3.66393e-06% change) linmin: converged after 18 iterations. iteration 524: trace = 2.412633425038576 (5.87977e-07% change) large trace change predicted (3.21106e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347607506 (3.2094e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633293989531 (2.22238e-06% change) linmin: converged after 17 iterations. iteration 527: trace = 2.412633282814469 (4.63189e-07% change) large trace change predicted (1.38646e-06%) linmin: converged after 3 iterations. iteration 528: trace = 2.412633249369911 (1.38623e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.412633226182503 (9.61083e-07% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633217772954 (3.48563e-07% change) large trace change predicted (9.1847e-07%) linmin: converged after 3 iterations. iteration 531: trace = 2.412633195615594 (9.18389e-07% change) linmin: converged after 5 iterations. iteration 532: trace = 2.412633181151997 (5.99494e-07% change) linmin: converged after 3 iterations. iteration 533: trace = 2.412633163842421 (7.17456e-07% change) linmin: converged after 4 iterations. iteration 534: trace = 2.412633149836604 (5.8052e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.412633137535378 (5.09867e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.412633126023987 (4.7713e-07% change) large trace change predicted (1.09721e-06%) linmin: converged after 24 iterations. iteration 537: trace = 2.412633099552856 (1.09719e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.412633094260564 (2.19357e-07% change) large trace change predicted (8.15543e-07%) linmin: converged after 25 iterations. iteration 539: trace = 2.412633074585623 (8.15497e-07% change) linmin: converged after 17 iterations. iteration 540: trace = 2.412633055894965 (7.747e-07% change) linmin: converged after 14 iterations. iteration 541: trace = 2.412633047168399 (3.61703e-07% change) large trace change predicted (1.03022e-06%) linmin: converged after 6 iterations. iteration 542: trace = 2.412633022313367 (1.0302e-06% change) linmin: converged after 2 iterations. iteration 543: trace = 2.412632985204466 (1.53811e-06% change) linmin: converged after 5 iterations. iteration 544: trace = 2.412632972386088 (5.31302e-07% change) large trace change predicted (3.16438e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.412632896032461 (3.16474e-06% change) linmin: converged after 5 iterations. iteration 546: trace = 2.412632864620243 (1.30199e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632827819871 (1.52532e-06% change) large trace change predicted (5.18407e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.412632702723378 (5.18506e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.412632661512463 (1.70813e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.412632606275865 (2.28947e-06% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632569454538 (1.52619e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559393794 (4.17003e-07% change) large trace change predicted (9.9684e-07%) linmin: converged after 3 iterations. iteration 553: trace = 2.41263253534433 (9.96814e-07% change) linmin: converged after 8 iterations. iteration 554: trace = 2.412632516134743 (7.96209e-07% change) linmin: converged after 5 iterations. iteration 555: trace = 2.412632508945961 (2.97964e-07% change) linmin: converged after 17 iterations. iteration 556: trace = 2.412632496437547 (5.18455e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.412632479828672 (6.88413e-07% change) linmin: converged after 5 iterations. iteration 558: trace = 2.412632470882901 (3.70789e-07% change) large trace change predicted (8.7377e-07%) linmin: converged after 3 iterations. iteration 559: trace = 2.412632449802999 (8.7373e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.412632430509535 (7.99685e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.412632425070163 (2.25454e-07% change) large trace change predicted (7.81561e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.412632406214601 (7.81535e-07% change) linmin: converged after 4 iterations. iteration 563: trace = 2.412632395050036 (4.62755e-07% change) linmin: converged after 6 iterations. iteration 564: trace = 2.412632387292498 (3.21538e-07% change) large trace change predicted (7.00258e-07%) linmin: converged after 6 iterations. iteration 565: trace = 2.412632370398085 (7.00248e-07% change) linmin: converged after 23 iterations. iteration 566: trace = 2.412632355180013 (6.30766e-07% change) linmin: converged after 6 iterations. iteration 567: trace = 2.41263234258419 (5.22078e-07% change) large trace change predicted (1.44304e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.412632307769536 (1.44302e-06% change) linmin: converged after 28 iterations. iteration 569: trace = 2.412632297714972 (4.16747e-07% change) large trace change predicted (2.7581e-06%) linmin: converged after 6 iterations. iteration 570: trace = 2.412632231175007 (2.75798e-06% change) linmin: converged after 11 iterations. iteration 571: trace = 2.412632161979124 (2.86807e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632133637415 (1.17472e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.412632096635164 (1.53369e-06% change) linmin: converged after 27 iterations. iteration 574: trace = 2.412632043412803 (2.20599e-06% change) linmin: converged after 2 iterations. iteration 575: trace = 2.412632027974648 (6.39888e-07% change) linmin: converged after 4 iterations. iteration 576: trace = 2.412631999289264 (1.18897e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.41263199293719 (2.63284e-07% change) large trace change predicted (6.56123e-07%) linmin: converged after 14 iterations. iteration 578: trace = 2.412631977106666 (6.56152e-07% change) linmin: converged after 3 iterations. iteration 579: trace = 2.412631964825822 (5.09023e-07% change) linmin: converged after 12 iterations. iteration 580: trace = 2.412631950558348 (5.91366e-07% change) linmin: converged after 3 iterations. iteration 581: trace = 2.412631948001017 (1.05998e-07% change) large trace change predicted (6.36046e-07%) linmin: converged after 13 iterations. iteration 582: trace = 2.412631932654924 (6.36073e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.412631929921282 (1.13305e-07% change) large trace change predicted (2.48552e-07%) linmin: converged after 5 iterations. iteration 584: trace = 2.412631923924131 (2.48573e-07% change) large trace change predicted (6.35569e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.412631908588614 (6.35634e-07% change) linmin: converged after 23 iterations. iteration 586: trace = 2.412631906019616 (1.06481e-07% change) large trace change predicted (7.43488e-07%) linmin: converged after 4 iterations. iteration 587: trace = 2.412631888077842 (7.4366e-07% change) linmin: converged after 30 iterations. iteration 588: trace = 2.412631878688956 (3.89155e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631872146539 (2.71173e-07% change) large trace change predicted (5.9415e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631857810525 (5.94206e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.412631832086421 (1.06623e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631818296104 (5.71588e-07% change) linmin: converged after 6 iterations. iteration 593: trace = 2.412631797655271 (8.55532e-07% change) large trace change predicted (1.7394e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.412631755675351 (1.74001e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263174662151 (3.75268e-07% change) large trace change predicted (1.16874e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631718420116 (1.16891e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.412631683794476 (1.43518e-06% change) linmin: converged after 2 iterations. iteration 598: trace = 2.412631678633707 (2.13906e-07% change) large trace change predicted (1.15281e-06%) linmin: converged after 4 iterations. iteration 599: trace = 2.412631650812322 (1.15316e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631647766944 (1.26226e-07% change) large trace change predicted (5.54604e-07%) linmin: converged after 4 iterations. iteration 601: trace = 2.412631634385495 (5.54641e-07% change) linmin: converged after 4 iterations. iteration 602: trace = 2.412631626641236 (3.20988e-07% change) linmin: converged after 9 iterations. iteration 603: trace = 2.412631622527124 (1.70524e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.412631616376268 (2.54944e-07% change) linmin: converged after 5 iterations. iteration 605: trace = 2.412631607292374 (3.76514e-07% change) linmin: converged after 3 iterations. iteration 606: trace = 2.412631605311292 (8.21129e-08% change) large trace change predicted (4.63878e-07%) linmin: converged after 4 iterations. iteration 607: trace = 2.412631594119526 (4.63882e-07% change) linmin: converged after 21 iterations. iteration 608: trace = 2.412631589506675 (1.91196e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.412631584035406 (2.26776e-07% change) linmin: converged after 20 iterations. iteration 610: trace = 2.412631576344531 (3.18775e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631564470813 (4.92148e-07% change) linmin: converged after 7 iterations. iteration 612: trace = 2.412631561105966 (1.39468e-07% change) large trace change predicted (5.91241e-07%) linmin: converged after 4 iterations. iteration 613: trace = 2.412631546842259 (5.9121e-07% change) linmin: converged after 23 iterations. iteration 614: trace = 2.412631537900961 (3.70604e-07% change) linmin: converged after 11 iterations. iteration 615: trace = 2.412631524948237 (5.36871e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631500920552 (9.95912e-07% change) linmin: converged after 4 iterations. iteration 617: trace = 2.412631487772047 (5.44986e-07% change) large trace change predicted (1.27559e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.412631456995054 (1.27566e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631426358054 (1.26986e-06% change) linmin: converged after 7 iterations. iteration 620: trace = 2.412631419613459 (2.79553e-07% change) linmin: converged after 2 iterations. iteration 621: trace = 2.412631408731586 (4.51038e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.412631388669741 (8.31534e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.412631386320154 (9.73869e-08% change) large trace change predicted (6.43728e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.41263137078966 (6.43716e-07% change) linmin: converged after 20 iterations. iteration 625: trace = 2.412631367461358 (1.37953e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.412631364341196 (1.29326e-07% change) large trace change predicted (2.90043e-07%) linmin: converged after 3 iterations. iteration 627: trace = 2.412631357343453 (2.90046e-07% change) linmin: converged after 12 iterations. iteration 628: trace = 2.4126313523449 (2.07183e-07% change) linmin: converged after 3 iterations. iteration 629: trace = 2.412631348268566 (1.68958e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.412631344431736 (1.59031e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.41263134002685 (1.82576e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.412631335271176 (1.97116e-07% change) linmin: converged after 21 iterations. iteration 633: trace = 2.412631331331592 (1.6329e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631327488496 (1.59291e-07% change) large trace change predicted (6.02673e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631312948187 (6.02674e-07% change) linmin: converged after 3 iterations. iteration 636: trace = 2.412631310895454 (8.50828e-08% change) large trace change predicted (6.68107e-07%) linmin: converged after 37 iterations. iteration 637: trace = 2.412631294775867 (6.68133e-07% change) linmin: converged after 21 iterations. iteration 638: trace = 2.412631282575826 (5.05674e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631277626279 (2.05151e-07% change) large trace change predicted (9.74559e-07%) linmin: converged after 2 iterations. iteration 640: trace = 2.41263125411361 (9.74565e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631232998343 (8.75197e-07% change) linmin: converged after 4 iterations. iteration 642: trace = 2.412631220139265 (5.3299e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.412631199911996 (8.3839e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631191636586 (3.43004e-07% change) linmin: converged after 3 iterations. iteration 645: trace = 2.412631183279183 (3.46402e-07% change) linmin: converged after 4 iterations. iteration 646: trace = 2.412631171487007 (4.88768e-07% change) linmin: converged after 27 iterations. iteration 647: trace = 2.412631168954319 (1.04976e-07% change) large trace change predicted (3.63316e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.412631160188647 (3.63324e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631155897688 (1.77854e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.41263115193879 (1.6409e-07% change) linmin: converged after 3 iterations. iteration 651: trace = 2.412631147490684 (1.84367e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631140568475 (2.86915e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.412631138151422 (1.00183e-07% change) large trace change predicted (2.68793e-07%) linmin: converged after 14 iterations. iteration 654: trace = 2.412631131666535 (2.68789e-07% change) linmin: converged after 3 iterations. iteration 655: trace = 2.412631126515688 (2.13495e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.412631124514832 (8.29326e-08% change) large trace change predicted (2.48912e-07%) linmin: converged after 15 iterations. iteration 657: trace = 2.412631118509633 (2.48907e-07% change) linmin: converged after 6 iterations. iteration 658: trace = 2.412631107672285 (4.49192e-07% change) linmin: converged after 29 iterations. iteration 659: trace = 2.412631105516212 (8.93661e-08% change) large trace change predicted (6.99896e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631088633407 (6.99767e-07% change) linmin: converged after 9 iterations. iteration 661: trace = 2.412631079209359 (3.90613e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.412631073188543 (2.49554e-07% change) large trace change predicted (1.23242e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631043467748 (1.23188e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.412631033031287 (4.32576e-07% change) large trace change predicted (8.95433e-07%) linmin: converged after 3 iterations. iteration 665: trace = 2.41263101143478 (8.95143e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.412630991360767 (8.32038e-07% change) linmin: converged after 34 iterations. iteration 667: trace = 2.412630986898685 (1.84947e-07% change) large trace change predicted (4.22379e-07%) linmin: converged after 20 iterations. iteration 668: trace = 2.412630976708886 (4.22352e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630967660475 (3.75043e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630964884708 (1.15051e-07% change) large trace change predicted (3.97667e-07%) linmin: converged after 8 iterations. iteration 671: trace = 2.412630955291559 (3.97622e-07% change) linmin: converged after 17 iterations. iteration 672: trace = 2.412630947961292 (3.03829e-07% change) linmin: converged after 21 iterations. iteration 673: trace = 2.412630943686239 (1.77195e-07% change) linmin: converged after 26 iterations. iteration 674: trace = 2.412630938138281 (2.29955e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.41263093180878 (2.62349e-07% change) linmin: converged after 3 iterations. iteration 676: trace = 2.412630930657883 (4.7703e-08% change) large trace change predicted (3.67868e-07%) linmin: converged after 3 iterations. iteration 677: trace = 2.412630921782811 (3.67859e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630917325379 (1.84754e-07% change) linmin: converged after 6 iterations. iteration 679: trace = 2.412630912868707 (1.84722e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.412630904878743 (3.31172e-07% change) linmin: converged after 10 iterations. iteration 681: trace = 2.412630901173149 (1.53591e-07% change) linmin: converged after 20 iterations. iteration 682: trace = 2.412630895258257 (2.45164e-07% change) large trace change predicted (6.06104e-07%) linmin: converged after 2 iterations. iteration 683: trace = 2.412630880635001 (6.06112e-07% change) linmin: converged after 3 iterations. iteration 684: trace = 2.412630877671996 (1.22812e-07% change) large trace change predicted (1.2113e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.41263084844553 (1.21139e-06% change) linmin: converged after 21 iterations. iteration 686: trace = 2.412630833135096 (6.34595e-07% change) linmin: converged after 2 iterations. iteration 687: trace = 2.41263082320165 (4.11727e-07% change) large trace change predicted (1.5899e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.41263078483906 (1.59007e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.412630774384965 (4.33307e-07% change) linmin: converged after 23 iterations. iteration 690: trace = 2.412630753695187 (8.57561e-07% change) linmin: converged after 3 iterations. iteration 691: trace = 2.412630743157435 (4.36774e-07% change) linmin: converged after 2 iterations. iteration 692: trace = 2.412630735803318 (3.04817e-07% change) linmin: converged after 2 iterations. iteration 693: trace = 2.41263073181322 (1.65384e-07% change) large trace change predicted (3.75496e-07%) linmin: converged after 12 iterations. iteration 694: trace = 2.412630722753758 (3.75501e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630720241677 (1.04122e-07% change) linmin: converged after 9 iterations. iteration 696: trace = 2.412630715328446 (2.03646e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630708769601 (2.71855e-07% change) linmin: converged after 2 iterations. iteration 698: trace = 2.412630706261897 (1.03941e-07% change) linmin: converged after 30 iterations. iteration 699: trace = 2.412630702052699 (1.74465e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630697984868 (1.68606e-07% change) linmin: converged after 2 iterations. iteration 701: trace = 2.412630695621315 (9.79658e-08% change) large trace change predicted (2.55182e-07%) linmin: converged after 19 iterations. iteration 702: trace = 2.412630689464828 (2.55177e-07% change) linmin: converged after 2 iterations. iteration 703: trace = 2.412630686994338 (1.02398e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.412630682256786 (1.96365e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630674275217 (3.30824e-07% change) linmin: converged after 7 iterations. iteration 706: trace = 2.412630671872351 (9.95953e-08% change) large trace change predicted (3.26983e-07%) linmin: converged after 12 iterations. iteration 707: trace = 2.412630663983398 (3.26986e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.4126306549498 (3.74429e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.412630651129749 (1.58336e-07% change) large trace change predicted (9.28137e-07%) linmin: converged after 4 iterations. iteration 710: trace = 2.412630628738105 (9.28101e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630612230513 (6.84215e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.412630593166302 (7.90184e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.412630580745255 (5.14834e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.412630567807815 (5.36238e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.412630557173796 (4.40764e-07% change) linmin: converged after 23 iterations. iteration 716: trace = 2.412630547752579 (3.90496e-07% change) linmin: converged after 3 iterations. iteration 717: trace = 2.412630544966766 (1.15468e-07% change) linmin: converged after 4 iterations. iteration 718: trace = 2.412630540674763 (1.77897e-07% change) linmin: converged after 3 iterations. iteration 719: trace = 2.412630535659631 (2.0787e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630533018452 (1.09473e-07% change) linmin: converged after 24 iterations. iteration 721: trace = 2.412630529554123 (1.43591e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.412630524119566 (2.25254e-07% change) linmin: converged after 39 iterations. iteration 723: trace = 2.412630523252263 (3.59484e-08% change) large trace change predicted (1.26153e-07%) linmin: converged after 13 iterations. iteration 724: trace = 2.412630520208611 (1.26155e-07% change) linmin: converged after 22 iterations. iteration 725: trace = 2.412630515590306 (1.91422e-07% change) linmin: converged after 4 iterations. iteration 726: trace = 2.41263051451737 (4.44716e-08% change) large trace change predicted (2.54155e-07%) linmin: converged after 18 iterations. iteration 727: trace = 2.412630508384789 (2.54187e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.41263050367689 (1.95135e-07% change) linmin: converged after 3 iterations. iteration 729: trace = 2.412630501519367 (8.94262e-08% change) large trace change predicted (1.91344e-07%) linmin: converged after 3 iterations. iteration 730: trace = 2.412630496902832 (1.91349e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.412630488937158 (3.30166e-07% change) linmin: converged after 2 iterations. iteration 732: trace = 2.41263048677312 (8.96962e-08% change) large trace change predicted (4.38042e-07%) linmin: converged after 28 iterations. iteration 733: trace = 2.412630476203662 (4.38089e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630464126485 (5.00581e-07% change) linmin: converged after 19 iterations. iteration 735: trace = 2.412630457786577 (2.6278e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.412630448537708 (3.83352e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.41263043528228 (5.49418e-07% change) linmin: converged after 3 iterations. iteration 738: trace = 2.412630432378604 (1.20353e-07% change) large trace change predicted (4.25244e-07%) linmin: converged after 4 iterations. iteration 739: trace = 2.412630422117292 (4.25316e-07% change) linmin: converged after 31 iterations. iteration 740: trace = 2.412630421162608 (3.95702e-08% change) large trace change predicted (2.18836e-07%) linmin: converged after 19 iterations. iteration 741: trace = 2.412630415882541 (2.18851e-07% change) linmin: converged after 3 iterations. iteration 742: trace = 2.412630413598977 (9.46504e-08% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630412505465 (4.53245e-08% change) large trace change predicted (1.26626e-07%) linmin: converged after 21 iterations. iteration 744: trace = 2.412630409450342 (1.2663e-07% change) linmin: converged after 7 iterations. iteration 745: trace = 2.412630406140488 (1.37189e-07% change) linmin: converged after 6 iterations. iteration 746: trace = 2.412630405455217 (2.84035e-08% change) large trace change predicted (1.57526e-07%) linmin: converged after 11 iterations. iteration 747: trace = 2.412630401654624 (1.57529e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630400040995 (6.68826e-08% change) linmin: converged after 3 iterations. iteration 749: trace = 2.412630398875223 (4.83195e-08% change) large trace change predicted (1.44433e-07%) linmin: converged after 23 iterations. iteration 750: trace = 2.412630395390554 (1.44434e-07% change) linmin: converged after 4 iterations. iteration 751: trace = 2.412630391577801 (1.58033e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.412630390239896 (5.54542e-08% change) large trace change predicted (1.41042e-07%) linmin: converged after 18 iterations. iteration 753: trace = 2.412630386837133 (1.4104e-07% change) linmin: converged after 7 iterations. iteration 754: trace = 2.412630380998193 (2.42016e-07% change) linmin: converged after 32 iterations. iteration 755: trace = 2.412630378758817 (9.28189e-08% change) large trace change predicted (3.85767e-07%) linmin: converged after 3 iterations. iteration 756: trace = 2.412630369452035 (3.85753e-07% change) linmin: converged after 16 iterations. iteration 757: trace = 2.412630361949772 (3.10958e-07% change) linmin: converged after 2 iterations. iteration 758: trace = 2.412630353931812 (3.32333e-07% change) linmin: converged after 9 iterations. iteration 759: trace = 2.412630343761267 (4.21554e-07% change) linmin: converged after 13 iterations. iteration 760: trace = 2.412630341641721 (8.78521e-08% change) large trace change predicted (2.09499e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630336587362 (2.09496e-07% change) linmin: converged after 9 iterations. iteration 762: trace = 2.412630330239075 (2.63127e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.41263032943413 (3.33638e-08% change) large trace change predicted (2.18555e-07%) linmin: converged after 8 iterations. iteration 764: trace = 2.412630324161313 (2.18551e-07% change) linmin: converged after 12 iterations. iteration 765: trace = 2.412630322968184 (4.94534e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.412630320703994 (9.38474e-08% change) linmin: converged after 8 iterations. iteration 767: trace = 2.412630319365513 (5.54781e-08% change) linmin: converged after 3 iterations. iteration 768: trace = 2.412630317527879 (7.61672e-08% change) linmin: converged after 9 iterations. iteration 769: trace = 2.412630315728442 (7.45841e-08% change) resetting CG direction... linmin: converged after 34 iterations. iteration 770: trace = 2.412630314002941 (7.15195e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630312334698 (6.91462e-08% change) linmin: converged after 4 iterations. iteration 772: trace = 2.412630311072657 (5.23098e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.412630310201734 (3.60985e-08% change) large trace change predicted (1.00858e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.412630307768393 (1.00858e-07% change) linmin: converged after 3 iterations. iteration 775: trace = 2.412630303398672 (1.81119e-07% change) linmin: converged after 7 iterations. iteration 776: trace = 2.412630302344466 (4.36953e-08% change) large trace change predicted (1.43487e-07%) linmin: converged after 28 iterations. iteration 777: trace = 2.412630298882664 (1.43487e-07% change) linmin: converged after 20 iterations. iteration 778: trace = 2.412630293349228 (2.29353e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.412630291782287 (6.49474e-08% change) large trace change predicted (3.79797e-07%) linmin: converged after 17 iterations. iteration 780: trace = 2.412630282619255 (3.79794e-07% change) linmin: converged after 18 iterations. iteration 781: trace = 2.412630278611255 (1.66126e-07% change) large trace change predicted (3.44064e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.412630270310145 (3.44069e-07% change) linmin: converged after 11 iterations. iteration 783: trace = 2.412630264638863 (2.35066e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630262012753 (1.08848e-07% change) linmin: converged after 2 iterations. iteration 785: trace = 2.412630257534532 (1.85616e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.412630253415061 (1.70746e-07% change) linmin: converged after 3 iterations. iteration 787: trace = 2.412630252621948 (3.28734e-08% change) large trace change predicted (1.43601e-07%) linmin: converged after 24 iterations. iteration 788: trace = 2.41263024915729 (1.43605e-07% change) linmin: converged after 3 iterations. iteration 789: trace = 2.412630247705548 (6.01726e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.412630246642179 (4.40751e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630244692875 (8.07958e-08% change) linmin: converged after 14 iterations. iteration 792: trace = 2.412630242850142 (7.63786e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630241342932 (6.24717e-08% change) linmin: converged after 24 iterations. iteration 794: trace = 2.412630238989813 (9.75333e-08% change) linmin: converged after 3 iterations. iteration 795: trace = 2.412630237919453 (4.43649e-08% change) linmin: converged after 26 iterations. iteration 796: trace = 2.41263023639565 (6.31594e-08% change) linmin: converged after 3 iterations. iteration 797: trace = 2.412630234404551 (8.25282e-08% change) linmin: converged after 22 iterations. iteration 798: trace = 2.412630231415624 (1.23887e-07% change) linmin: converged after 15 iterations. iteration 799: trace = 2.412630229447239 (8.15867e-08% change) large trace change predicted (2.53304e-07%) linmin: converged after 3 iterations. iteration 800: trace = 2.412630223336504 (2.53281e-07% change) linmin: converged after 14 iterations. iteration 801: trace = 2.412630219508458 (1.58667e-07% change) linmin: converged after 3 iterations. iteration 802: trace = 2.41263021656119 (1.2216e-07% change) large trace change predicted (4.23832e-07%) linmin: converged after 19 iterations. iteration 803: trace = 2.412630206338954 (4.23697e-07% change) linmin: converged after 11 iterations. iteration 804: trace = 2.412630200502285 (2.41921e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.412630194327604 (2.55931e-07% change) linmin: converged after 6 iterations. iteration 806: trace = 2.412630189155901 (2.1436e-07% change) linmin: converged after 23 iterations. iteration 807: trace = 2.412630184255125 (2.0313e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630183113364 (4.73243e-08% change) large trace change predicted (1.78707e-07%) linmin: converged after 5 iterations. iteration 809: trace = 2.412630178802017 (1.78699e-07% change) linmin: converged after 3 iterations. iteration 810: trace = 2.412630176103099 (1.11866e-07% change) linmin: converged after 15 iterations. iteration 811: trace = 2.412630174655609 (5.99964e-08% change) large trace change predicted (1.468e-07%) linmin: converged after 3 iterations. iteration 812: trace = 2.412630171114174 (1.46787e-07% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630170541555 (2.37342e-08% change) large trace change predicted (8.56223e-08%) linmin: converged after 6 iterations. iteration 814: trace = 2.412630168475846 (8.56206e-08% change) linmin: converged after 6 iterations. iteration 815: trace = 2.412630166425033 (8.50032e-08% change) linmin: converged after 3 iterations. iteration 816: trace = 2.41263016596134 (1.92194e-08% change) large trace change predicted (1.22756e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.412630162999704 (1.22756e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.412630161544896 (6.02997e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630160401213 (4.7404e-08% change) large trace change predicted (1.04857e-07%) linmin: converged after 3 iterations. iteration 820: trace = 2.412630157871396 (1.04857e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.412630155502437 (9.81899e-08% change) linmin: converged after 17 iterations. iteration 822: trace = 2.41263015373589 (7.32208e-08% change) large trace change predicted (2.11537e-07%) linmin: converged after 3 iterations. iteration 823: trace = 2.412630148632152 (2.11543e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.412630147596164 (4.29402e-08% change) large trace change predicted (4.24036e-07%) linmin: converged after 9 iterations. iteration 825: trace = 2.412630137365308 (4.24054e-07% change) linmin: converged after 4 iterations. iteration 826: trace = 2.412630131637216 (2.37421e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.412630125367094 (2.59887e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.412630115580674 (4.05633e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.412630106176529 (3.89788e-07% change) linmin: converged after 38 iterations. iteration 830: trace = 2.412630104317195 (7.70667e-08% change) large trace change predicted (1.84428e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.41263009986758 (1.8443e-07% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630097204729 (1.10371e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630096236547 (4.01297e-08% change) large trace change predicted (1.12539e-07%) linmin: converged after 9 iterations. iteration 834: trace = 2.412630093521376 (1.1254e-07% change) linmin: converged after 3 iterations. iteration 835: trace = 2.41263009130243 (9.19721e-08% change) linmin: converged after 3 iterations. iteration 836: trace = 2.41263009081976 (2.0006e-08% change) large trace change predicted (1.0333e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.412630088326788 (1.0333e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630087184927 (4.73285e-08% change) linmin: converged after 7 iterations. iteration 839: trace = 2.412630086005061 (4.89037e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 840: trace = 2.412630084853224 (4.77419e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630083775452 (4.46721e-08% change) large trace change predicted (9.87849e-08%) linmin: converged after 4 iterations. iteration 842: trace = 2.412630081392131 (9.87852e-08% change) linmin: converged after 3 iterations. iteration 843: trace = 2.412630080919055 (1.96083e-08% change) large trace change predicted (8.72356e-08%) linmin: converged after 19 iterations. iteration 844: trace = 2.412630078814388 (8.72354e-08% change) linmin: converged after 9 iterations. iteration 845: trace = 2.412630076522828 (9.49818e-08% change) linmin: converged after 3 iterations. iteration 846: trace = 2.412630075547689 (4.04181e-08% change) large trace change predicted (9.2334e-08%) linmin: converged after 4 iterations. iteration 847: trace = 2.412630073320048 (9.23325e-08% change) linmin: converged after 13 iterations. iteration 848: trace = 2.412630069081791 (1.7567e-07% change) linmin: converged after 2 iterations. iteration 849: trace = 2.412630067837733 (5.15644e-08% change) large trace change predicted (3.41124e-07%) linmin: converged after 30 iterations. iteration 850: trace = 2.412630059607968 (3.41112e-07% change) linmin: converged after 6 iterations. iteration 851: trace = 2.412630055236741 (1.81181e-07% change) linmin: converged after 14 iterations. iteration 852: trace = 2.412630048927199 (2.61521e-07% change) linmin: converged after 3 iterations. iteration 853: trace = 2.41263004326056 (2.34874e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.412630035362064 (3.27381e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.412630034623983 (3.05924e-08% change) large trace change predicted (1.22412e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.412630031670645 (1.22412e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.412630029864731 (7.48525e-08% change) linmin: converged after 9 iterations. iteration 858: trace = 2.412630029083334 (3.23878e-08% change) large trace change predicted (7.69998e-08%) linmin: converged after 3 iterations. iteration 859: trace = 2.412630027225611 (7.69999e-08% change) linmin: converged after 3 iterations. iteration 860: trace = 2.412630026050904 (4.86899e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.412630025045656 (4.16661e-08% change) linmin: converged after 2 iterations. iteration 862: trace = 2.412630023160149 (7.81515e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.412630022805833 (1.46859e-08% change) large trace change predicted (4.65662e-08%) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021682353 (4.65666e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.412630020105678 (6.53509e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.412630019766103 (1.40749e-08% change) large trace change predicted (9.34969e-08%) linmin: converged after 20 iterations. iteration 867: trace = 2.412630017510174 (9.3505e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630016426371 (4.4922e-08% change) linmin: converged after 7 iterations. iteration 869: trace = 2.412630015371302 (4.37311e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.412630013401023 (8.16652e-08% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630010552538 (1.18066e-07% change) linmin: converged after 3 iterations. iteration 872: trace = 2.4126300097959 (3.13615e-08% change) large trace change predicted (1.66541e-07%) linmin: converged after 5 iterations. iteration 873: trace = 2.412630005777557 (1.66554e-07% change) linmin: converged after 3 iterations. iteration 874: trace = 2.412630000327308 (2.25905e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629997601611 (1.12976e-07% change) linmin: converged after 3 iterations. iteration 876: trace = 2.412629996002416 (6.62843e-08% change) large trace change predicted (2.32807e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.412629990384681 (2.32847e-07% change) linmin: converged after 5 iterations. iteration 878: trace = 2.412629989772531 (2.53727e-08% change) large trace change predicted (1.47967e-07%) linmin: converged after 4 iterations. iteration 879: trace = 2.412629986202342 (1.47979e-07% change) linmin: converged after 16 iterations. iteration 880: trace = 2.412629985180147 (4.23685e-08% change) linmin: converged after 2 iterations. iteration 881: trace = 2.4126299837857 (5.77978e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.412629982846029 (3.8948e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629982045632 (3.31753e-08% change) linmin: converged after 28 iterations. iteration 884: trace = 2.412629981563856 (1.99689e-08% change) large trace change predicted (4.71691e-08%) linmin: converged after 3 iterations. iteration 885: trace = 2.412629980425849 (4.71688e-08% change) linmin: converged after 6 iterations. iteration 886: trace = 2.412629980010091 (1.72326e-08% change) large trace change predicted (5.13306e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.412629978771683 (5.13302e-08% change) linmin: converged after 3 iterations. iteration 888: trace = 2.412629978098695 (2.78943e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.412629977621283 (1.97881e-08% change) large trace change predicted (4.03133e-08%) linmin: converged after 3 iterations. iteration 890: trace = 2.412629976648673 (4.03133e-08% change) linmin: converged after 15 iterations. iteration 891: trace = 2.412629975084502 (6.48326e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.412629974734866 (1.44919e-08% change) large trace change predicted (6.46005e-08%) linmin: converged after 4 iterations. iteration 893: trace = 2.412629973176286 (6.46009e-08% change) linmin: converged after 10 iterations. iteration 894: trace = 2.412629971143999 (8.42353e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.412629970287078 (3.55181e-08% change) large trace change predicted (1.21358e-07%) linmin: converged after 7 iterations. iteration 896: trace = 2.412629967359126 (1.21359e-07% change) linmin: converged after 5 iterations. iteration 897: trace = 2.41262996325066 (1.7029e-07% change) linmin: converged after 10 iterations. iteration 898: trace = 2.412629961827745 (5.89777e-08% change) large trace change predicted (1.47248e-07%) linmin: converged after 13 iterations. iteration 899: trace = 2.412629958275279 (1.47245e-07% change) linmin: converged after 22 iterations. iteration 900: trace = 2.41262995762309 (2.70323e-08% change) large trace change predicted (6.70779e-08%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629956004767 (6.70771e-08% change) linmin: converged after 8 iterations. iteration 902: trace = 2.412629953853624 (8.91618e-08% change) linmin: converged after 6 iterations. iteration 903: trace = 2.412629952339011 (6.27785e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.412629951824864 (2.13106e-08% change) large trace change predicted (4.56631e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.412629950723184 (4.56631e-08% change) linmin: converged after 9 iterations. iteration 906: trace = 2.41262995043129 (1.20986e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.412629950115063 (1.31072e-08% change) large trace change predicted (4.82051e-08%) linmin: converged after 9 iterations. iteration 908: trace = 2.412629948952074 (4.82042e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.412629948000506 (3.94411e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.412629947096256 (3.74798e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.412629946063116 (4.28222e-08% change) linmin: converged after 13 iterations. iteration 912: trace = 2.412629945705591 (1.48189e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.412629945403778 (1.25097e-08% change) large trace change predicted (3.66869e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.412629944518654 (3.66871e-08% change) linmin: converged after 8 iterations. iteration 915: trace = 2.412629943941131 (2.39375e-08% change) linmin: converged after 19 iterations. iteration 916: trace = 2.412629942846111 (4.5387e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.41262994195871 (3.67815e-08% change) linmin: converged after 3 iterations. iteration 918: trace = 2.412629940945351 (4.20023e-08% change) linmin: converged after 32 iterations. iteration 919: trace = 2.412629939456953 (6.16919e-08% change) large trace change predicted (1.39475e-07%) linmin: converged after 4 iterations. iteration 920: trace = 2.412629936091918 (1.39476e-07% change) linmin: converged after 8 iterations. iteration 921: trace = 2.412629935440238 (2.70112e-08% change) large trace change predicted (1.37329e-07%) linmin: converged after 16 iterations. iteration 922: trace = 2.41262993212697 (1.3733e-07% change) linmin: converged after 9 iterations. iteration 923: trace = 2.412629929854697 (9.41824e-08% change) linmin: converged after 25 iterations. iteration 924: trace = 2.41262992903042 (3.41651e-08% change) large trace change predicted (6.89212e-08%) linmin: converged after 13 iterations. iteration 925: trace = 2.412629927367583 (6.89222e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925481372 (7.81807e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629925170021 (1.2905e-08% change) large trace change predicted (4.50779e-08%) linmin: converged after 2 iterations. iteration 928: trace = 2.412629924082459 (4.50779e-08% change) linmin: converged after 3 iterations. iteration 929: trace = 2.412629923616154 (1.93277e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629923335968 (1.16133e-08% change) large trace change predicted (3.70642e-08%) linmin: converged after 3 iterations. iteration 931: trace = 2.412629922441755 (3.70638e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.412629921545873 (3.7133e-08% change) linmin: converged after 3 iterations. iteration 933: trace = 2.412629921236584 (1.28196e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920621312 (2.55021e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919788004 (3.45394e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.412629919585213 (8.4054e-09% change) large trace change predicted (3.2847e-08%) linmin: converged after 3 iterations. iteration 937: trace = 2.412629918792752 (3.28463e-08% change) linmin: converged after 20 iterations. iteration 938: trace = 2.412629917916981 (3.62995e-08% change) linmin: converged after 3 iterations. iteration 939: trace = 2.412629917146474 (3.19364e-08% change) linmin: converged after 8 iterations. iteration 940: trace = 2.412629916255733 (3.69199e-08% change) large trace change predicted (8.63994e-08%) linmin: converged after 3 iterations. iteration 941: trace = 2.412629914171304 (8.63966e-08% change) linmin: converged after 10 iterations. iteration 942: trace = 2.412629913732433 (1.81906e-08% change) large trace change predicted (1.72939e-07%) linmin: converged after 22 iterations. iteration 943: trace = 2.412629909560476 (1.72922e-07% change) linmin: converged after 2 iterations. iteration 944: trace = 2.412629908693916 (3.59176e-08% change) large trace change predicted (1.61041e-07%) linmin: converged after 4 iterations. iteration 945: trace = 2.412629904808962 (1.61026e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.412629902806294 (8.30077e-08% change) linmin: converged after 12 iterations. iteration 947: trace = 2.412629901003231 (7.47343e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.412629900520371 (2.00138e-08% change) large trace change predicted (6.2617e-08%) linmin: converged after 8 iterations. iteration 949: trace = 2.412629899009689 (6.26156e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.412629897714054 (5.37022e-08% change) linmin: converged after 9 iterations. iteration 951: trace = 2.412629897292119 (1.74886e-08% change) large trace change predicted (4.40285e-08%) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896229895 (4.40277e-08% change) linmin: converged after 7 iterations. iteration 953: trace = 2.412629895835679 (1.63397e-08% change) linmin: converged after 31 iterations. iteration 954: trace = 2.41262989545988 (1.55763e-08% change) large trace change predicted (4.40494e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.412629894397146 (4.40488e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629894177326 (9.11121e-09% change) large trace change predicted (4.35654e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.41262989312627 (4.35648e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.412629892693353 (1.79438e-08% change) linmin: converged after 3 iterations. iteration 959: trace = 2.412629892094426 (2.48246e-08% change) linmin: converged after 5 iterations. iteration 960: trace = 2.412629891158984 (3.87727e-08% change) linmin: converged after 6 iterations. iteration 961: trace = 2.412629890450349 (2.93719e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.412629890044665 (1.6815e-08% change) large trace change predicted (7.79877e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.412629888163096 (7.79883e-08% change) linmin: converged after 3 iterations. iteration 964: trace = 2.412629886947771 (5.03734e-08% change) large trace change predicted (1.19346e-07%) linmin: converged after 4 iterations. iteration 965: trace = 2.412629884068335 (1.19348e-07% change) linmin: converged after 4 iterations. iteration 966: trace = 2.412629880344576 (1.54344e-07% change) linmin: converged after 10 iterations. iteration 967: trace = 2.412629877828252 (1.04298e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.412629876766644 (4.40021e-08% change) large trace change predicted (1.53344e-07%) linmin: converged after 24 iterations. iteration 969: trace = 2.41262987306691 (1.53349e-07% change) linmin: converged after 3 iterations. iteration 970: trace = 2.412629872084477 (4.07204e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.412629870941752 (4.73643e-08% change) linmin: converged after 4 iterations. iteration 972: trace = 2.412629869864672 (4.46434e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.41262986936404 (2.07505e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.412629868864745 (2.06951e-08% change) linmin: converged after 13 iterations. iteration 975: trace = 2.412629868071305 (3.28869e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.412629867904632 (6.90837e-09% change) large trace change predicted (4.18304e-08%) linmin: converged after 3 iterations. iteration 977: trace = 2.412629866895409 (4.18308e-08% change) linmin: converged after 4 iterations. iteration 978: trace = 2.412629866098786 (3.30189e-08% change) linmin: converged after 3 iterations. iteration 979: trace = 2.412629864748495 (5.59676e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629863545178 (4.98757e-08% change) linmin: converged after 8 iterations. iteration 981: trace = 2.412629862858517 (2.84611e-08% change) linmin: converged after 3 iterations. iteration 982: trace = 2.412629862100964 (3.13994e-08% change) linmin: converged after 3 iterations. iteration 983: trace = 2.412629861885926 (8.91302e-09% change) large trace change predicted (3.86844e-08%) linmin: converged after 4 iterations. iteration 984: trace = 2.412629860952619 (3.86842e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.412629860525339 (1.77102e-08% change) linmin: converged after 5 iterations. iteration 986: trace = 2.412629860196476 (1.36309e-08% change) large trace change predicted (3.9324e-08%) linmin: converged after 21 iterations. iteration 987: trace = 2.412629859247733 (3.9324e-08% change) linmin: converged after 17 iterations. iteration 988: trace = 2.412629858594462 (2.70772e-08% change) linmin: converged after 7 iterations. iteration 989: trace = 2.412629857614493 (4.06183e-08% change) large trace change predicted (1.15146e-07%) linmin: converged after 4 iterations. iteration 990: trace = 2.412629854836491 (1.15144e-07% change) linmin: converged after 19 iterations. iteration 991: trace = 2.412629854082428 (3.12548e-08% change) large trace change predicted (6.28935e-08%) linmin: converged after 4 iterations. iteration 992: trace = 2.412629852565037 (6.28937e-08% change) large trace change predicted (1.49805e-07%) linmin: converged after 3 iterations. iteration 993: trace = 2.412629848950882 (1.49801e-07% change) linmin: converged after 30 iterations. iteration 994: trace = 2.412629848207922 (3.07946e-08% change) large trace change predicted (7.84549e-08%) linmin: converged after 12 iterations. iteration 995: trace = 2.412629846315109 (7.84543e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.41262984535935 (3.96148e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.412629844930482 (1.7776e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.412629844252526 (2.81003e-08% change) linmin: converged after 3 iterations. iteration 999: trace = 2.412629843325026 (3.84435e-08% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.412629843164996 (6.63302e-09% change) large trace change predicted (2.14305e-08%) linmin: converged after 25 iterations. iteration 1001: trace = 2.412629842647958 (2.14305e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629842207104 (1.82728e-08% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.412629841946901 (1.0785e-08% change) linmin: converged after 10 iterations. iteration 1004: trace = 2.412629841632628 (1.30262e-08% change) large trace change predicted (2.69475e-08%) linmin: converged after 30 iterations. iteration 1005: trace = 2.412629840982474 (2.69479e-08% change) linmin: converged after 22 iterations. iteration 1006: trace = 2.412629840877706 (4.34251e-09% change) large trace change predicted (3.23115e-08%) linmin: converged after 5 iterations. iteration 1007: trace = 2.41262984009813 (3.23123e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.412629839751881 (1.43515e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.41262983958712 (6.82911e-09% change) large trace change predicted (4.12517e-08%) linmin: converged after 5 iterations. iteration 1010: trace = 2.412629838591845 (4.12527e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629838120655 (1.95301e-08% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.412629837510762 (2.52792e-08% change) large trace change predicted (6.32167e-08%) linmin: converged after 15 iterations. iteration 1013: trace = 2.412629835985489 (6.32203e-08% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.412629835631574 (1.46693e-08% change) large trace change predicted (7.57536e-08%) linmin: converged after 19 iterations. iteration 1015: trace = 2.412629833803829 (7.57574e-08% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.412629832362236 (5.9752e-08% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.412629831910247 (1.87343e-08% change) large trace change predicted (7.29303e-08%) linmin: converged after 22 iterations. iteration 1018: trace = 2.412629830150612 (7.29343e-08% change) linmin: converged after 27 iterations. iteration 1019: trace = 2.412629829443364 (2.93144e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629828968342 (1.9689e-08% change) linmin: converged after 9 iterations. iteration 1021: trace = 2.412629828506349 (1.91489e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.412629827984003 (2.16505e-08% change) linmin: converged after 31 iterations. iteration 1023: trace = 2.412629827616924 (1.52149e-08% change) linmin: converged after 16 iterations. iteration 1024: trace = 2.412629827409932 (8.57949e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629827030375 (1.57321e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.412629826909312 (5.01787e-09% change) large trace change predicted (1.45454e-08%) linmin: converged after 4 iterations. iteration 1027: trace = 2.412629826558385 (1.45454e-08% change) linmin: converged after 27 iterations. iteration 1028: trace = 2.412629826249745 (1.27927e-08% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629826162839 (3.60211e-09% change) large trace change predicted (1.99901e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629825680554 (1.999e-08% change) linmin: converged after 13 iterations. iteration 1031: trace = 2.41262982547264 (8.6177e-09% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.412629825146364 (1.35237e-08% change) linmin: converged after 22 iterations. iteration 1033: trace = 2.412629824792251 (1.46775e-08% change) linmin: converged after 6 iterations. iteration 1034: trace = 2.412629824093842 (2.8948e-08% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.41262982367828 (1.72244e-08% change) large trace change predicted (4.03548e-08%) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629822704666 (4.03549e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.412629822310552 (1.63354e-08% change) large trace change predicted (7.0546e-08%) linmin: converged after 11 iterations. iteration 1038: trace = 2.412629820608553 (7.05454e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629819755971 (3.53383e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.412629819101847 (2.71125e-08% change) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629818478117 (2.58527e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.412629817860864 (2.55842e-08% change) linmin: converged after 34 iterations. iteration 1043: trace = 2.412629817739202 (5.04274e-09% change) large trace change predicted (2.31791e-08%) linmin: converged after 38 iterations. iteration 1044: trace = 2.412629817179984 (2.31788e-08% change) linmin: converged after 7 iterations. iteration 1045: trace = 2.412629817058231 (5.04646e-09% change) large trace change predicted (1.48557e-08%) linmin: converged after 24 iterations. iteration 1046: trace = 2.41262981669982 (1.48556e-08% change) linmin: converged after 14 iterations. iteration 1047: trace = 2.412629816529682 (7.05198e-09% change) linmin: converged after 6 iterations. iteration 1048: trace = 2.412629816447601 (3.40212e-09% change) large trace change predicted (1.03698e-08%) linmin: converged after 12 iterations. iteration 1049: trace = 2.412629816197413 (1.03699e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.412629815984674 (8.81769e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.412629815909481 (3.11667e-09% change) large trace change predicted (8.16028e-09%) linmin: converged after 4 iterations. iteration 1052: trace = 2.412629815712607 (8.16014e-09% change) linmin: converged after 2 iterations. iteration 1053: trace = 2.412629815440551 (1.12763e-08% change) linmin: converged after 22 iterations. iteration 1054: trace = 2.412629815353476 (3.60916e-09% change) large trace change predicted (2.10156e-08%) linmin: converged after 5 iterations. iteration 1055: trace = 2.412629814846445 (2.10157e-08% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.412629814710474 (5.63581e-09% change) large trace change predicted (1.94301e-08%) linmin: converged after 2 iterations. iteration 1057: trace = 2.412629814241695 (1.94302e-08% change) linmin: converged after 5 iterations. iteration 1058: trace = 2.412629813657432 (2.42169e-08% change) linmin: converged after 7 iterations. iteration 1059: trace = 2.412629813162883 (2.04983e-08% change) linmin: converged after 12 iterations. iteration 1060: trace = 2.412629812289742 (3.61904e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.412629811028063 (5.22948e-08% change) linmin: converged after 18 iterations. iteration 1062: trace = 2.412629810679151 (1.44619e-08% change) large trace change predicted (2.90844e-08%) linmin: converged after 32 iterations. iteration 1063: trace = 2.412629809977447 (2.90846e-08% change) linmin: converged after 11 iterations. iteration 1064: trace = 2.412629809486695 (2.0341e-08% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.412629809252496 (9.7072e-09% change) large trace change predicted (2.44557e-08%) linmin: converged after 24 iterations. iteration 1066: trace = 2.412629808662468 (2.44558e-08% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.412629808288325 (1.55077e-08% change) linmin: converged after 20 iterations. iteration 1068: trace = 2.412629808183221 (4.35642e-09% change) linmin: converged after 7 iterations. iteration 1069: trace = 2.412629808011935 (7.09954e-09% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.412629807738854 (1.13188e-08% change) linmin: converged after 2 iterations. iteration 1071: trace = 2.412629807677861 (2.52807e-09% change) large trace change predicted (1.5228e-08%) linmin: converged after 2 iterations. iteration 1072: trace = 2.412629807310466 (1.5228e-08% change) linmin: converged after 8 iterations. iteration 1073: trace = 2.412629807206427 (4.3123e-09% change) large trace change predicted (1.18308e-08%) linmin: converged after 32 iterations. iteration 1074: trace = 2.412629806920994 (1.18307e-08% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.412629806704846 (8.95906e-09% change) linmin: converged after 5 iterations. iteration 1076: trace = 2.412629806542727 (6.71959e-09% change) linmin: converged after 3 iterations. iteration 1077: trace = 2.412629806274798 (1.11052e-08% change) linmin: converged after 26 iterations. iteration 1078: trace = 2.412629805845823 (1.77804e-08% change) linmin: converged after 2 iterations. iteration 1079: trace = 2.412629805588176 (1.06791e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629805201436 (1.60298e-08% change) linmin: converged after 7 iterations. iteration 1081: trace = 2.41262980472553 (1.97256e-08% change) large trace change predicted (6.32318e-08%) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629803200066 (6.32283e-08% change) linmin: converged after 4 iterations. iteration 1083: trace = 2.412629802741909 (1.899e-08% change) large trace change predicted (5.37076e-08%) linmin: converged after 22 iterations. iteration 1084: trace = 2.412629801446201 (5.37052e-08% change) linmin: converged after 24 iterations. iteration 1085: trace = 2.412629800862739 (2.41837e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.412629800601384 (1.08328e-08% change) large trace change predicted (3.04478e-08%) linmin: converged after 10 iterations. iteration 1087: trace = 2.412629799866803 (3.04473e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629799350177 (2.14134e-08% change) linmin: converged after 29 iterations. iteration 1089: trace = 2.412629799225591 (5.1639e-09% change) large trace change predicted (1.89076e-08%) linmin: converged after 11 iterations. iteration 1090: trace = 2.412629798769434 (1.89071e-08% change) linmin: converged after 2 iterations. iteration 1091: trace = 2.412629798577574 (7.95231e-09% change) linmin: converged after 3 iterations. iteration 1092: trace = 2.412629798333592 (1.01127e-08% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.412629798124874 (8.65104e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.412629797939717 (7.67448e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.41262979777021 (7.02582e-09% change) large trace change predicted (1.5569e-08%) linmin: converged after 3 iterations. iteration 1096: trace = 2.412629797394588 (1.5569e-08% change) linmin: converged after 7 iterations. iteration 1097: trace = 2.412629797326813 (2.80918e-09% change) large trace change predicted (8.10864e-09%) linmin: converged after 4 iterations. iteration 1098: trace = 2.412629797131182 (8.10861e-09% change) linmin: converged after 25 iterations. iteration 1099: trace = 2.412629796756931 (1.55122e-08% change) linmin: converged after 11 iterations. iteration 1100: trace = 2.412629796595836 (6.67716e-09% change) large trace change predicted (1.55985e-08%) linmin: converged after 13 iterations. iteration 1101: trace = 2.412629796219503 (1.55985e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.41262979567259 (2.26687e-08% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.412629795547905 (5.168e-09% change) large trace change predicted (4.93729e-08%) linmin: converged after 2 iterations. iteration 1104: trace = 2.412629794356703 (4.93736e-08% change) linmin: converged after 22 iterations. iteration 1105: trace = 2.412629793449353 (3.76083e-08% change) linmin: converged after 32 iterations. iteration 1106: trace = 2.41262979269133 (3.1419e-08% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.412629791839958 (3.52881e-08% change) linmin: converged after 9 iterations. iteration 1108: trace = 2.412629790416732 (5.89906e-08% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.412629790204755 (8.78616e-09% change) large trace change predicted (2.22164e-08%) linmin: converged after 21 iterations. iteration 1110: trace = 2.412629789668755 (2.22164e-08% change) linmin: converged after 37 iterations. iteration 1111: trace = 2.412629789317712 (1.45502e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.412629789155554 (6.72119e-09% change) linmin: converged after 4 iterations. iteration 1113: trace = 2.412629788911368 (1.01212e-08% change) linmin: converged after 24 iterations. iteration 1114: trace = 2.412629788675285 (9.78527e-09% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.412629788600126 (3.11525e-09% change) large trace change predicted (1.42705e-08%) linmin: converged after 3 iterations. iteration 1116: trace = 2.41262978825583 (1.42706e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.41262978816116 (3.92394e-09% change) large trace change predicted (1.74541e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629787740058 (1.74541e-08% change) large trace change predicted (6.3657e-08%) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786204226 (6.3658e-08% change) resetting CG direction... linmin: converged after 30 iterations. iteration 1120: trace = 2.412629785285744 (3.80698e-08% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.412629784620151 (2.75879e-08% change) linmin: converged after 22 iterations. iteration 1122: trace = 2.412629784332103 (1.19391e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.412629784238997 (3.85913e-09% change) large trace change predicted (1.05024e-08%) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629783985613 (1.05024e-08% change) linmin: converged after 15 iterations. iteration 1125: trace = 2.412629783779505 (8.54288e-09% change) linmin: converged after 14 iterations. iteration 1126: trace = 2.412629783693836 (3.55088e-09% change) large trace change predicted (8.91197e-09%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629783478826 (8.91184e-09% change) linmin: converged after 19 iterations. iteration 1128: trace = 2.412629783185753 (1.21474e-08% change) linmin: converged after 6 iterations. iteration 1129: trace = 2.412629783091349 (3.91289e-09% change) large trace change predicted (2.23757e-08%) linmin: converged after 9 iterations. iteration 1130: trace = 2.412629782551514 (2.23754e-08% change) linmin: converged after 8 iterations. iteration 1131: trace = 2.412629782250037 (1.24958e-08% change) large trace change predicted (2.58146e-08%) linmin: converged after 3 iterations. iteration 1132: trace = 2.412629781627233 (2.58143e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629781118458 (2.1088e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629780624438 (2.04764e-08% change) linmin: converged after 27 iterations. iteration 1135: trace = 2.412629779799263 (3.42023e-08% change) linmin: converged after 5 iterations. iteration 1136: trace = 2.412629779002777 (3.30132e-08% change) linmin: converged after 6 iterations. iteration 1137: trace = 2.412629778802315 (8.30889e-09% change) linmin: converged after 30 iterations. iteration 1138: trace = 2.41262977864878 (6.36376e-09% change) large trace change predicted (1.44523e-08%) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629778300097 (1.44524e-08% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.41262977804243 (1.06799e-08% change) linmin: converged after 2 iterations. iteration 1141: trace = 2.412629777972584 (2.89497e-09% change) large trace change predicted (1.20991e-08%) linmin: converged after 2 iterations. iteration 1142: trace = 2.412629777680676 (1.20992e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.412629777627251 (2.21438e-09% change) large trace change predicted (6.60275e-09%) linmin: converged after 6 iterations. iteration 1144: trace = 2.412629777467953 (6.60269e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629777328626 (5.77491e-09% change) linmin: converged after 18 iterations. iteration 1146: trace = 2.412629777281504 (1.95315e-09% change) large trace change predicted (7.51945e-09%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629777100085 (7.51955e-09% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629776899561 (8.31141e-09% change) linmin: converged after 17 iterations. iteration 1149: trace = 2.412629776856743 (1.77475e-09% change) large trace change predicted (6.23329e-09%) linmin: converged after 6 iterations. iteration 1150: trace = 2.412629776706354 (6.23339e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629776455408 (1.04013e-08% change) linmin: converged after 3 iterations. iteration 1152: trace = 2.412629776329157 (5.23292e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.4126297760858 (1.00868e-08% change) large trace change predicted (2.52895e-08%) linmin: converged after 10 iterations. iteration 1154: trace = 2.412629775475638 (2.52903e-08% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.412629775355432 (4.98239e-09% change) large trace change predicted (3.10659e-08%) linmin: converged after 14 iterations. iteration 1156: trace = 2.412629774605901 (3.1067e-08% change) linmin: converged after 11 iterations. iteration 1157: trace = 2.412629774238465 (1.52297e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774098556 (5.79902e-09% change) large trace change predicted (2.37378e-08%) linmin: converged after 7 iterations. iteration 1159: trace = 2.412629773525842 (2.37382e-08% change) linmin: converged after 6 iterations. iteration 1160: trace = 2.41262977323481 (1.20628e-08% change) linmin: converged after 23 iterations. iteration 1161: trace = 2.4126297731781 (2.35057e-09% change) large trace change predicted (7.86384e-09%) linmin: converged after 6 iterations. iteration 1162: trace = 2.412629772988374 (7.86387e-09% change) linmin: converged after 10 iterations. iteration 1163: trace = 2.412629772801721 (7.73647e-09% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.412629772738612 (2.61578e-09% change) linmin: converged after 6 iterations. iteration 1165: trace = 2.412629772656318 (3.41096e-09% change) large trace change predicted (8.49693e-09%) linmin: converged after 29 iterations. iteration 1166: trace = 2.412629772451317 (8.49703e-09% change) linmin: converged after 6 iterations. iteration 1167: trace = 2.412629772424772 (1.10025e-09% change) large trace change predicted (6.62217e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.412629772265004 (6.62214e-09% change) linmin: converged after 12 iterations. iteration 1169: trace = 2.412629772217689 (1.96114e-09% change) linmin: converged after 22 iterations. iteration 1170: trace = 2.412629772171407 (1.91831e-09% change) large trace change predicted (4.56178e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629772061349 (4.56173e-09% change) linmin: converged after 3 iterations. iteration 1172: trace = 2.412629771978395 (3.43833e-09% change) linmin: converged after 23 iterations. iteration 1173: trace = 2.412629771870292 (4.48072e-09% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.412629771677091 (8.0079e-09% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629771578531 (4.08518e-09% change) linmin: converged after 24 iterations. iteration 1176: trace = 2.412629771400784 (7.36734e-09% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.412629771106779 (1.21861e-08% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629770816844 (1.20174e-08% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629770432511 (1.59301e-08% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.412629770139651 (1.21386e-08% change) linmin: converged after 4 iterations. iteration 1181: trace = 2.412629769998484 (5.85117e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.412629769799624 (8.24246e-09% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.412629769495837 (1.25915e-08% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.412629769466725 (1.20666e-09% change) large trace change predicted (7.2298e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629769292296 (7.22984e-09% change) linmin: converged after 9 iterations. iteration 1186: trace = 2.412629769190405 (4.22321e-09% change) linmin: converged after 20 iterations. iteration 1187: trace = 2.412629769163527 (1.11404e-09% change) large trace change predicted (3.41711e-09%) linmin: converged after 4 iterations. iteration 1188: trace = 2.412629769081087 (3.41705e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629769046571 (1.43064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1190: trace = 2.412629769024984 (8.94739e-10% change) large trace change predicted (3.7042e-09%) linmin: converged after 18 iterations. iteration 1191: trace = 2.412629768935619 (3.70405e-09% change) linmin: converged after 18 iterations. iteration 1192: trace = 2.412629768911174 (1.01321e-09% change) large trace change predicted (3.6588e-09%) linmin: converged after 3 iterations. iteration 1193: trace = 2.412629768822903 (3.65871e-09% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.412629768713915 (4.51741e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.412629768649593 (2.66605e-09% change) linmin: converged after 20 iterations. iteration 1196: trace = 2.412629768567772 (3.39137e-09% change) large trace change predicted (1.2651e-08%) linmin: converged after 26 iterations. iteration 1197: trace = 2.412629768262549 (1.2651e-08% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.412629768204813 (2.39306e-09% change) large trace change predicted (1.49944e-08%) linmin: converged after 4 iterations. iteration 1199: trace = 2.412629767843053 (1.49944e-08% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.412629767641397 (8.35839e-09% change) linmin: converged after 3 iterations. iteration 1201: trace = 2.412629767510981 (5.40554e-09% change) large trace change predicted (1.75094e-08%) linmin: converged after 20 iterations. iteration 1202: trace = 2.412629767088543 (1.75094e-08% change) linmin: converged after 5 iterations. iteration 1203: trace = 2.412629766844732 (1.01056e-08% change) linmin: converged after 22 iterations. iteration 1204: trace = 2.412629766789431 (2.29215e-09% change) large trace change predicted (7.40759e-09%) linmin: converged after 7 iterations. iteration 1205: trace = 2.412629766610714 (7.40754e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629766545879 (2.68733e-09% change) linmin: converged after 16 iterations. iteration 1207: trace = 2.412629766491425 (2.25703e-09% change) linmin: converged after 14 iterations. iteration 1208: trace = 2.412629766410604 (3.34994e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629766322941 (3.63349e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.412629766300547 (9.28202e-10% change) large trace change predicted (4.56964e-09%) linmin: converged after 27 iterations. iteration 1211: trace = 2.4126297661903 (4.56956e-09% change) linmin: converged after 28 iterations. iteration 1212: trace = 2.412629766159679 (1.26923e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.412629766107209 (2.17479e-09% change) large trace change predicted (6.15387e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629765958738 (6.15393e-09% change) linmin: converged after 15 iterations. iteration 1215: trace = 2.412629765937721 (8.71123e-10% change) large trace change predicted (6.05422e-09%) linmin: converged after 6 iterations. iteration 1216: trace = 2.412629765791655 (6.0542e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629765696566 (3.94133e-09% change) linmin: converged after 5 iterations. iteration 1218: trace = 2.412629765652163 (1.84041e-09% change) large trace change predicted (5.42084e-09%) linmin: converged after 4 iterations. iteration 1219: trace = 2.412629765521383 (5.42067e-09% change) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629765292854 (9.47217e-09% change) linmin: converged after 27 iterations. iteration 1221: trace = 2.412629764865739 (1.77033e-08% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.412629764759303 (4.41161e-09% change) large trace change predicted (8.85154e-09%) linmin: converged after 4 iterations. iteration 1223: trace = 2.412629764545749 (8.85149e-09% change) large trace change predicted (2.17488e-08%) linmin: converged after 4 iterations. iteration 1224: trace = 2.41262976402105 (2.1748e-08% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.412629763896617 (5.15758e-09% change) large trace change predicted (1.04014e-08%) linmin: converged after 10 iterations. iteration 1226: trace = 2.412629763645672 (1.04013e-08% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629763491985 (6.37011e-09% change) linmin: converged after 12 iterations. iteration 1228: trace = 2.41262976344217 (2.06477e-09% change) large trace change predicted (4.41001e-09%) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763335776 (4.40988e-09% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.412629763253042 (3.42922e-09% change) linmin: converged after 18 iterations. iteration 1231: trace = 2.412629763224399 (1.18719e-09% change) large trace change predicted (4.93031e-09%) linmin: converged after 6 iterations. iteration 1232: trace = 2.412629763105451 (4.93024e-09% change) linmin: converged after 2 iterations. iteration 1233: trace = 2.41262976305002 (2.29751e-09% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.412629762988576 (2.54679e-09% change) linmin: converged after 19 iterations. iteration 1235: trace = 2.412629762925001 (2.63507e-09% change) linmin: converged after 17 iterations. iteration 1236: trace = 2.412629762860254 (2.68368e-09% change) linmin: converged after 3 iterations. iteration 1237: trace = 2.412629762793069 (2.78472e-09% change) large trace change predicted (6.29148e-09%) linmin: converged after 12 iterations. iteration 1238: trace = 2.412629762641278 (6.2915e-09% change) linmin: converged after 20 iterations. iteration 1239: trace = 2.412629762605794 (1.4708e-09% change) large trace change predicted (6.40834e-09%) linmin: converged after 13 iterations. iteration 1240: trace = 2.412629762451185 (6.40831e-09% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.412629762323697 (5.28417e-09% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.41262976226478 (2.44206e-09% change) large trace change predicted (7.71381e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.412629762078673 (7.71385e-09% change) large trace change predicted (1.60411e-08%) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629761691659 (1.60411e-08% change) linmin: converged after 6 iterations. iteration 1245: trace = 2.412629761629774 (2.56505e-09% change) large trace change predicted (2.57066e-08%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761009558 (2.57071e-08% change) linmin: converged after 16 iterations. iteration 1247: trace = 2.412629760625591 (1.59149e-08% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.412629760544272 (3.37055e-09% change) linmin: converged after 5 iterations. iteration 1249: trace = 2.412629760413328 (5.42744e-09% change) linmin: converged after 3 iterations. iteration 1250: trace = 2.412629760264432 (6.1715e-09% change) linmin: converged after 6 iterations. iteration 1251: trace = 2.4126297602213 (1.78775e-09% change) large trace change predicted (5.26641e-09%) linmin: converged after 21 iterations. iteration 1252: trace = 2.412629760094243 (5.26637e-09% change) linmin: converged after 19 iterations. iteration 1253: trace = 2.412629760044959 (2.04274e-09% change) linmin: converged after 3 iterations. iteration 1254: trace = 2.412629759973019 (2.9818e-09% change) linmin: converged after 8 iterations. iteration 1255: trace = 2.412629759890832 (3.40652e-09% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.412629759817618 (3.03465e-09% change) linmin: converged after 2 iterations. iteration 1257: trace = 2.412629759793456 (1.00148e-09% change) large trace change predicted (1.76927e-08%) linmin: converged after 24 iterations. iteration 1258: trace = 2.412629759366595 (1.76927e-08% change) linmin: converged after 2 iterations. iteration 1259: trace = 2.412629758539749 (3.42716e-08% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1260: trace = 2.412629757814551 (3.00584e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629757475903 (1.40365e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.412629757440358 (1.4733e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629757391596 (2.02113e-09% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.412629757294078 (4.04196e-09% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.412629757279372 (6.09525e-10% change) large trace change predicted (3.28627e-09%) linmin: converged after 4 iterations. iteration 1266: trace = 2.412629757200087 (3.28627e-09% change) linmin: converged after 5 iterations. iteration 1267: trace = 2.412629757132211 (2.81338e-09% change) linmin: converged after 8 iterations. iteration 1268: trace = 2.412629757095654 (1.51522e-09% change) large trace change predicted (3.03193e-09%) linmin: converged after 23 iterations. iteration 1269: trace = 2.41262975702251 (3.03172e-09% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.412629756895682 (5.25685e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.412629756858187 (1.55409e-09% change) large trace change predicted (1.02554e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629756610763 (1.02554e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.41262975654644 (2.66612e-09% change) large trace change predicted (9.45677e-09%) linmin: converged after 15 iterations. iteration 1274: trace = 2.412629756318284 (9.4567e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.412629756161828 (6.48488e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.41262975592667 (9.74698e-09% change) linmin: converged after 17 iterations. iteration 1277: trace = 2.412629755840423 (3.57478e-09% change) linmin: converged after 21 iterations. iteration 1278: trace = 2.412629755705498 (5.59246e-09% change) linmin: converged after 5 iterations. iteration 1279: trace = 2.412629755648356 (2.36845e-09% change) linmin: converged after 2 iterations. iteration 1280: trace = 2.412629755578045 (2.91428e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.412629755509844 (2.82683e-09% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629755406726 (4.27409e-09% change) linmin: converged after 13 iterations. iteration 1283: trace = 2.412629755393111 (5.64354e-10% change) large trace change predicted (2.95764e-09%) linmin: converged after 4 iterations. iteration 1284: trace = 2.412629755321753 (2.95765e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629755294154 (1.14395e-09% change) linmin: converged after 25 iterations. iteration 1286: trace = 2.412629755282462 (4.84616e-10% change) large trace change predicted (2.30047e-09%) linmin: converged after 5 iterations. iteration 1287: trace = 2.412629755226958 (2.30058e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629755204038 (9.49996e-10% change) linmin: converged after 8 iterations. iteration 1289: trace = 2.41262975516616 (1.56998e-09% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.412629755112498 (2.22423e-09% change) linmin: converged after 19 iterations. iteration 1291: trace = 2.412629755075933 (1.51557e-09% change) linmin: converged after 10 iterations. iteration 1292: trace = 2.412629755033724 (1.7495e-09% change) large trace change predicted (3.91898e-09%) linmin: converged after 20 iterations. iteration 1293: trace = 2.412629754939174 (3.91895e-09% change) linmin: converged after 10 iterations. iteration 1294: trace = 2.412629754877637 (2.55064e-09% change) large trace change predicted (5.84573e-09%) linmin: converged after 8 iterations. iteration 1295: trace = 2.412629754736601 (5.84572e-09% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.412629754510858 (9.35674e-09% change) linmin: converged after 23 iterations. iteration 1297: trace = 2.412629754444356 (2.75641e-09% change) linmin: converged after 5 iterations. iteration 1298: trace = 2.41262975437153 (3.01852e-09% change) large trace change predicted (8.36449e-09%) linmin: converged after 14 iterations. iteration 1299: trace = 2.412629754169724 (8.36457e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.412629754144384 (1.0503e-09% change) large trace change predicted (3.95064e-09%) linmin: converged after 25 iterations. iteration 1301: trace = 2.412629754049071 (3.95059e-09% change) linmin: converged after 6 iterations. iteration 1302: trace = 2.412629753998836 (2.08216e-09% change) linmin: converged after 8 iterations. iteration 1303: trace = 2.41262975395666 (1.74815e-09% change) linmin: converged after 18 iterations. iteration 1304: trace = 2.412629753934212 (9.30411e-10% change) large trace change predicted (2.17887e-09%) linmin: converged after 27 iterations. iteration 1305: trace = 2.412629753881643 (2.17891e-09% change) linmin: converged after 20 iterations. iteration 1306: trace = 2.41262975385131 (1.25726e-09% change) linmin: converged after 33 iterations. iteration 1307: trace = 2.412629753796222 (2.28333e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.412629753756786 (1.63457e-09% change) linmin: converged after 17 iterations. iteration 1309: trace = 2.412629753743622 (5.45616e-10% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629753729929 (5.67538e-10% change) large trace change predicted (1.55783e-09%) linmin: converged after 4 iterations. iteration 1311: trace = 2.412629753692345 (1.55781e-09% change) linmin: converged after 9 iterations. iteration 1312: trace = 2.412629753684235 (3.36146e-10% change) large trace change predicted (1.9634e-09%) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629753636868 (1.96329e-09% change) linmin: converged after 16 iterations. iteration 1314: trace = 2.412629753584214 (2.18245e-09% change) linmin: converged after 9 iterations. iteration 1315: trace = 2.412629753562221 (9.11581e-10% change) large trace change predicted (2.65107e-09%) linmin: converged after 4 iterations. iteration 1316: trace = 2.412629753498263 (2.65095e-09% change) linmin: converged after 6 iterations. iteration 1317: trace = 2.412629753445835 (2.17306e-09% change) linmin: converged after 9 iterations. iteration 1318: trace = 2.412629753390819 (2.28035e-09% change) large trace change predicted (6.89292e-09%) linmin: converged after 12 iterations. iteration 1319: trace = 2.412629753224519 (6.89291e-09% change) linmin: converged after 24 iterations. iteration 1320: trace = 2.412629753099822 (5.16852e-09% change) linmin: converged after 15 iterations. iteration 1321: trace = 2.412629753058134 (1.72789e-09% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.412629752975014 (3.44519e-09% change) linmin: converged after 18 iterations. iteration 1323: trace = 2.41262975293754 (1.55326e-09% change) linmin: converged after 16 iterations. iteration 1324: trace = 2.41262975292436 (5.46279e-10% change) large trace change predicted (2.35618e-09%) linmin: converged after 23 iterations. iteration 1325: trace = 2.412629752867514 (2.35621e-09% change) linmin: converged after 8 iterations. iteration 1326: trace = 2.412629752848756 (7.77487e-10% change) linmin: converged after 7 iterations. iteration 1327: trace = 2.412629752826945 (9.04016e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629752800048 (1.11483e-09% change) linmin: converged after 6 iterations. iteration 1329: trace = 2.412629752795185 (2.01573e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629752790479 (1.95057e-10% change) large trace change predicted (9.55535e-10%) linmin: converged after 9 iterations. iteration 1331: trace = 2.412629752767428 (9.55445e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.412629752755273 (5.03814e-10% change) linmin: converged after 15 iterations. iteration 1333: trace = 2.412629752736632 (7.72609e-10% change) linmin: converged after 7 iterations. iteration 1334: trace = 2.412629752703226 (1.38466e-09% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.412629752678001 (1.04553e-09% change) linmin: converged after 7 iterations. iteration 1336: trace = 2.41262975265578 (9.21042e-10% change) large trace change predicted (3.37974e-09%) linmin: converged after 4 iterations. iteration 1337: trace = 2.41262975257424 (3.3797e-09% change) linmin: converged after 2 iterations. iteration 1338: trace = 2.412629752538839 (1.46732e-09% change) linmin: converged after 11 iterations. iteration 1339: trace = 2.412629752494285 (1.84672e-09% change) large trace change predicted (4.33282e-09%) linmin: converged after 9 iterations. iteration 1340: trace = 2.412629752389752 (4.33273e-09% change) linmin: converged after 12 iterations. iteration 1341: trace = 2.41262975227677 (4.68292e-09% change) linmin: converged after 10 iterations. iteration 1342: trace = 2.412629752216844 (2.48386e-09% change) linmin: converged after 21 iterations. iteration 1343: trace = 2.412629752136282 (3.33919e-09% change) linmin: converged after 9 iterations. iteration 1344: trace = 2.412629752115947 (8.42831e-10% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.412629752083479 (1.34574e-09% change) linmin: converged after 7 iterations. iteration 1346: trace = 2.412629752053459 (1.24428e-09% change) linmin: converged after 10 iterations. iteration 1347: trace = 2.412629752043635 (4.07196e-10% change) large trace change predicted (1.17762e-09%) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629752015224 (1.1776e-09% change) linmin: converged after 5 iterations. iteration 1349: trace = 2.41262975198604 (1.20966e-09% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.412629751981057 (2.06525e-10% change) large trace change predicted (7.71756e-10%) linmin: converged after 5 iterations. iteration 1351: trace = 2.412629751962437 (7.71781e-10% change) linmin: converged after 2 iterations. iteration 1352: trace = 2.412629751934784 (1.14618e-09% change) linmin: converged after 13 iterations. iteration 1353: trace = 2.412629751924951 (4.07565e-10% change) large trace change predicted (2.27047e-09%) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629751870173 (2.27045e-09% change) linmin: converged after 22 iterations. iteration 1355: trace = 2.41262975183336 (1.52585e-09% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629751817247 (6.67837e-10% change) linmin: converged after 7 iterations. iteration 1357: trace = 2.412629751788747 (1.18132e-09% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.412629751737714 (2.11522e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629751709765 (1.15844e-09% change) large trace change predicted (2.44778e-09%) linmin: converged after 5 iterations. iteration 1360: trace = 2.412629751650712 (2.44767e-09% change) large trace change predicted (6.15912e-09%) linmin: converged after 6 iterations. iteration 1361: trace = 2.412629751502116 (6.15908e-09% change) linmin: converged after 6 iterations. iteration 1362: trace = 2.412629751473994 (1.16563e-09% change) large trace change predicted (2.98533e-09%) linmin: converged after 6 iterations. iteration 1363: trace = 2.412629751401969 (2.98533e-09% change) linmin: converged after 23 iterations. iteration 1364: trace = 2.412629751273424 (5.32801e-09% change) linmin: converged after 5 iterations. iteration 1365: trace = 2.412629751242358 (1.28761e-09% change) large trace change predicted (3.23907e-09%) linmin: converged after 6 iterations. iteration 1366: trace = 2.412629751164213 (3.23904e-09% change) linmin: converged after 25 iterations. iteration 1367: trace = 2.412629751115151 (2.03352e-09% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.41262975109976 (6.37963e-10% change) linmin: converged after 13 iterations. iteration 1369: trace = 2.412629751074046 (1.06578e-09% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.412629751045275 (1.19254e-09% change) linmin: converged after 3 iterations. iteration 1371: trace = 2.412629751029682 (6.46301e-10% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.41262975101026 (8.05005e-10% change) linmin: converged after 17 iterations. iteration 1373: trace = 2.412629750975017 (1.46079e-09% change) linmin: converged after 13 iterations. iteration 1374: trace = 2.41262975096767 (3.04523e-10% change) large trace change predicted (6.34961e-10%) linmin: converged after 4 iterations. iteration 1375: trace = 2.41262975095235 (6.34981e-10% change) large trace change predicted (1.56294e-09%) linmin: converged after 4 iterations. iteration 1376: trace = 2.41262975091464 (1.56304e-09% change) linmin: converged after 13 iterations. iteration 1377: trace = 2.412629750907499 (2.95982e-10% change) large trace change predicted (2.51112e-09%) linmin: converged after 2 iterations. iteration 1378: trace = 2.412629750846915 (2.5111e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.412629750822372 (1.01727e-09% change) linmin: converged after 2 iterations. iteration 1380: trace = 2.412629750787525 (1.44437e-09% change) linmin: converged after 3 iterations. iteration 1381: trace = 2.412629750735961 (2.13724e-09% change) linmin: converged after 28 iterations. iteration 1382: trace = 2.412629750686041 (2.06911e-09% change) linmin: converged after 3 iterations. iteration 1383: trace = 2.412629750652544 (1.38839e-09% change) large trace change predicted (4.3807e-09%) linmin: converged after 25 iterations. iteration 1384: trace = 2.412629750546855 (4.38068e-09% change) linmin: converged after 7 iterations. iteration 1385: trace = 2.412629750387012 (6.62525e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.412629750366087 (8.67294e-10% change) large trace change predicted (4.27266e-09%) linmin: converged after 29 iterations. iteration 1387: trace = 2.412629750263004 (4.27265e-09% change) linmin: converged after 24 iterations. iteration 1388: trace = 2.412629750210093 (2.19308e-09% change) linmin: converged after 20 iterations. iteration 1389: trace = 2.412629750186037 (9.97081e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.412629750143495 (1.76332e-09% change) linmin: converged after 8 iterations. iteration 1391: trace = 2.412629750106079 (1.55081e-09% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.412629750095962 (4.19345e-10% change) large trace change predicted (1.1752e-09%) linmin: converged after 5 iterations. iteration 1393: trace = 2.412629750067611 (1.17513e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629750053986 (5.64704e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629750040806 (5.46297e-10% change) large trace change predicted (1.25483e-09%) linmin: converged after 6 iterations. iteration 1396: trace = 2.412629750010534 (1.25472e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.412629749969502 (1.70072e-09% change) linmin: converged after 10 iterations. iteration 1398: trace = 2.412629749905006 (2.67328e-09% change) large trace change predicted (3.49327e-08%) linmin: converged after 3 iterations. iteration 1399: trace = 2.412629749062203 (3.49329e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1400: trace = 2.412629748818978 (1.00813e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629748703175 (4.79984e-09% change) linmin: converged after 6 iterations. iteration 1402: trace = 2.412629748595444 (4.4653e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.412629748518818 (3.17603e-09% change) linmin: converged after 3 iterations. iteration 1404: trace = 2.412629748454176 (2.67934e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.412629748435982 (7.54129e-10% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.41262974840364 (1.3405e-09% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.412629748368111 (1.47266e-09% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.412629748346367 (9.01236e-10% change) linmin: converged after 2 iterations. iteration 1409: trace = 2.412629748310911 (1.46958e-09% change) linmin: converged after 15 iterations. iteration 1410: trace = 2.412629748288369 (9.34332e-10% change) linmin: converged after 17 iterations. iteration 1411: trace = 2.412629748277399 (4.54704e-10% change) linmin: converged after 7 iterations. iteration 1412: trace = 2.412629748257625 (8.1962e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629748254446 (1.31756e-10% change) large trace change predicted (2.789e-10%) linmin: converged after 13 iterations. iteration 1414: trace = 2.412629748247716 (2.78956e-10% change) large trace change predicted (1.31621e-09%) linmin: converged after 2 iterations. iteration 1415: trace = 2.412629748215961 (1.3162e-09% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629748204464 (4.76535e-10% change) large trace change predicted (1.73027e-09%) linmin: converged after 18 iterations. iteration 1417: trace = 2.412629748162717 (1.73032e-09% change) linmin: converged after 23 iterations. iteration 1418: trace = 2.412629748134357 (1.17552e-09% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.412629748083245 (2.11848e-09% change) linmin: converged after 14 iterations. iteration 1420: trace = 2.412629748043848 (1.63296e-09% change) linmin: converged after 20 iterations. iteration 1421: trace = 2.412629747987947 (2.31704e-09% change) linmin: converged after 12 iterations. iteration 1422: trace = 2.412629747971979 (6.61837e-10% change) large trace change predicted (1.37482e-09%) linmin: converged after 15 iterations. iteration 1423: trace = 2.412629747938809 (1.37486e-09% change) linmin: converged after 21 iterations. iteration 1424: trace = 2.412629747920434 (7.61584e-10% change) linmin: converged after 3 iterations. iteration 1425: trace = 2.412629747900895 (8.09883e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629747895985 (2.03506e-10% change) large trace change predicted (7.66327e-10%) linmin: converged after 8 iterations. iteration 1427: trace = 2.412629747877495 (7.66388e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629747874149 (1.38696e-10% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629747870973 (1.31627e-10% change) large trace change predicted (4.546e-10%) linmin: converged after 4 iterations. iteration 1430: trace = 2.412629747860004 (4.54668e-10% change) linmin: converged after 9 iterations. iteration 1431: trace = 2.412629747848362 (4.82517e-10% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.412629747843392 (2.06009e-10% change) large trace change predicted (7.64629e-10%) linmin: converged after 11 iterations. iteration 1433: trace = 2.412629747824942 (7.64713e-10% change) linmin: converged after 9 iterations. iteration 1434: trace = 2.412629747819464 (2.27067e-10% change) large trace change predicted (8.71153e-10%) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629747798447 (8.71123e-10% change) linmin: converged after 6 iterations. iteration 1436: trace = 2.412629747784376 (5.8324e-10% change) linmin: converged after 3 iterations. iteration 1437: trace = 2.412629747764643 (8.17909e-10% change) linmin: converged after 6 iterations. iteration 1438: trace = 2.412629747760028 (1.91247e-10% change) large trace change predicted (1.41585e-09%) linmin: converged after 5 iterations. iteration 1439: trace = 2.412629747725869 (1.41586e-09% change) linmin: converged after 7 iterations. iteration 1440: trace = 2.412629747707911 (7.44318e-10% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.412629747684258 (9.80404e-10% change) linmin: converged after 15 iterations. iteration 1442: trace = 2.412629747655675 (1.18474e-09% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.412629747617522 (1.58139e-09% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.412629747607043 (4.34328e-10% change) large trace change predicted (1.06005e-09%) linmin: converged after 15 iterations. iteration 1445: trace = 2.412629747581468 (1.06005e-09% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629747567704 (5.70484e-10% change) linmin: converged after 22 iterations. iteration 1447: trace = 2.412629747558015 (4.01601e-10% change) linmin: converged after 7 iterations. iteration 1448: trace = 2.412629747551829 (2.56389e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.412629747544262 (3.13634e-10% change) linmin: converged after 6 iterations. iteration 1450: trace = 2.412629747539715 (1.88468e-10% change) large trace change predicted (4.48538e-10%) linmin: converged after 2 iterations. iteration 1451: trace = 2.412629747528893 (4.48557e-10% change) linmin: converged after 4 iterations. iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 11.149043321609497 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507714551633548 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.48527977029592 (0.89865% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301122559681 (0.483148% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539232112235 (0.0712618% change) large trace change predicted (0.219366%) linmin: converged after 3 iterations. iteration 5: trace = 2.466060133847849 (0.221934% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464718420203901 (0.054422% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463636719395522 (0.043897% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594065362243 (0.0423307% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462287934541995 (0.012432% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461753185618692 (0.0217199% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461485402974851 (0.0108783% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461341152138847 (0.00586049% change) large trace change predicted (0.012983%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021024881487 (0.0130071% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940680168531 (0.00326474% change) large trace change predicted (0.00700935%) linmin: converged after 4 iterations. iteration 15: trace = 2.460768388846517 (0.00700128% change) linmin: converged after 4 iterations. iteration 16: trace = 2.46065647507257 (0.00454802% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572010614669 (0.00343266% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460447819716967 (0.00504736% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460370644233083 (0.00313669% change) large trace change predicted (0.00795705%) linmin: converged after 3 iterations. iteration 20: trace = 2.46017460068774 (0.00796837% change) linmin: converged after 3 iterations. iteration 21: trace = 2.45992055593473 (0.0103268% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459713842813738 (0.0084036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459366490491965 (0.0141227% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092658308015 (0.0111349% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458659817174203 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458376746196281 (0.0115139% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263627508388 (0.00460146% change) large trace change predicted (0.0113346%) linmin: converged after 4 iterations. iteration 28: trace = 2.457987269830834 (0.0112426% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457775312008254 (0.0086236% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457672500730186 (0.00418319% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457501693309859 (0.00695021% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457365668694102 (0.00553523% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457317190344751 (0.0019728% change) large trace change predicted (0.00496167%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195706844922 (0.00494387% change) linmin: converged after 4 iterations. iteration 35: trace = 2.45714422432063 (0.0020952% change) linmin: converged after 4 iterations. iteration 36: trace = 2.45708219454866 (0.0025245% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026720594834 (0.00225774% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456984567037049 (0.00171565% change) linmin: converged after 15 iterations. iteration 39: trace = 2.456939445048623 (0.0018365% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456869640059288 (0.00284118% change) linmin: converged after 3 iterations. iteration 41: trace = 2.456833157655992 (0.00148493% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456763705423465 (0.00282694% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456634692545203 (0.00525147% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456572871950935 (0.00251651% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461041145713 (0.00455241% change) large trace change predicted (0.00975498%) linmin: converged after 4 iterations. iteration 46: trace = 2.456218757351032 (0.00986361% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161867025414 (0.0023162% change) large trace change predicted (0.0100925%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911103666164 (0.0102101% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455767110949883 (0.00586328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455708319050391 (0.00239406% change) large trace change predicted (0.00907578%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484719350746 (0.00910572% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407549209439 (0.00314282% change) linmin: converged after 13 iterations. iteration 53: trace = 2.45534593290585 (0.00250944% change) large trace change predicted (0.0050887%) linmin: converged after 3 iterations. iteration 54: trace = 2.455220696591177 (0.00510069% change) linmin: converged after 4 iterations. iteration 55: trace = 2.455180284408074 (0.00164598% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132997929369 (0.00192601% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455083906425762 (0.00199957% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455066887770354 (0.000693203% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455040101706986 (0.00109106% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008609947706 (0.00128275% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454995317181518 (0.000541456% change) large trace change predicted (0.00171729%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953090393324 (0.00172005% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454877422579907 (0.0030823% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454855121962825 (0.000908425% change) large trace change predicted (0.00569416%) linmin: converged after 4 iterations. iteration 65: trace = 2.454715532943804 (0.0056864% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454625694251667 (0.00365991% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457607775767 (0.00202137% change) large trace change predicted (0.0062662%) linmin: converged after 4 iterations. iteration 68: trace = 2.454422750902177 (0.00624677% change) linmin: converged after 4 iterations. iteration 69: trace = 2.454354229883569 (0.00279178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327706739201 (0.00108066% change) linmin: converged after 5 iterations. iteration 71: trace = 2.454278091582933 (0.00202156% change) linmin: converged after 3 iterations. iteration 72: trace = 2.45424373064204 (0.00140005% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454222970770071 (0.00084588% change) linmin: converged after 4 iterations. iteration 74: trace = 2.454185533507981 (0.00152543% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454171305226925 (0.000579757% change) linmin: converged after 3 iterations. iteration 76: trace = 2.45415334717542 (0.000731739% change) linmin: converged after 3 iterations. iteration 77: trace = 2.45413605986308 (0.000704413% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128426043217 (0.00031106% change) linmin: converged after 3 iterations. iteration 79: trace = 2.454117302998195 (0.000453239% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454101532760824 (0.000642605% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096037606968 (0.000223917% change) large trace change predicted (0.000569323%) linmin: converged after 3 iterations. iteration 82: trace = 2.454082067399763 (0.000569262% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062987198802 (0.000777491% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454051739425085 (0.000458334% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031604529348 (0.000820479% change) linmin: converged after 17 iterations. iteration 86: trace = 2.454004746007284 (0.00109447% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991995852274 (0.000519567% change) large trace change predicted (0.00138546%) linmin: converged after 4 iterations. iteration 88: trace = 2.453958007958718 (0.00138501% change) linmin: converged after 7 iterations. iteration 89: trace = 2.453919475118923 (0.00157024% change) linmin: converged after 4 iterations. iteration 90: trace = 2.45389509654625 (0.000993459% change) linmin: converged after 5 iterations. iteration 91: trace = 2.453860912196914 (0.00139307% change) linmin: converged after 8 iterations. iteration 92: trace = 2.453828045147867 (0.00133941% change) linmin: converged after 3 iterations. iteration 93: trace = 2.45382085605784 (0.000292975% change) large trace change predicted (0.00127944%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789463063369 (0.00127936% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782532229236 (0.000282455% change) large trace change predicted (0.000822373%) linmin: converged after 4 iterations. iteration 96: trace = 2.453762367988812 (0.000821765% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746815140803 (0.000633839% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453734287686709 (0.000510545% change) linmin: converged after 13 iterations. iteration 99: trace = 2.453728236162154 (0.000246625% change) large trace change predicted (0.000526958%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715304161855 (0.000527036% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453709000793436 (0.000256891% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701670772158 (0.000298733% change) large trace change predicted (0.000652204%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685674496181 (0.000651926% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674834695103 (0.000441777% change) large trace change predicted (0.000946993%) linmin: converged after 4 iterations. iteration 105: trace = 2.453651609675684 (0.000946545% change) large trace change predicted (0.00211292%) linmin: converged after 3 iterations. iteration 106: trace = 2.45359960969257 (0.00211931% change) linmin: converged after 5 iterations. iteration 107: trace = 2.45358312717749 (0.000671771% change) large trace change predicted (0.00179328%) linmin: converged after 3 iterations. iteration 108: trace = 2.453538953603838 (0.00180039% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478212583598 (0.00247568% change) linmin: converged after 3 iterations. iteration 110: trace = 2.453465057397219 (0.000536187% change) large trace change predicted (0.00221868%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410536309189 (0.00222223% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453386131071423 (0.000994752% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376698178058 (0.000384485% change) large trace change predicted (0.00113233%) linmin: converged after 3 iterations. iteration 114: trace = 2.453348916706636 (0.00113238% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338668721301 (0.000417715% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332850971714 (0.00041409% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315900344541 (0.000513971% change) linmin: converged after 5 iterations. iteration 118: trace = 2.453302028512225 (0.000565434% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296318097463 (0.000232765% change) large trace change predicted (0.000597339%) linmin: converged after 3 iterations. iteration 120: trace = 2.453281660805391 (0.000597455% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275733121448 (0.000241623% change) linmin: converged after 3 iterations. iteration 122: trace = 2.453264048572746 (0.000476285% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247330884551 (0.000681449% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453237120368956 (0.000416205% change) large trace change predicted (0.00104381%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211463999542 (0.00104582% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453162178756833 (0.00200903% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453138441524889 (0.000967622% change) large trace change predicted (0.00310521%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061970998888 (0.0031173% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970240929354 (0.00373948% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952080637691 (0.000740342% change) linmin: converged after 4 iterations. iteration 131: trace = 2.452919428590261 (0.00133114% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289691913365 (0.000917664% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890157235454 (0.00027567% change) large trace change predicted (0.00125961%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859246188432 (0.0012602% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842821226226 (0.000669627% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452828921086942 (0.000566697% change) linmin: converged after 6 iterations. iteration 137: trace = 2.452814395156807 (0.000592213% change) linmin: converged after 11 iterations. iteration 138: trace = 2.452798068000915 (0.000665652% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783009252627 (0.000613944% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.452772927790512 (0.000411022% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765649094527 (0.000296754% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757495527033 (0.000332424% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452750554577612 (0.000282986% change) linmin: converged after 5 iterations. iteration 144: trace = 2.452740327764536 (0.000416954% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727668231187 (0.00051614% change) linmin: converged after 6 iterations. iteration 146: trace = 2.452721604178562 (0.000247237% change) large trace change predicted (0.000693753%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704589129357 (0.000693724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452684248854568 (0.000829303% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267614319453 (0.000330482% change) large trace change predicted (0.000964309%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652549290144 (0.00096197% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626803415319 (0.00104972% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452616705048951 (0.000411738% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596980902835 (0.000804211% change) linmin: converged after 9 iterations. iteration 154: trace = 2.452583108816331 (0.00056561% change) linmin: converged after 20 iterations. iteration 155: trace = 2.452578304129146 (0.000195903% change) linmin: converged after 4 iterations. iteration 156: trace = 2.45256876674269 (0.000388873% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452560262649758 (0.000346743% change) linmin: converged after 3 iterations. iteration 158: trace = 2.452558275638176 (8.10179e-05% change) large trace change predicted (0.000299932%) linmin: converged after 3 iterations. iteration 159: trace = 2.452550921985148 (0.000299836% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546610102247 (0.000175812% change) linmin: converged after 4 iterations. iteration 161: trace = 2.452544820292672 (7.29776e-05% change) large trace change predicted (0.000200659%) linmin: converged after 3 iterations. iteration 162: trace = 2.452539898709751 (0.000200673% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452536610230977 (0.000134085% change) linmin: converged after 3 iterations. iteration 164: trace = 2.452531722835503 (0.000199279% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526119860102 (0.000228457% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452518763737087 (0.000299941% change) linmin: converged after 7 iterations. iteration 167: trace = 2.452513062704793 (0.000232456% change) large trace change predicted (0.000772359%) linmin: converged after 3 iterations. iteration 168: trace = 2.452494092222757 (0.000773515% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452489305340419 (0.000195184% change) large trace change predicted (0.000667115%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472924104565 (0.000667945% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452456769929521 (0.000658691% change) linmin: converged after 3 iterations. iteration 172: trace = 2.45245074264355 (0.000245766% change) large trace change predicted (0.00062741%) linmin: converged after 3 iterations. iteration 173: trace = 2.452435341557268 (0.00062799% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422726674879 (0.000514383% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452419119529659 (0.000147085% change) large trace change predicted (0.000389908%) linmin: converged after 5 iterations. iteration 176: trace = 2.452409555498929 (0.000389984% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400310371281 (0.000376982% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397904127026 (9.8118e-05% change) large trace change predicted (0.000258068%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391574551021 (0.000258098% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387378243408 (0.000171111% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452386157536499 (4.97763e-05% change) large trace change predicted (0.000181182%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381714103697 (0.000181188% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452377832663401 (0.000158272% change) linmin: converged after 2 iterations. iteration 184: trace = 2.452376974923948 (3.49758e-05% change) large trace change predicted (0.000153338%) linmin: converged after 3 iterations. iteration 185: trace = 2.452373214647471 (0.000153332% change) linmin: converged after 12 iterations. iteration 186: trace = 2.452368906581191 (0.000175669% change) linmin: converged after 5 iterations. iteration 187: trace = 2.452367047636557 (7.5802e-05% change) large trace change predicted (0.000415294%) linmin: converged after 4 iterations. iteration 188: trace = 2.452356864268545 (0.000415247% change) linmin: converged after 5 iterations. iteration 189: trace = 2.452348944393626 (0.00032295% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452345788864918 (0.000128674% change) large trace change predicted (0.000553043%) linmin: converged after 6 iterations. iteration 191: trace = 2.45233223540891 (0.000552675% change) linmin: converged after 3 iterations. iteration 192: trace = 2.452324837424832 (0.000301672% change) linmin: converged after 3 iterations. iteration 193: trace = 2.452318319053605 (0.000265804% change) linmin: converged after 3 iterations. iteration 194: trace = 2.45231070137328 (0.000310632% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452305458110806 (0.000213809% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300587509159 (0.000198613% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452294091542742 (0.000264893% change) linmin: converged after 4 iterations. iteration 198: trace = 2.452292912070035 (4.80967e-05% change) large trace change predicted (0.000207507%) linmin: converged after 3 iterations. iteration 199: trace = 2.452287823960394 (0.000207484% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285260995919 (0.000104513% change) linmin: converged after 4 iterations. iteration 201: trace = 2.4522837884962 (6.0046e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.452281464401078 (9.47727e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.45227843727108 (0.000123441% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452277298708132 (4.64288e-05% change) large trace change predicted (0.000105064%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274721714739 (0.000105086% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269795239167 (0.000200894% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452267937130898 (7.5771e-05% change) large trace change predicted (0.000293161%) linmin: converged after 3 iterations. iteration 208: trace = 2.45226074358603 (0.000293343% change) linmin: converged after 3 iterations. iteration 209: trace = 2.452249802005526 (0.000446184% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452245457700151 (0.000177156% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452238289401174 (0.000292316% change) linmin: converged after 4 iterations. iteration 212: trace = 2.452234390465577 (0.000158995% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452232924507626 (5.97805e-05% change) large trace change predicted (0.000175069%) linmin: converged after 4 iterations. iteration 214: trace = 2.45222863148775 (0.000175066% change) linmin: converged after 5 iterations. iteration 215: trace = 2.452226721219942 (7.78993e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.45222534804256 (5.59972e-05% change) linmin: converged after 9 iterations. iteration 217: trace = 2.452222868519007 (0.000101113% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452220762859493 (8.58674e-05% change) linmin: converged after 7 iterations. iteration 219: trace = 2.452219636720598 (4.59232e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452217637205398 (8.1539e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452214951097599 (0.000109538% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452213930282483 (4.16283e-05% change) large trace change predicted (0.000173197%) linmin: converged after 3 iterations. iteration 223: trace = 2.452209680537733 (0.000173303% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452207756844769 (7.84474e-05% change) large trace change predicted (0.000170329%) linmin: converged after 4 iterations. iteration 225: trace = 2.452203577183352 (0.000170445% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452199205407226 (0.00017828% change) linmin: converged after 14 iterations. iteration 227: trace = 2.452195167792297 (0.000164653% change) linmin: converged after 3 iterations. iteration 228: trace = 2.45219226877402 (0.000118221% change) large trace change predicted (0.000333656%) linmin: converged after 5 iterations. iteration 229: trace = 2.452184081873663 (0.000333861% change) linmin: converged after 4 iterations. iteration 230: trace = 2.452181174446548 (0.000118565% change) linmin: converged after 3 iterations. iteration 231: trace = 2.45217666841967 (0.000183756% change) linmin: converged after 13 iterations. iteration 232: trace = 2.452169564390597 (0.000289703% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452168023595653 (6.2834e-05% change) large trace change predicted (0.000128892%) linmin: converged after 3 iterations. iteration 234: trace = 2.452164861203628 (0.000128963% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452162710524145 (8.77054e-05% change) linmin: converged after 13 iterations. iteration 236: trace = 2.452161604180763 (4.51171e-05% change) large trace change predicted (9.08194e-05%) linmin: converged after 3 iterations. iteration 237: trace = 2.452159376422024 (9.08488e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452156221407155 (0.000128663% change) linmin: converged after 4 iterations. iteration 239: trace = 2.452155384533807 (3.41281e-05% change) large trace change predicted (9.34824e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.452153091713957 (9.35023e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.452150426821385 (0.000108676% change) linmin: converged after 3 iterations. iteration 242: trace = 2.452149526342722 (3.6722e-05% change) large trace change predicted (0.000149021%) linmin: converged after 3 iterations. iteration 243: trace = 2.452145872560898 (0.000149003% change) linmin: converged after 5 iterations. iteration 244: trace = 2.45214298620249 (0.000117708% change) linmin: converged after 4 iterations. iteration 245: trace = 2.452141482734362 (6.13124e-05% change) large trace change predicted (0.00022647%) linmin: converged after 5 iterations. iteration 246: trace = 2.452135931910722 (0.000226367% change) linmin: converged after 4 iterations. iteration 247: trace = 2.452127131915843 (0.000358871% change) linmin: converged after 3 iterations. iteration 248: trace = 2.452124408591246 (0.00011106% change) large trace change predicted (0.000415328%) linmin: converged after 6 iterations. iteration 249: trace = 2.452114234002913 (0.00041493% change) linmin: converged after 3 iterations. iteration 250: trace = 2.452107914802179 (0.000257705% change) linmin: converged after 6 iterations. iteration 251: trace = 2.452104602178825 (0.000135093% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452098395005796 (0.000253137% change) linmin: converged after 3 iterations. iteration 253: trace = 2.45209443064365 (0.000161672% change) linmin: converged after 3 iterations. iteration 254: trace = 2.452092772278772 (6.76306e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.452090136890444 (0.000107475% change) linmin: converged after 3 iterations. iteration 256: trace = 2.452088641061405 (6.10022e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.452087588706631 (4.29167e-05% change) large trace change predicted (8.8259e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.452085424452013 (8.82618e-05% change) linmin: converged after 10 iterations. iteration 259: trace = 2.452084439140825 (4.01826e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.452083425783212 (4.13264e-05% change) large trace change predicted (0.000113263%) linmin: converged after 3 iterations. iteration 261: trace = 2.452080648183233 (0.000113275% change) linmin: converged after 3 iterations. iteration 262: trace = 2.4520794724905 (4.79468e-05% change) large trace change predicted (0.000152164%) linmin: converged after 3 iterations. iteration 263: trace = 2.452075740472779 (0.000152198% change) linmin: converged after 4 iterations. iteration 264: trace = 2.45207119873577 (0.00018522% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452068341076811 (0.000116541% change) linmin: converged after 4 iterations. iteration 266: trace = 2.452065201190418 (0.000128051% change) large trace change predicted (0.00034389%) linmin: converged after 3 iterations. iteration 267: trace = 2.452056759774224 (0.000344258% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452053194509233 (0.000145399% change) linmin: converged after 4 iterations. iteration 269: trace = 2.452047723607067 (0.000223115% change) linmin: converged after 5 iterations. iteration 270: trace = 2.452038853922894 (0.000361726% change) linmin: converged after 13 iterations. iteration 271: trace = 2.4520373990617 (5.93327e-05% change) large trace change predicted (0.000248269%) linmin: converged after 3 iterations. iteration 272: trace = 2.452031304744767 (0.000248541% change) linmin: converged after 4 iterations. iteration 273: trace = 2.452027971885439 (0.000135922% change) linmin: converged after 3 iterations. iteration 274: trace = 2.45202680788906 (4.74708e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452024540324916 (9.24772e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.45202209499959 (9.97268e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452021538766743 (2.26847e-05% change) large trace change predicted (0.000116655%) linmin: converged after 4 iterations. iteration 278: trace = 2.452018677919659 (0.000116673% change) linmin: converged after 3 iterations. iteration 279: trace = 2.452014190357183 (0.000183015% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.45201075481463 (0.000140111% change) linmin: converged after 2 iterations. iteration 281: trace = 2.452008901592415 (7.55797e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452007292555813 (6.56212e-05% change) linmin: converged after 5 iterations. iteration 283: trace = 2.452006558444449 (2.99392e-05% change) large trace change predicted (9.44662e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.452004242936367 (9.44332e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.452003286760036 (3.89957e-05% change) large trace change predicted (7.91395e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452001347150246 (7.91031e-05% change) large trace change predicted (0.000166942%) linmin: converged after 4 iterations. iteration 287: trace = 2.451997258366128 (0.000166753% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995532160505 (7.04e-05% change) large trace change predicted (0.000147482%) linmin: converged after 4 iterations. iteration 289: trace = 2.451991921852341 (0.00014724% change) linmin: converged after 3 iterations. iteration 290: trace = 2.451986673104741 (0.000214061% change) linmin: converged after 27 iterations. iteration 291: trace = 2.451984254947535 (9.86204e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.4519805314833 (0.000151855% change) linmin: converged after 4 iterations. iteration 293: trace = 2.45197502893073 (0.000224413% change) linmin: converged after 4 iterations. iteration 294: trace = 2.451974197928204 (3.38912e-05% change) large trace change predicted (0.000134969%) linmin: converged after 3 iterations. iteration 295: trace = 2.451970890075463 (0.000134906% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451969462637186 (5.8216e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451968793048388 (2.73082e-05% change) large trace change predicted (7.04748e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.451967065141929 (7.04702e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451965799783021 (5.16059e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.451965354926958 (1.81428e-05% change) large trace change predicted (4.14451e-05%) linmin: converged after 4 iterations. iteration 301: trace = 2.451964338537992 (4.1452e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.451963626062085 (2.90574e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.45196286090635 (3.12058e-05% change) large trace change predicted (7.04866e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451961132076766 (7.0508e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451960060694344 (4.36949e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.45195929368572 (3.12815e-05% change) large trace change predicted (0.000111025%) linmin: converged after 3 iterations. iteration 307: trace = 2.451956570051481 (0.00011108% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953818305342 (0.000112227% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451951653626621 (8.82839e-05% change) large trace change predicted (0.000184665%) linmin: converged after 4 iterations. iteration 310: trace = 2.451947121582508 (0.000184834% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945166011394 (7.97559e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451942435218912 (0.000111373% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939405208457 (0.000123576% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938634410761 (3.14363e-05% change) large trace change predicted (7.13993e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936883520887 (7.14084e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935333125655 (6.32315e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934772183667 (2.28775e-05% change) large trace change predicted (5.68182e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.45193337891416 (5.68233e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.451932197398721 (4.81871e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.451931697025995 (2.04073e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451931013561718 (2.78745e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451930073490786 (3.834e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.4519298008317 (1.11202e-05% change) large trace change predicted (4.21488e-05%) linmin: converged after 3 iterations. iteration 324: trace = 2.451928767419563 (4.21469e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.451927902052323 (3.52933e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451927460932055 (1.79908e-05% change) large trace change predicted (5.36764e-05%) linmin: converged after 4 iterations. iteration 327: trace = 2.451926145023389 (5.36684e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924454118065 (6.89624e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.45192343736788 (4.14674e-05% change) large trace change predicted (8.71433e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.45192130196901 (8.70908e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.451918670153966 (0.000107337% change) linmin: converged after 4 iterations. iteration 332: trace = 2.45191779130337 (3.58434e-05% change) large trace change predicted (9.23841e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915526678028 (9.23614e-05% change) linmin: converged after 3 iterations. iteration 334: trace = 2.451914426183707 (4.48831e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451913409272041 (4.14742e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.451912256784357 (4.70036e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451911186131378 (4.3666e-05% change) linmin: converged after 2 iterations. iteration 338: trace = 2.451910850466922 (1.36899e-05% change) large trace change predicted (3.93869e-05%) linmin: converged after 4 iterations. iteration 339: trace = 2.451909884741904 (3.93866e-05% change) linmin: converged after 3 iterations. iteration 340: trace = 2.45190963707967 (1.01008e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.451909148391919 (1.99309e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.45190827063069 (3.57991e-05% change) linmin: converged after 7 iterations. iteration 343: trace = 2.451908059504865 (8.61067e-06% change) large trace change predicted (2.6893e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907399998265 (2.68977e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906785418745 (2.50654e-05% change) linmin: converged after 2 iterations. iteration 346: trace = 2.451906437789964 (1.41779e-05% change) large trace change predicted (5.58343e-05%) linmin: converged after 3 iterations. iteration 347: trace = 2.451905068455477 (5.58478e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903121715061 (7.93971e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902337095938 (3.20004e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901626083527 (2.89984e-05% change) large trace change predicted (6.42866e-05%) linmin: converged after 3 iterations. iteration 351: trace = 2.451900049769866 (6.42895e-05% change) linmin: converged after 2 iterations. iteration 352: trace = 2.451899136573584 (3.72444e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.451898736850383 (1.63026e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.451897946694063 (3.22263e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.45189747184642 (1.93665e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451897220646099 (1.02451e-05% change) large trace change predicted (2.44861e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896620201119 (2.4489e-05% change) linmin: converged after 3 iterations. iteration 358: trace = 2.451896058080836 (2.29259e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.451895837264319 (9.00595e-06% change) large trace change predicted (2.84087e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.451895140561287 (2.84149e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.45189474102638 (1.62949e-05% change) linmin: converged after 2 iterations. iteration 362: trace = 2.451894419082622 (1.31304e-05% change) large trace change predicted (3.94816e-05%) linmin: converged after 5 iterations. iteration 363: trace = 2.451893450703638 (3.94951e-05% change) linmin: converged after 4 iterations. iteration 364: trace = 2.451892570126811 (3.59142e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.45189181747914 (3.06966e-05% change) large trace change predicted (6.43709e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890238485002 (6.4399e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889616372384 (2.53728e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.45188877755701 (3.4211e-05% change) large trace change predicted (8.5513e-05%) linmin: converged after 4 iterations. iteration 369: trace = 2.451886679515175 (8.55684e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885786404943 (3.64254e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451884655995135 (4.61037e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451883546120951 (4.52662e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.451883232411078 (1.27946e-05% change) large trace change predicted (3.61962e-05%) linmin: converged after 4 iterations. iteration 374: trace = 2.451882344780096 (3.6202e-05% change) linmin: converged after 2 iterations. iteration 375: trace = 2.451881779695219 (2.3047e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881401859591 (1.541e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881173998864 (9.2933e-06% change) large trace change predicted (3.17815e-05%) linmin: converged after 5 iterations. iteration 378: trace = 2.451880394664437 (3.17852e-05% change) linmin: converged after 2 iterations. iteration 379: trace = 2.45187989190943 (2.05049e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451879518512381 (1.5229e-05% change) linmin: converged after 3 iterations. iteration 381: trace = 2.45187880705943 (2.90166e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878318476758 (1.99269e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877773854073 (2.22125e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.451876824144952 (3.8734e-05% change) linmin: converged after 3 iterations. iteration 385: trace = 2.451876293493401 (2.16427e-05% change) linmin: converged after 8 iterations. iteration 386: trace = 2.451875369938492 (3.76673e-05% change) large trace change predicted (7.75821e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.451873468799276 (7.75382e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451872590224089 (3.58328e-05% change) large trace change predicted (9.50571e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.4518702615096 (9.4977e-05% change) linmin: converged after 5 iterations. iteration 390: trace = 2.451868461088069 (7.34306e-05% change) linmin: converged after 5 iterations. iteration 391: trace = 2.451867700627981 (3.10155e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866708220177 (4.04756e-05% change) linmin: converged after 3 iterations. iteration 393: trace = 2.451865652586429 (4.30543e-05% change) linmin: converged after 2 iterations. iteration 394: trace = 2.451865445386099 (8.45072e-06% change) large trace change predicted (2.50549e-05%) linmin: converged after 3 iterations. iteration 395: trace = 2.451864831127395 (2.50527e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864349760831 (1.96327e-05% change) linmin: converged after 26 iterations. iteration 397: trace = 2.451864235719919 (4.65119e-06% change) large trace change predicted (2.47964e-05%) linmin: converged after 4 iterations. iteration 398: trace = 2.451863627785021 (2.47948e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863327607461 (1.22428e-05% change) linmin: converged after 3 iterations. iteration 400: trace = 2.451862913876871 (1.68741e-05% change) linmin: converged after 4 iterations. iteration 401: trace = 2.451862423737383 (1.99905e-05% change) linmin: converged after 4 iterations. iteration 402: trace = 2.451862008156571 (1.69496e-05% change) linmin: converged after 3 iterations. iteration 403: trace = 2.451861297761305 (2.89737e-05% change) large trace change predicted (6.03586e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451859816778514 (6.04024e-05% change) linmin: converged after 5 iterations. iteration 405: trace = 2.451858559069839 (5.12961e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.451857891199748 (2.72393e-05% change) large trace change predicted (6.38229e-05%) linmin: converged after 3 iterations. iteration 407: trace = 2.45185632544231 (6.38601e-05% change) linmin: converged after 4 iterations. iteration 408: trace = 2.451854711796361 (6.58133e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.45185402817143 (2.7882e-05% change) large trace change predicted (6.46259e-05%) linmin: converged after 3 iterations. iteration 410: trace = 2.451852442859669 (6.46577e-05% change) linmin: converged after 4 iterations. iteration 411: trace = 2.451851775392176 (2.7223e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451851127465782 (2.6426e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451850087175804 (4.24288e-05% change) linmin: converged after 9 iterations. iteration 414: trace = 2.451849911033916 (7.18404e-06% change) large trace change predicted (2.51613e-05%) linmin: converged after 4 iterations. iteration 415: trace = 2.451849293949703 (2.51681e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.451848943707893 (1.42848e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.451848710098085 (9.5279e-06% change) large trace change predicted (2.10239e-05%) linmin: converged after 3 iterations. iteration 418: trace = 2.45184819456945 (2.10261e-05% change) large trace change predicted (0.000188518%) linmin: converged after 3 iterations. iteration 419: trace = 2.451843571620683 (0.00018855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451841487273947 (8.50114e-05% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451839976121697 (6.16334e-05% change) linmin: converged after 3 iterations. iteration 422: trace = 2.451839314114376 (2.70004e-05% change) linmin: converged after 4 iterations. iteration 423: trace = 2.451839054914111 (1.05717e-05% change) linmin: converged after 3 iterations. iteration 424: trace = 2.451838742425517 (1.27451e-05% change) linmin: converged after 7 iterations. iteration 425: trace = 2.451838400153158 (1.39598e-05% change) linmin: converged after 3 iterations. iteration 426: trace = 2.451838201057432 (8.12026e-06% change) large trace change predicted (2.04897e-05%) linmin: converged after 3 iterations. iteration 427: trace = 2.451837698796881 (2.04851e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.451837481919144 (8.84552e-06% change) large trace change predicted (3.05073e-05%) linmin: converged after 4 iterations. iteration 429: trace = 2.451836734163764 (3.04978e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451835936235739 (3.25441e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451835185942234 (3.06013e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451834525078679 (2.69538e-05% change) large trace change predicted (5.9575e-05%) linmin: converged after 3 iterations. iteration 433: trace = 2.451833065357541 (5.95359e-05% change) linmin: converged after 8 iterations. iteration 434: trace = 2.451832734050241 (1.35126e-05% change) linmin: converged after 3 iterations. iteration 435: trace = 2.451832149791729 (2.38295e-05% change) linmin: converged after 4 iterations. iteration 436: trace = 2.451831313054189 (3.4127e-05% change) linmin: converged after 3 iterations. iteration 437: trace = 2.451831144753733 (6.86428e-06% change) large trace change predicted (1.89495e-05%) linmin: converged after 4 iterations. iteration 438: trace = 2.451830680221672 (1.89463e-05% change) linmin: converged after 3 iterations. iteration 439: trace = 2.451830279374053 (1.63489e-05% change) linmin: converged after 4 iterations. iteration 440: trace = 2.451829954213735 (1.32619e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451829747917543 (8.41397e-06% change) linmin: converged after 8 iterations. iteration 442: trace = 2.45182942913199 (1.30019e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451829344579854 (3.44853e-06% change) large trace change predicted (1.20307e-05%) linmin: converged after 6 iterations. iteration 444: trace = 2.451829049585355 (1.20316e-05% change) linmin: converged after 4 iterations. iteration 445: trace = 2.45182882275353 (9.25154e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.451828710478946 (4.57922e-06% change) large trace change predicted (1.8046e-05%) linmin: converged after 4 iterations. iteration 447: trace = 2.451828267951997 (1.80489e-05% change) linmin: converged after 4 iterations. iteration 448: trace = 2.451827859086309 (1.6676e-05% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451827704537776 (6.3034e-06% change) large trace change predicted (2.59966e-05%) linmin: converged after 4 iterations. iteration 450: trace = 2.451827067038046 (2.6001e-05% change) linmin: converged after 4 iterations. iteration 451: trace = 2.451826123510454 (3.84826e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451825857654383 (1.08432e-05% change) large trace change predicted (4.34736e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.45182479109769 (4.35005e-05% change) linmin: converged after 4 iterations. iteration 454: trace = 2.45182429282768 (2.03224e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451824028134613 (1.07958e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451823712849073 (1.28592e-05% change) linmin: converged after 4 iterations. iteration 457: trace = 2.451823254502712 (1.86941e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451823062649151 (7.82493e-06% change) large trace change predicted (1.64623e-05%) linmin: converged after 3 iterations. iteration 459: trace = 2.451822658887967 (1.64678e-05% change) linmin: converged after 2 iterations. iteration 460: trace = 2.451822526439577 (5.40204e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.451822336459144 (7.74854e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451822084284924 (1.02852e-05% change) linmin: converged after 3 iterations. iteration 463: trace = 2.451822011646269 (2.96264e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.451821904237058 (4.38079e-06% change) linmin: converged after 2 iterations. iteration 465: trace = 2.451821699544684 (8.34858e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451821547178686 (6.2144e-06% change) linmin: converged after 6 iterations. iteration 467: trace = 2.451821376475728 (6.96229e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.451821040671764 (1.36961e-05% change) linmin: converged after 3 iterations. iteration 469: trace = 2.45182080693343 (9.53325e-06% change) linmin: converged after 4 iterations. iteration 470: trace = 2.4518205215002 (1.16417e-05% change) large trace change predicted (2.63546e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.45181987548071 (2.63486e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451819408860605 (1.90316e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451819126855167 (1.15019e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451818658754745 (1.9092e-05% change) linmin: converged after 5 iterations. iteration 475: trace = 2.451818394563479 (1.07753e-05% change) linmin: converged after 18 iterations. iteration 476: trace = 2.451818116179429 (1.13542e-05% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451817781654802 (1.36439e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451817681110296 (4.10081e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451817552578524 (5.24231e-06% change) linmin: converged after 19 iterations. iteration 480: trace = 2.451817332535152 (8.9747e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451817297043988 (1.44755e-06% change) large trace change predicted (8.02481e-06%) linmin: converged after 2 iterations. iteration 482: trace = 2.451817100288909 (8.02487e-06% change) linmin: converged after 7 iterations. iteration 483: trace = 2.451816974162871 (5.14419e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.451816925474987 (1.98579e-06% change) large trace change predicted (5.20292e-06%) linmin: converged after 2 iterations. iteration 485: trace = 2.45181679790735 (5.20298e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.451816582759446 (8.77504e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.451816497251044 (3.48755e-06% change) large trace change predicted (9.35672e-06%) linmin: converged after 18 iterations. iteration 488: trace = 2.451816267845393 (9.35656e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.451815875725539 (1.5993e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.451815757819901 (4.80891e-06% change) large trace change predicted (1.10512e-05%) linmin: converged after 2 iterations. iteration 491: trace = 2.451815486861406 (1.10513e-05% change) linmin: converged after 3 iterations. iteration 492: trace = 2.451815280756068 (8.40623e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.451815194923169 (3.50079e-06% change) large trace change predicted (7.35121e-06%) linmin: converged after 7 iterations. iteration 494: trace = 2.451815014697793 (7.35069e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451814894361656 (4.90804e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451814850871355 (1.7738e-06% change) large trace change predicted (4.50328e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.45181474045643 (4.5034e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.451814610526366 (5.29934e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.451814567841736 (1.74094e-06% change) large trace change predicted (6.83787e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.451814400186214 (6.83802e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.451814272915252 (5.19089e-06% change) linmin: converged after 2 iterations. iteration 502: trace = 2.45181419266202 (3.27322e-06% change) large trace change predicted (8.56711e-06%) linmin: converged after 24 iterations. iteration 503: trace = 2.45181398260356 (8.56747e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.451813704811319 (1.13301e-05% change) linmin: converged after 4 iterations. iteration 505: trace = 2.451813596654659 (4.41129e-06% change) large trace change predicted (1.8288e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451813148189388 (1.82912e-05% change) linmin: converged after 22 iterations. iteration 507: trace = 2.451812965690427 (7.44343e-06% change) linmin: converged after 2 iterations. iteration 508: trace = 2.451812761950807 (8.30975e-06% change) large trace change predicted (2.09791e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451812247462067 (2.0984e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451811966755929 (1.14489e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.451811851242338 (4.71136e-06% change) large trace change predicted (1.00995e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451811603602493 (1.01003e-05% change) linmin: converged after 5 iterations. iteration 513: trace = 2.451811507357846 (3.92545e-06% change) linmin: converged after 20 iterations. iteration 514: trace = 2.451811334433819 (7.05291e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.451811191640094 (5.82401e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.451811130732174 (2.4842e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451811047301646 (3.40281e-06% change) linmin: converged after 2 iterations. iteration 518: trace = 2.451810891815008 (6.34171e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.451810816631979 (3.06643e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451810695082755 (4.95753e-06% change) linmin: converged after 3 iterations. iteration 521: trace = 2.45181049319669 (8.23416e-06% change) linmin: converged after 3 iterations. iteration 522: trace = 2.451810268505231 (9.16431e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.45181019367532 (3.05203e-06% change) large trace change predicted (8.52331e-06%) linmin: converged after 3 iterations. iteration 524: trace = 2.451809984726808 (8.52221e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.451809780364004 (8.33518e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.451809671650246 (4.43402e-06% change) large trace change predicted (2.12798e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451809150137006 (2.12705e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.45180874197214 (1.66475e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451808417499351 (1.3234e-05% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451808030250102 (1.57944e-05% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451807807831868 (9.0716e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451807742759107 (2.65407e-06% change) large trace change predicted (9.27794e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.451807515300582 (9.27718e-06% change) linmin: converged after 6 iterations. iteration 534: trace = 2.451807415467064 (4.07183e-06% change) linmin: converged after 5 iterations. iteration 535: trace = 2.451807346960127 (2.79414e-06% change) large trace change predicted (5.71938e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451807206736129 (5.71921e-06% change) linmin: converged after 12 iterations. iteration 537: trace = 2.451807086805041 (4.89154e-06% change) linmin: converged after 8 iterations. iteration 538: trace = 2.451807031148672 (2.27001e-06% change) large trace change predicted (7.12219e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.451806856509571 (7.12287e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451806796843032 (2.43357e-06% change) large trace change predicted (6.7709e-06%) linmin: converged after 4 iterations. iteration 541: trace = 2.451806630809242 (6.7719e-06% change) linmin: converged after 5 iterations. iteration 542: trace = 2.451806452505993 (7.27232e-06% change) linmin: converged after 16 iterations. iteration 543: trace = 2.451806368758432 (3.41575e-06% change) large trace change predicted (1.23699e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451806065324214 (1.23759e-05% change) linmin: converged after 3 iterations. iteration 545: trace = 2.451805739861479 (1.32744e-05% change) linmin: converged after 5 iterations. iteration 546: trace = 2.451805601881059 (5.62771e-06% change) large trace change predicted (1.68905e-05%) linmin: converged after 3 iterations. iteration 547: trace = 2.451805187663824 (1.68944e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451804745230315 (1.80452e-05% change) linmin: converged after 3 iterations. iteration 549: trace = 2.451804599592704 (5.94002e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451804373046908 (9.23996e-06% change) linmin: converged after 3 iterations. iteration 551: trace = 2.451804158093567 (8.76715e-06% change) linmin: converged after 2 iterations. iteration 552: trace = 2.451804068334619 (3.66093e-06% change) linmin: converged after 3 iterations. iteration 553: trace = 2.451803927634026 (5.73866e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451803805504083 (4.98123e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451803760167925 (1.84909e-06% change) large trace change predicted (3.96563e-06%) linmin: converged after 4 iterations. iteration 556: trace = 2.451803662939658 (3.96558e-06% change) linmin: converged after 3 iterations. iteration 557: trace = 2.451803472511807 (7.76685e-06% change) linmin: converged after 3 iterations. iteration 558: trace = 2.451803406365509 (2.69786e-06% change) large trace change predicted (3.46964e-05%) linmin: converged after 3 iterations. iteration 559: trace = 2.451802555696506 (3.46957e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.451801982548152 (2.33766e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.451801906952554 (3.08327e-06% change) large trace change predicted (8.84622e-06%) linmin: converged after 8 iterations. iteration 562: trace = 2.451801690096094 (8.84478e-06% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451801613985753 (3.10426e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451801571639047 (1.72717e-06% change) large trace change predicted (5.19395e-06%) linmin: converged after 3 iterations. iteration 565: trace = 2.451801444315304 (5.19307e-06% change) linmin: converged after 23 iterations. iteration 566: trace = 2.451801359505677 (3.45907e-06% change) linmin: converged after 2 iterations. iteration 567: trace = 2.451801310782897 (1.98722e-06% change) large trace change predicted (8.99797e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.451801090196141 (8.99693e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451801002373334 (3.58197e-06% change) linmin: converged after 3 iterations. iteration 570: trace = 2.451800895528208 (4.35782e-06% change) large trace change predicted (9.24043e-06%) linmin: converged after 3 iterations. iteration 571: trace = 2.451800669005973 (9.23901e-06% change) linmin: converged after 3 iterations. iteration 572: trace = 2.451800475143845 (7.90693e-06% change) linmin: converged after 2 iterations. iteration 573: trace = 2.451800397611408 (3.16227e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451800250724628 (5.99098e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451800097856249 (6.23494e-06% change) linmin: converged after 4 iterations. iteration 576: trace = 2.451799981080339 (4.76286e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799778162104 (8.2763e-06% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451799650819622 (5.19384e-06% change) linmin: converged after 2 iterations. iteration 579: trace = 2.45179958082181 (2.85496e-06% change) large trace change predicted (7.39521e-06%) linmin: converged after 16 iterations. iteration 580: trace = 2.451799399541025 (7.39379e-06% change) linmin: converged after 2 iterations. iteration 581: trace = 2.451799337883764 (2.51478e-06% change) linmin: converged after 4 iterations. iteration 582: trace = 2.45179926618354 (2.92439e-06% change) linmin: converged after 7 iterations. iteration 583: trace = 2.451799194783086 (2.91217e-06% change) linmin: converged after 12 iterations. iteration 584: trace = 2.451799169243016 (1.04169e-06% change) linmin: converged after 8 iterations. iteration 585: trace = 2.451799126081373 (1.76041e-06% change) linmin: converged after 2 iterations. iteration 586: trace = 2.451799056584404 (2.83453e-06% change) linmin: converged after 5 iterations. iteration 587: trace = 2.451799037591654 (7.74645e-07% change) large trace change predicted (2.58954e-06%) linmin: converged after 3 iterations. iteration 588: trace = 2.451798974098954 (2.58964e-06% change) linmin: converged after 5 iterations. iteration 589: trace = 2.451798865056575 (4.44744e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.451798815752565 (2.01093e-06% change) large trace change predicted (6.75032e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.45179865020752 (6.75198e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451798392978084 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 593: trace = 2.451798341014076 (2.11942e-06% change) large trace change predicted (5.91559e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451798195958455 (5.9163e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.451798053437744 (5.81291e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451797948203541 (4.29212e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.451797812823868 (5.52165e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797667765789 (5.9164e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451797613208867 (2.22518e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451797573279094 (1.62859e-06% change) linmin: converged after 3 iterations. iteration 601: trace = 2.451797511405647 (2.5236e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.451797495827575 (6.35374e-07% change) linmin: converged after 22 iterations. iteration 603: trace = 2.451797468701521 (1.10637e-06% change) linmin: converged after 2 iterations. iteration 604: trace = 2.451797425297661 (1.77029e-06% change) linmin: converged after 16 iterations. iteration 605: trace = 2.451797413176967 (4.9436e-07% change) large trace change predicted (2.21362e-06%) linmin: converged after 22 iterations. iteration 606: trace = 2.451797358904964 (2.21356e-06% change) linmin: converged after 11 iterations. iteration 607: trace = 2.451797293903835 (2.65116e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.451797254649803 (1.60103e-06% change) large trace change predicted (3.593e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.451797166562065 (3.59278e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451797005492685 (6.56944e-06% change) linmin: converged after 6 iterations. iteration 611: trace = 2.451796920112159 (3.48237e-06% change) linmin: converged after 6 iterations. iteration 612: trace = 2.45179679732706 (5.00796e-06% change) linmin: converged after 6 iterations. iteration 613: trace = 2.451796693564692 (4.2321e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796649410477 (1.80089e-06% change) large trace change predicted (4.06062e-06%) linmin: converged after 3 iterations. iteration 615: trace = 2.451796549857634 (4.0604e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796494649746 (2.25173e-06% change) linmin: converged after 3 iterations. iteration 617: trace = 2.451796462267598 (1.32075e-06% change) linmin: converged after 2 iterations. iteration 618: trace = 2.451796416806242 (1.85421e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451796356724762 (2.45051e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451796344704529 (4.90262e-07% change) large trace change predicted (2.2744e-06%) linmin: converged after 26 iterations. iteration 621: trace = 2.451796288941718 (2.27437e-06% change) linmin: converged after 2 iterations. iteration 622: trace = 2.451796270977686 (7.32689e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451796249624427 (8.70923e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451796214952842 (1.41413e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451796170173427 (1.82639e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451796151665538 (7.54871e-07% change) large trace change predicted (1.78874e-06%) linmin: converged after 3 iterations. iteration 627: trace = 2.45179610780839 (1.78878e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.451796047092974 (2.47636e-06% change) linmin: converged after 26 iterations. iteration 629: trace = 2.451796029479969 (7.18372e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.451796012741334 (6.82709e-07% change) large trace change predicted (2.09654e-06%) linmin: converged after 2 iterations. iteration 631: trace = 2.451795961338387 (2.09654e-06% change) linmin: converged after 9 iterations. iteration 632: trace = 2.45179592602504 (1.44031e-06% change) linmin: converged after 3 iterations. iteration 633: trace = 2.451795905088337 (8.53933e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795863367345 (1.70165e-06% change) linmin: converged after 3 iterations. iteration 635: trace = 2.451795842434369 (8.53781e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451795823253336 (7.82326e-07% change) linmin: converged after 2 iterations. iteration 637: trace = 2.451795792757435 (1.24382e-06% change) linmin: converged after 7 iterations. iteration 638: trace = 2.45179576555358 (1.10955e-06% change) linmin: converged after 8 iterations. iteration 639: trace = 2.451795739773108 (1.05149e-06% change) linmin: converged after 3 iterations. iteration 640: trace = 2.4517956901301 (2.02476e-06% change) linmin: converged after 2 iterations. iteration 641: trace = 2.451795664286969 (1.05405e-06% change) linmin: converged after 15 iterations. iteration 642: trace = 2.45179563766033 (1.08601e-06% change) linmin: converged after 2 iterations. iteration 643: trace = 2.451795588485063 (2.00568e-06% change) linmin: converged after 3 iterations. iteration 644: trace = 2.451795539525068 (1.9969e-06% change) linmin: converged after 19 iterations. iteration 645: trace = 2.451795502640996 (1.50437e-06% change) large trace change predicted (4.31029e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451795396954941 (4.31056e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.451795364800598 (1.31146e-06% change) large trace change predicted (2.93782e-06%) linmin: converged after 2 iterations. iteration 648: trace = 2.451795292770135 (2.93787e-06% change) large trace change predicted (6.32079e-06%) linmin: converged after 3 iterations. iteration 649: trace = 2.451795137780789 (6.32146e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451795085908627 (2.11568e-06% change) linmin: converged after 11 iterations. iteration 651: trace = 2.451795039112831 (1.90863e-06% change) linmin: converged after 16 iterations. iteration 652: trace = 2.451794981825601 (2.33654e-06% change) linmin: converged after 3 iterations. iteration 653: trace = 2.451794964154467 (7.20743e-07% change) large trace change predicted (1.71611e-06%) linmin: converged after 4 iterations. iteration 654: trace = 2.451794922076946 (1.71619e-06% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794889434599 (1.33137e-06% change) linmin: converged after 13 iterations. iteration 656: trace = 2.451794879984825 (3.85423e-07% change) large trace change predicted (9.94414e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.451794855604035 (9.94406e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.451794823053012 (1.32764e-06% change) linmin: converged after 16 iterations. iteration 659: trace = 2.451794811662601 (4.64574e-07% change) large trace change predicted (1.70714e-06%) linmin: converged after 5 iterations. iteration 660: trace = 2.451794769807879 (1.70711e-06% change) linmin: converged after 3 iterations. iteration 661: trace = 2.451794708290626 (2.50907e-06% change) linmin: converged after 3 iterations. iteration 662: trace = 2.451794634213091 (3.02136e-06% change) linmin: converged after 19 iterations. iteration 663: trace = 2.451794612022829 (9.05062e-07% change) large trace change predicted (3.52775e-06%) linmin: converged after 4 iterations. iteration 664: trace = 2.451794525544635 (3.52714e-06% change) linmin: converged after 4 iterations. iteration 665: trace = 2.451794469815066 (2.27301e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.451794420057125 (2.02945e-06% change) large trace change predicted (5.20654e-06%) linmin: converged after 5 iterations. iteration 667: trace = 2.451794292444008 (5.20489e-06% change) linmin: converged after 3 iterations. iteration 668: trace = 2.451794165930693 (5.16003e-06% change) linmin: converged after 4 iterations. iteration 669: trace = 2.451794133465237 (1.32415e-06% change) large trace change predicted (3.19858e-06%) linmin: converged after 11 iterations. iteration 670: trace = 2.451794055050618 (3.19825e-06% change) linmin: converged after 5 iterations. iteration 671: trace = 2.451794029890598 (1.02619e-06% change) linmin: converged after 3 iterations. iteration 672: trace = 2.45179401156865 (7.47287e-07% change) large trace change predicted (1.51873e-06%) linmin: converged after 6 iterations. iteration 673: trace = 2.451793974332896 (1.51871e-06% change) linmin: converged after 3 iterations. iteration 674: trace = 2.451793962126843 (4.97842e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.451793946727369 (6.2809e-07% change) large trace change predicted (1.33892e-06%) linmin: converged after 2 iterations. iteration 676: trace = 2.451793913899442 (1.33893e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793874281844 (1.61586e-06% change) linmin: converged after 3 iterations. iteration 678: trace = 2.451793859883507 (5.87257e-07% change) large trace change predicted (2.37031e-06%) linmin: converged after 3 iterations. iteration 679: trace = 2.451793801762028 (2.37057e-06% change) linmin: converged after 3 iterations. iteration 680: trace = 2.45179375962895 (1.71846e-06% change) linmin: converged after 2 iterations. iteration 681: trace = 2.451793723775928 (1.46232e-06% change) large trace change predicted (3.58492e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793635857668 (3.58588e-06% change) linmin: converged after 3 iterations. iteration 683: trace = 2.451793595839454 (1.6322e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793522898229 (2.97501e-06% change) linmin: converged after 4 iterations. iteration 685: trace = 2.451793441862717 (3.30515e-06% change) linmin: converged after 3 iterations. iteration 686: trace = 2.451793417050211 (1.01201e-06% change) large trace change predicted (2.28174e-06%) linmin: converged after 2 iterations. iteration 687: trace = 2.451793361103791 (2.28186e-06% change) linmin: converged after 3 iterations. iteration 688: trace = 2.45179327485653 (3.51772e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451793244726272 (1.22891e-06% change) linmin: converged after 8 iterations. iteration 690: trace = 2.45179320944602 (1.43896e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451793151290725 (2.37195e-06% change) linmin: converged after 2 iterations. iteration 692: trace = 2.451793130443018 (8.50304e-07% change) linmin: converged after 15 iterations. iteration 693: trace = 2.451793098215616 (1.31444e-06% change) linmin: converged after 13 iterations. iteration 694: trace = 2.451793054669052 (1.77611e-06% change) linmin: converged after 19 iterations. iteration 695: trace = 2.451793041170863 (5.50544e-07% change) linmin: converged after 2 iterations. iteration 696: trace = 2.451793017141788 (9.80061e-07% change) large trace change predicted (2.72664e-06%) linmin: converged after 3 iterations. iteration 697: trace = 2.451792950287839 (2.72674e-06% change) linmin: converged after 4 iterations. iteration 698: trace = 2.45179291676277 (1.36737e-06% change) large trace change predicted (4.11915e-06%) linmin: converged after 2 iterations. iteration 699: trace = 2.451792815767903 (4.11923e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 700: trace = 2.451792735973971 (3.25451e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792713385848 (9.2129e-07% change) large trace change predicted (2.24644e-06%) linmin: converged after 27 iterations. iteration 702: trace = 2.451792658309004 (2.24639e-06% change) linmin: converged after 8 iterations. iteration 703: trace = 2.451792637528764 (8.47553e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.451792624061017 (5.49302e-07% change) large trace change predicted (1.7001e-06%) linmin: converged after 3 iterations. iteration 705: trace = 2.451792582379331 (1.70005e-06% change) linmin: converged after 16 iterations. iteration 706: trace = 2.45179255538638 (1.10095e-06% change) linmin: converged after 18 iterations. iteration 707: trace = 2.451792537408584 (7.33251e-07% change) large trace change predicted (2.25362e-06%) linmin: converged after 6 iterations. iteration 708: trace = 2.451792482156694 (2.25353e-06% change) linmin: converged after 3 iterations. iteration 709: trace = 2.451792465849439 (6.65116e-07% change) large trace change predicted (1.33888e-06%) linmin: converged after 3 iterations. iteration 710: trace = 2.451792433024327 (1.33882e-06% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451792391095912 (1.71011e-06% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451792367973385 (9.43087e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.451792340588103 (1.11695e-06% change) linmin: converged after 4 iterations. iteration 714: trace = 2.451792302327005 (1.56054e-06% change) linmin: converged after 23 iterations. iteration 715: trace = 2.451792278794445 (9.5981e-07% change) large trace change predicted (2.39835e-06%) linmin: converged after 4 iterations. iteration 716: trace = 2.451792219997243 (2.39813e-06% change) linmin: converged after 4 iterations. iteration 717: trace = 2.45179215196424 (2.77483e-06% change) linmin: converged after 2 iterations. iteration 718: trace = 2.451792133137846 (7.67863e-07% change) large trace change predicted (1.8277e-06%) linmin: converged after 19 iterations. iteration 719: trace = 2.451792088331478 (1.82749e-06% change) linmin: converged after 4 iterations. iteration 720: trace = 2.451792045582993 (1.74356e-06% change) linmin: converged after 22 iterations. iteration 721: trace = 2.451792036069681 (3.88015e-07% change) large trace change predicted (1.12578e-06%) linmin: converged after 16 iterations. iteration 722: trace = 2.451792008467948 (1.12578e-06% change) linmin: converged after 10 iterations. iteration 723: trace = 2.45179198955999 (7.71189e-07% change) linmin: converged after 7 iterations. iteration 724: trace = 2.451791985092234 (1.82224e-07% change) large trace change predicted (4.22936e-07%) linmin: converged after 13 iterations. iteration 725: trace = 2.451791974722604 (4.22941e-07% change) linmin: converged after 8 iterations. iteration 726: trace = 2.451791956378741 (7.48182e-07% change) linmin: converged after 10 iterations. iteration 727: trace = 2.451791950427283 (2.42739e-07% change) large trace change predicted (6.32523e-07%) linmin: converged after 3 iterations. iteration 728: trace = 2.451791934918383 (6.32554e-07% change) large trace change predicted (1.58896e-06%) linmin: converged after 15 iterations. iteration 729: trace = 2.451791895956499 (1.58912e-06% change) linmin: converged after 10 iterations. iteration 730: trace = 2.451791861578978 (1.40214e-06% change) linmin: converged after 6 iterations. iteration 731: trace = 2.451791832578483 (1.18283e-06% change) large trace change predicted (2.51013e-06%) linmin: converged after 4 iterations. iteration 732: trace = 2.451791771020753 (2.51072e-06% change) linmin: converged after 6 iterations. iteration 733: trace = 2.451791747921329 (9.42145e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.45179172199811 (1.05732e-06% change) linmin: converged after 2 iterations. iteration 735: trace = 2.451791681180189 (1.66482e-06% change) linmin: converged after 21 iterations. iteration 736: trace = 2.451791663920676 (7.03955e-07% change) large trace change predicted (1.42046e-06%) linmin: converged after 3 iterations. iteration 737: trace = 2.451791629094082 (1.42045e-06% change) linmin: converged after 3 iterations. iteration 738: trace = 2.451791597026106 (1.30794e-06% change) linmin: converged after 3 iterations. iteration 739: trace = 2.451791584493572 (5.11158e-07% change) linmin: converged after 3 iterations. iteration 740: trace = 2.451791573347998 (4.54589e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.451791557905974 (6.29826e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791553693612 (1.71808e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.451791546815618 (2.80529e-07% change) linmin: converged after 8 iterations. iteration 744: trace = 2.451791535594135 (4.57685e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791532954725 (1.07652e-07% change) large trace change predicted (8.23857e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.45179151275595 (8.23837e-07% change) linmin: converged after 2 iterations. iteration 747: trace = 2.451791500115765 (5.15549e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.451791484009999 (6.56898e-07% change) linmin: converged after 6 iterations. iteration 749: trace = 2.451791455247939 (1.1731e-06% change) linmin: converged after 3 iterations. iteration 750: trace = 2.451791407870619 (1.93236e-06% change) linmin: converged after 3 iterations. iteration 751: trace = 2.451791395788454 (4.92789e-07% change) large trace change predicted (1.05106e-06%) linmin: converged after 5 iterations. iteration 752: trace = 2.451791370018292 (1.05107e-06% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791337156644 (1.34031e-06% change) linmin: converged after 7 iterations. iteration 754: trace = 2.45179132960818 (3.07875e-07% change) large trace change predicted (8.59089e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.451791308545715 (8.59064e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451791294509581 (5.72485e-07% change) linmin: converged after 2 iterations. iteration 757: trace = 2.451791287850632 (2.71595e-07% change) large trace change predicted (5.73049e-07%) linmin: converged after 3 iterations. iteration 758: trace = 2.451791273800747 (5.73046e-07% change) linmin: converged after 5 iterations. iteration 759: trace = 2.451791254442803 (7.89543e-07% change) linmin: converged after 7 iterations. iteration 760: trace = 2.451791250679621 (1.53487e-07% change) large trace change predicted (5.76617e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.451791236542554 (5.76602e-07% change) linmin: converged after 10 iterations. iteration 762: trace = 2.451791228177568 (3.41179e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.451791222089034 (2.4833e-07% change) linmin: converged after 2 iterations. iteration 764: trace = 2.45179121837512 (1.51478e-07% change) large trace change predicted (4.70197e-07%) linmin: converged after 2 iterations. iteration 765: trace = 2.451791206846856 (4.70198e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.451791199724155 (2.9051e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.451791193275321 (2.63025e-07% change) large trace change predicted (6.02358e-07%) linmin: converged after 2 iterations. iteration 768: trace = 2.451791178506686 (6.02361e-07% change) linmin: converged after 16 iterations. iteration 769: trace = 2.451791170879737 (3.11077e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.451791163588499 (2.97384e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.451791149922613 (5.57384e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.45179114388743 (2.46154e-07% change) linmin: converged after 6 iterations. iteration 773: trace = 2.451791136832123 (2.87761e-07% change) linmin: converged after 2 iterations. iteration 774: trace = 2.451791126337473 (4.2804e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.451791122995828 (1.36294e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.45179111679879 (2.52756e-07% change) linmin: converged after 2 iterations. iteration 777: trace = 2.451791109191606 (3.1027e-07% change) linmin: converged after 9 iterations. iteration 778: trace = 2.45179110239284 (2.77298e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451791093004328 (3.82925e-07% change) linmin: converged after 3 iterations. iteration 780: trace = 2.451791077222339 (6.43692e-07% change) linmin: converged after 2 iterations. iteration 781: trace = 2.451791073093088 (1.68418e-07% change) large trace change predicted (5.38894e-07%) linmin: converged after 24 iterations. iteration 782: trace = 2.451791059880235 (5.38906e-07% change) linmin: converged after 2 iterations. iteration 783: trace = 2.451791048214907 (4.75788e-07% change) linmin: converged after 14 iterations. iteration 784: trace = 2.451791043662033 (1.85696e-07% change) large trace change predicted (7.44705e-07%) linmin: converged after 16 iterations. iteration 785: trace = 2.451791025402476 (7.44744e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.451791002705439 (9.25733e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790994296228 (3.42982e-07% change) large trace change predicted (9.31606e-07%) linmin: converged after 2 iterations. iteration 788: trace = 2.451790971454671 (9.31627e-07% change) linmin: converged after 2 iterations. iteration 789: trace = 2.451790936202922 (1.4378e-06% change) linmin: converged after 3 iterations. iteration 790: trace = 2.451790929346274 (2.79659e-07% change) large trace change predicted (8.69486e-07%) linmin: converged after 3 iterations. iteration 791: trace = 2.451790908027687 (8.69511e-07% change) linmin: converged after 2 iterations. iteration 792: trace = 2.451790893576357 (5.89419e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.451790890020725 (1.45022e-07% change) large trace change predicted (5.32387e-07%) linmin: converged after 2 iterations. iteration 794: trace = 2.451790876967421 (5.32399e-07% change) linmin: converged after 3 iterations. iteration 795: trace = 2.451790868820841 (3.32271e-07% change) linmin: converged after 20 iterations. iteration 796: trace = 2.451790866257376 (1.04555e-07% change) linmin: converged after 2 iterations. iteration 797: trace = 2.451790861780407 (1.826e-07% change) large trace change predicted (3.96954e-07%) linmin: converged after 2 iterations. iteration 798: trace = 2.451790852047909 (3.96955e-07% change) linmin: converged after 6 iterations. iteration 799: trace = 2.451790847076646 (2.02761e-07% change) large trace change predicted (4.08768e-07%) linmin: converged after 5 iterations. iteration 800: trace = 2.451790837054765 (4.08758e-07% change) linmin: converged after 3 iterations. iteration 801: trace = 2.451790817335906 (8.04264e-07% change) linmin: converged after 6 iterations. iteration 802: trace = 2.451790794602013 (9.27236e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.451790786000812 (3.50813e-07% change) large trace change predicted (1.02455e-06%) linmin: converged after 5 iterations. iteration 804: trace = 2.451790760882183 (1.0245e-06% change) linmin: converged after 16 iterations. iteration 805: trace = 2.451790740503937 (8.31158e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.451790730236656 (4.18767e-07% change) large trace change predicted (1.1669e-06%) linmin: converged after 3 iterations. iteration 807: trace = 2.451790701629887 (1.16677e-06% change) linmin: converged after 4 iterations. iteration 808: trace = 2.451790674914408 (1.08963e-06% change) linmin: converged after 11 iterations. iteration 809: trace = 2.451790667117731 (3.17999e-07% change) large trace change predicted (7.77162e-07%) linmin: converged after 14 iterations. iteration 810: trace = 2.451790648064388 (7.7712e-07% change) linmin: converged after 4 iterations. iteration 811: trace = 2.451790640953193 (2.90041e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.451790637185523 (1.5367e-07% change) large trace change predicted (3.43254e-07%) linmin: converged after 12 iterations. iteration 813: trace = 2.451790628769825 (3.43247e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790625950864 (1.14976e-07% change) linmin: converged after 8 iterations. iteration 815: trace = 2.451790622016659 (1.60462e-07% change) large trace change predicted (3.50387e-07%) linmin: converged after 2 iterations. iteration 816: trace = 2.451790613425877 (3.50388e-07% change) linmin: converged after 4 iterations. iteration 817: trace = 2.451790604263075 (3.73719e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.451790596543134 (3.1487e-07% change) large trace change predicted (7.49179e-07%) linmin: converged after 3 iterations. iteration 819: trace = 2.451790578173797 (7.49221e-07% change) linmin: converged after 3 iterations. iteration 820: trace = 2.451790565854311 (5.02469e-07% change) linmin: converged after 5 iterations. iteration 821: trace = 2.45179055377303 (4.92753e-07% change) large trace change predicted (1.24216e-06%) linmin: converged after 3 iterations. iteration 822: trace = 2.451790523313139 (1.24235e-06% change) linmin: converged after 4 iterations. iteration 823: trace = 2.451790506795848 (6.73683e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.451790490932665 (6.47004e-07% change) linmin: converged after 3 iterations. iteration 825: trace = 2.451790475293392 (6.37872e-07% change) linmin: converged after 10 iterations. iteration 826: trace = 2.451790466892733 (3.42634e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.451790458534979 (3.40884e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.451790442893108 (6.37977e-07% change) linmin: converged after 5 iterations. iteration 829: trace = 2.451790433408977 (3.86825e-07% change) linmin: converged after 16 iterations. iteration 830: trace = 2.451790426941059 (2.63804e-07% change) large trace change predicted (7.12545e-07%) linmin: converged after 5 iterations. iteration 831: trace = 2.451790409470244 (7.12574e-07% change) linmin: converged after 19 iterations. iteration 832: trace = 2.451790402203408 (2.96389e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.451790393834325 (3.41346e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790380438437 (5.46372e-07% change) linmin: converged after 10 iterations. iteration 835: trace = 2.451790373523198 (2.82049e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.451790370151761 (1.37509e-07% change) large trace change predicted (5.80216e-07%) linmin: converged after 25 iterations. iteration 837: trace = 2.451790355925887 (5.80224e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.451790340317039 (6.36631e-07% change) linmin: converged after 2 iterations. iteration 839: trace = 2.451790324464929 (6.46552e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.451790309779352 (5.98974e-07% change) linmin: converged after 18 iterations. iteration 841: trace = 2.45179029649365 (5.41878e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.45179028307721 (5.4721e-07% change) linmin: converged after 3 iterations. iteration 843: trace = 2.451790279670369 (1.38953e-07% change) linmin: converged after 3 iterations. iteration 844: trace = 2.451790273062005 (2.69532e-07% change) linmin: converged after 21 iterations. iteration 845: trace = 2.451790261480712 (4.72361e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790259224823 (9.20098e-08% change) large trace change predicted (4.1551e-07%) linmin: converged after 16 iterations. iteration 847: trace = 2.451790249037572 (4.15503e-07% change) linmin: converged after 10 iterations. iteration 848: trace = 2.451790237706153 (4.62169e-07% change) linmin: converged after 7 iterations. iteration 849: trace = 2.451790232156626 (2.26346e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790222441097 (3.96263e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.451790213537884 (3.63131e-07% change) linmin: converged after 16 iterations. iteration 852: trace = 2.451790208676213 (1.98291e-07% change) large trace change predicted (4.41386e-07%) linmin: converged after 6 iterations. iteration 853: trace = 2.451790197854555 (4.41378e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.451790191124031 (2.74515e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.451790184160896 (2.84002e-07% change) large trace change predicted (7.53085e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.451790165698048 (7.53035e-07% change) linmin: converged after 6 iterations. iteration 857: trace = 2.45179015009668 (6.36326e-07% change) linmin: converged after 3 iterations. iteration 858: trace = 2.451790143604585 (2.6479e-07% change) linmin: converged after 14 iterations. iteration 859: trace = 2.451790132254787 (4.62919e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451790121261698 (4.4837e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.451790118898645 (9.63807e-08% change) large trace change predicted (3.79461e-07%) linmin: converged after 3 iterations. iteration 862: trace = 2.45179010959524 (3.79454e-07% change) linmin: converged after 6 iterations. iteration 863: trace = 2.45179010705539 (1.03592e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451790104476392 (1.05188e-07% change) linmin: converged after 7 iterations. iteration 865: trace = 2.451790101403323 (1.2534e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451790097444481 (1.61467e-07% change) linmin: converged after 15 iterations. iteration 867: trace = 2.451790095628192 (7.40801e-08% change) large trace change predicted (1.95522e-07%) linmin: converged after 23 iterations. iteration 868: trace = 2.451790090834302 (1.95526e-07% change) large trace change predicted (4.25874e-07%) linmin: converged after 9 iterations. iteration 869: trace = 2.45179008039213 (4.259e-07% change) linmin: converged after 4 iterations. iteration 870: trace = 2.451790077448802 (1.20048e-07% change) large trace change predicted (6.0249e-07%) linmin: converged after 2 iterations. iteration 871: trace = 2.451790062675531 (6.0255e-07% change) linmin: converged after 5 iterations. iteration 872: trace = 2.451790051455813 (4.57613e-07% change) linmin: converged after 15 iterations. iteration 873: trace = 2.451790045147716 (2.57285e-07% change) linmin: converged after 4 iterations. iteration 874: trace = 2.451790035301876 (4.01578e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.451790024447664 (4.42706e-07% change) linmin: converged after 15 iterations. iteration 876: trace = 2.451790020630139 (1.55704e-07% change) large trace change predicted (4.65255e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.451790009222636 (4.65272e-07% change) linmin: converged after 4 iterations. iteration 878: trace = 2.451790002210733 (2.85991e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789999285162 (1.19324e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.45178999465364 (1.88904e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789991462778 (1.30144e-07% change) linmin: converged after 10 iterations. iteration 882: trace = 2.451789989911505 (6.3271e-08% change) linmin: converged after 2 iterations. iteration 883: trace = 2.451789987774147 (8.71754e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.45178998561956 (8.78781e-08% change) linmin: converged after 32 iterations. iteration 885: trace = 2.451789984060726 (6.35794e-08% change) large trace change predicted (2.26079e-07%) linmin: converged after 3 iterations. iteration 886: trace = 2.451789978517803 (2.26077e-07% change) linmin: converged after 3 iterations. iteration 887: trace = 2.451789975618574 (1.18249e-07% change) linmin: converged after 21 iterations. iteration 888: trace = 2.451789970752478 (1.98471e-07% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789963007556 (3.15888e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.4517899579975 (2.04343e-07% change) linmin: converged after 3 iterations. iteration 891: trace = 2.45178994846777 (3.88685e-07% change) linmin: converged after 9 iterations. iteration 892: trace = 2.451789940500019 (3.24977e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789931682476 (3.59637e-07% change) linmin: converged after 11 iterations. iteration 894: trace = 2.451789929697368 (8.09657e-08% change) large trace change predicted (2.14415e-07%) linmin: converged after 16 iterations. iteration 895: trace = 2.451789924440501 (2.14409e-07% change) linmin: converged after 3 iterations. iteration 896: trace = 2.451789920666248 (1.53939e-07% change) linmin: converged after 9 iterations. iteration 897: trace = 2.451789918914021 (7.14673e-08% change) linmin: converged after 8 iterations. iteration 898: trace = 2.451789915531875 (1.37946e-07% change) linmin: converged after 3 iterations. iteration 899: trace = 2.451789911150354 (1.78707e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789909905673 (5.07662e-08% change) large trace change predicted (1.76165e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.451789905586541 (1.76162e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.451789904563604 (4.17221e-08% change) linmin: converged after 3 iterations. iteration 903: trace = 2.451789902854239 (6.97191e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.451789900655728 (8.96697e-08% change) linmin: converged after 2 iterations. iteration 905: trace = 2.451789897972549 (1.09438e-07% change) linmin: converged after 4 iterations. iteration 906: trace = 2.451789896889578 (4.41706e-08% change) large trace change predicted (1.05592e-07%) linmin: converged after 2 iterations. iteration 907: trace = 2.45178989430069 (1.05592e-07% change) linmin: converged after 2 iterations. iteration 908: trace = 2.451789890957687 (1.36349e-07% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789889732013 (4.9991e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.451789888533851 (4.88689e-08% change) large trace change predicted (1.2737e-07%) linmin: converged after 2 iterations. iteration 911: trace = 2.451789885411004 (1.2737e-07% change) linmin: converged after 4 iterations. iteration 912: trace = 2.451789882973843 (9.94033e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.451789881904536 (4.36133e-08% change) large trace change predicted (1.05932e-07%) linmin: converged after 4 iterations. iteration 914: trace = 2.451789879307316 (1.05932e-07% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789877254513 (8.37267e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.451789875938015 (5.36954e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.451789874643029 (5.2818e-08% change) large trace change predicted (1.47752e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789871020394 (1.47755e-07% change) linmin: converged after 4 iterations. iteration 919: trace = 2.451789870072425 (3.86643e-08% change) large trace change predicted (1.29495e-07%) linmin: converged after 6 iterations. iteration 920: trace = 2.45178986689743 (1.29497e-07% change) linmin: converged after 2 iterations. iteration 921: trace = 2.451789863729079 (1.29226e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.451789862594803 (4.62632e-08% change) large trace change predicted (1.72944e-07%) linmin: converged after 6 iterations. iteration 923: trace = 2.45178985835452 (1.72946e-07% change) linmin: converged after 18 iterations. iteration 924: trace = 2.451789854009284 (1.77227e-07% change) linmin: converged after 3 iterations. iteration 925: trace = 2.451789852099355 (7.78994e-08% change) large trace change predicted (2.94273e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789844884257 (2.94279e-07% change) linmin: converged after 19 iterations. iteration 927: trace = 2.451789839801303 (2.07316e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789837325225 (1.00991e-07% change) large trace change predicted (3.74766e-07%) linmin: converged after 3 iterations. iteration 929: trace = 2.451789828136397 (3.7478e-07% change) linmin: converged after 4 iterations. iteration 930: trace = 2.451789824134031 (1.63243e-07% change) linmin: converged after 7 iterations. iteration 931: trace = 2.451789820661545 (1.41631e-07% change) linmin: converged after 3 iterations. iteration 932: trace = 2.451789816782019 (1.58232e-07% change) linmin: converged after 9 iterations. iteration 933: trace = 2.451789813578717 (1.30652e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789812508383 (4.36552e-08% change) large trace change predicted (8.96536e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.451789810310252 (8.96541e-08% change) linmin: converged after 5 iterations. iteration 936: trace = 2.451789808910722 (5.7082e-08% change) linmin: converged after 11 iterations. iteration 937: trace = 2.451789807462006 (5.90881e-08% change) linmin: converged after 3 iterations. iteration 938: trace = 2.451789805875364 (6.47136e-08% change) linmin: converged after 15 iterations. iteration 939: trace = 2.451789802780504 (1.26229e-07% change) linmin: converged after 3 iterations. iteration 940: trace = 2.451789799165365 (1.47449e-07% change) linmin: converged after 7 iterations. iteration 941: trace = 2.451789796291298 (1.17223e-07% change) large trace change predicted (2.9045e-07%) linmin: converged after 4 iterations. iteration 942: trace = 2.451789789170184 (2.90446e-07% change) linmin: converged after 6 iterations. iteration 943: trace = 2.45178978657745 (1.05749e-07% change) large trace change predicted (2.46424e-07%) linmin: converged after 4 iterations. iteration 944: trace = 2.451789780535648 (2.46424e-07% change) linmin: converged after 7 iterations. iteration 945: trace = 2.451789774993603 (2.26041e-07% change) linmin: converged after 9 iterations. iteration 946: trace = 2.451789770389197 (1.87798e-07% change) linmin: converged after 3 iterations. iteration 947: trace = 2.451789765370563 (2.04693e-07% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789757170754 (3.34442e-07% change) linmin: converged after 19 iterations. iteration 949: trace = 2.451789755008747 (8.81808e-08% change) linmin: converged after 5 iterations. iteration 950: trace = 2.451789750811095 (1.71208e-07% change) linmin: converged after 4 iterations. iteration 951: trace = 2.451789748463809 (9.57377e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789747695404 (3.13406e-08% change) large trace change predicted (8.25276e-08%) linmin: converged after 4 iterations. iteration 953: trace = 2.45178974567201 (8.25272e-08% change) linmin: converged after 5 iterations. iteration 954: trace = 2.451789744313788 (5.53972e-08% change) linmin: converged after 2 iterations. iteration 955: trace = 2.451789743483708 (3.38561e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789741842887 (6.69234e-08% change) large trace change predicted (1.64795e-07%) linmin: converged after 19 iterations. iteration 957: trace = 2.451789737802367 (1.64799e-07% change) linmin: converged after 18 iterations. iteration 958: trace = 2.4517897369849 (3.33416e-08% change) large trace change predicted (2.40626e-07%) linmin: converged after 3 iterations. iteration 959: trace = 2.451789731084944 (2.40639e-07% change) linmin: converged after 13 iterations. iteration 960: trace = 2.451789727801833 (1.33907e-07% change) linmin: converged after 10 iterations. iteration 961: trace = 2.451789724031748 (1.53769e-07% change) linmin: converged after 17 iterations. iteration 962: trace = 2.451789717437777 (2.68945e-07% change) linmin: converged after 3 iterations. iteration 963: trace = 2.451789710619834 (2.7808e-07% change) linmin: converged after 3 iterations. iteration 964: trace = 2.451789708627269 (8.12698e-08% change) linmin: converged after 2 iterations. iteration 965: trace = 2.451789704819428 (1.55309e-07% change) linmin: converged after 2 iterations. iteration 966: trace = 2.451789700866408 (1.6123e-07% change) linmin: converged after 2 iterations. iteration 967: trace = 2.451789699702646 (4.74658e-08% change) large trace change predicted (1.65908e-07%) linmin: converged after 9 iterations. iteration 968: trace = 2.451789695634835 (1.65912e-07% change) linmin: converged after 18 iterations. iteration 969: trace = 2.451789692516184 (1.27199e-07% change) linmin: converged after 12 iterations. iteration 970: trace = 2.45178969012336 (9.7595e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.451789687186673 (1.19777e-07% change) linmin: converged after 4 iterations. iteration 972: trace = 2.451789684013402 (1.29427e-07% change) linmin: converged after 4 iterations. iteration 973: trace = 2.451789683230611 (3.19273e-08% change) large trace change predicted (1.54432e-07%) linmin: converged after 4 iterations. iteration 974: trace = 2.451789679444196 (1.54435e-07% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896774956 (7.94765e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.451789676277236 (4.96928e-08% change) large trace change predicted (1.45095e-07%) linmin: converged after 7 iterations. iteration 977: trace = 2.45178967271978 (1.45096e-07% change) linmin: converged after 3 iterations. iteration 978: trace = 2.451789668089779 (1.88842e-07% change) linmin: converged after 3 iterations. iteration 979: trace = 2.451789661871158 (2.53636e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.451789655978992 (2.40321e-07% change) linmin: converged after 7 iterations. iteration 981: trace = 2.451789651840893 (1.68779e-07% change) linmin: converged after 7 iterations. iteration 982: trace = 2.451789648976571 (1.16826e-07% change) linmin: converged after 2 iterations. iteration 983: trace = 2.451789647470846 (6.14133e-08% change) linmin: converged after 3 iterations. iteration 984: trace = 2.45178964574123 (7.0545e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789643545518 (8.95555e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.451789642173499 (5.59599e-08% change) large trace change predicted (1.1649e-07%) linmin: converged after 4 iterations. iteration 987: trace = 2.451789639317437 (1.16489e-07% change) linmin: converged after 25 iterations. iteration 988: trace = 2.451789637814333 (6.13064e-08% change) linmin: converged after 19 iterations. iteration 989: trace = 2.451789635294094 (1.02792e-07% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789632940412 (9.59985e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789631620998 (5.38143e-08% change) linmin: converged after 9 iterations. iteration 992: trace = 2.451789629097917 (1.02908e-07% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789626085564 (1.22863e-07% change) linmin: converged after 6 iterations. iteration 994: trace = 2.451789624882579 (4.90656e-08% change) linmin: converged after 3 iterations. iteration 995: trace = 2.451789622540261 (9.5535e-08% change) large trace change predicted (1.9429e-07%) linmin: converged after 29 iterations. iteration 996: trace = 2.451789617776852 (1.94283e-07% change) linmin: converged after 4 iterations. iteration 997: trace = 2.451789615236879 (1.03597e-07% change) linmin: converged after 5 iterations. iteration 998: trace = 2.451789612509987 (1.1122e-07% change) linmin: converged after 21 iterations. iteration 999: trace = 2.451789609317619 (1.30206e-07% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.451789607475173 (7.5147e-08% change) linmin: converged after 3 iterations. iteration 1001: trace = 2.451789605338165 (8.71612e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.451789602775535 (1.04521e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789602225163 (2.24477e-08% change) linmin: converged after 14 iterations. iteration 1004: trace = 2.451789601429678 (3.24451e-08% change) linmin: converged after 33 iterations. iteration 1005: trace = 2.45178960062488 (3.28249e-08% change) linmin: converged after 17 iterations. iteration 1006: trace = 2.451789600019859 (2.46767e-08% change) linmin: converged after 7 iterations. iteration 1007: trace = 2.4517895991516 (3.54133e-08% change) linmin: converged after 2 iterations. iteration 1008: trace = 2.451789597882093 (5.17788e-08% change) linmin: converged after 10 iterations. iteration 1009: trace = 2.451789596104106 (7.25179e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789594545208 (6.35821e-08% change) large trace change predicted (1.67227e-07%) linmin: converged after 5 iterations. iteration 1011: trace = 2.451789590444923 (1.67236e-07% change) linmin: converged after 25 iterations. iteration 1012: trace = 2.45178958769409 (1.12197e-07% change) linmin: converged after 14 iterations. iteration 1013: trace = 2.45178958573254 (8.00049e-08% change) linmin: converged after 18 iterations. iteration 1014: trace = 2.451789583208535 (1.02945e-07% change) linmin: converged after 10 iterations. iteration 1015: trace = 2.451789580460516 (1.12082e-07% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.451789579475492 (4.01757e-08% change) large trace change predicted (1.2567e-07%) linmin: converged after 4 iterations. iteration 1017: trace = 2.451789576394273 (1.25672e-07% change) linmin: converged after 13 iterations. iteration 1018: trace = 2.451789574570138 (7.44001e-08% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.451789573720643 (3.4648e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789572508435 (4.94418e-08% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.451789571573996 (3.81125e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.451789571273923 (1.22389e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.451789570750298 (2.13568e-08% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.451789570126833 (2.5429e-08% change) linmin: converged after 6 iterations. iteration 1025: trace = 2.451789569776392 (1.42933e-08% change) large trace change predicted (5.94042e-08%) linmin: converged after 6 iterations. iteration 1026: trace = 2.451789568319939 (5.94037e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.451789567457952 (3.51575e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.451789566347172 (4.53048e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.451789564307751 (8.31809e-08% change) linmin: converged after 8 iterations. iteration 1030: trace = 2.451789561996814 (9.42551e-08% change) linmin: converged after 6 iterations. iteration 1031: trace = 2.451789560545204 (5.92061e-08% change) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789558445644 (8.56338e-08% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.451789556752543 (6.90557e-08% change) linmin: converged after 2 iterations. iteration 1034: trace = 2.451789555747037 (4.10111e-08% change) linmin: converged after 8 iterations. iteration 1035: trace = 2.4517895541325 (6.58514e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789552990859 (4.65636e-08% change) linmin: converged after 10 iterations. iteration 1037: trace = 2.451789552597349 (1.60499e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.451789551828049 (3.13771e-08% change) linmin: converged after 11 iterations. iteration 1039: trace = 2.451789550596152 (5.02448e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.451789550296945 (1.22036e-08% change) large trace change predicted (4.1411e-08%) linmin: converged after 3 iterations. iteration 1041: trace = 2.451789549281639 (4.14108e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789548760959 (2.12367e-08% change) linmin: converged after 3 iterations. iteration 1043: trace = 2.451789548535636 (9.19014e-09% change) large trace change predicted (2.14469e-08%) linmin: converged after 2 iterations. iteration 1044: trace = 2.451789548009803 (2.14469e-08% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.45178954741993 (2.40589e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789547097788 (1.31391e-08% change) large trace change predicted (3.00318e-08%) linmin: converged after 25 iterations. iteration 1047: trace = 2.451789546361467 (3.0032e-08% change) linmin: converged after 2 iterations. iteration 1048: trace = 2.45178954531799 (4.25598e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.45178954503696 (1.14622e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.451789544764952 (1.10943e-08% change) large trace change predicted (3.87873e-08%) linmin: converged after 2 iterations. iteration 1051: trace = 2.451789543813969 (3.87873e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.451789543334399 (1.956e-08% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.451789542889757 (1.81354e-08% change) linmin: converged after 3 iterations. iteration 1054: trace = 2.451789542213203 (2.75943e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789541731634 (1.96415e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789541525542 (8.4058e-09% change) large trace change predicted (2.13722e-08%) linmin: converged after 7 iterations. iteration 1057: trace = 2.451789541001534 (2.13725e-08% change) linmin: converged after 10 iterations. iteration 1058: trace = 2.451789540308194 (2.82789e-08% change) linmin: converged after 10 iterations. iteration 1059: trace = 2.451789539845627 (1.88665e-08% change) large trace change predicted (4.14182e-08%) linmin: converged after 6 iterations. iteration 1060: trace = 2.451789538830124 (4.14188e-08% change) linmin: converged after 29 iterations. iteration 1061: trace = 2.451789538384306 (1.81834e-08% change) linmin: converged after 17 iterations. iteration 1062: trace = 2.45178953783625 (2.23533e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.451789536758813 (4.39449e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.451789536364786 (1.6071e-08% change) large trace change predicted (5.01252e-08%) linmin: converged after 4 iterations. iteration 1065: trace = 2.451789535135801 (5.0126e-08% change) linmin: converged after 11 iterations. iteration 1066: trace = 2.451789533249406 (7.69395e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178953210343 (4.67404e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.451789531377887 (2.95924e-08% change) large trace change predicted (8.92514e-08%) linmin: converged after 10 iterations. iteration 1069: trace = 2.451789529189583 (8.92533e-08% change) linmin: converged after 2 iterations. iteration 1070: trace = 2.451789528090198 (4.48401e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789527504516 (2.38879e-08% change) large trace change predicted (6.50385e-08%) linmin: converged after 9 iterations. iteration 1072: trace = 2.451789525909891 (6.50392e-08% change) linmin: converged after 3 iterations. iteration 1073: trace = 2.451789525135385 (3.15894e-08% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.451789524717338 (1.70507e-08% change) linmin: converged after 9 iterations. iteration 1075: trace = 2.451789524118881 (2.4409e-08% change) linmin: converged after 9 iterations. iteration 1076: trace = 2.451789523747809 (1.51347e-08% change) linmin: converged after 28 iterations. iteration 1077: trace = 2.451789523403682 (1.40358e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.451789522973627 (1.75404e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789522135468 (3.41856e-08% change) linmin: converged after 6 iterations. iteration 1080: trace = 2.451789521404868 (2.97986e-08% change) linmin: converged after 10 iterations. iteration 1081: trace = 2.451789520472709 (3.80195e-08% change) large trace change predicted (8.04058e-08%) linmin: converged after 7 iterations. iteration 1082: trace = 2.451789518501348 (8.0405e-08% change) linmin: converged after 2 iterations. iteration 1083: trace = 2.451789517822708 (2.76794e-08% change) large trace change predicted (5.94225e-08%) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789516365803 (5.94221e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789514886395 (6.03399e-08% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.451789513840043 (4.26771e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.451789512361514 (6.03041e-08% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.451789510120203 (9.14153e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789509586878 (2.17525e-08% change) large trace change predicted (4.46714e-08%) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789508491644 (4.46708e-08% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.451789507833981 (2.68238e-08% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789507554888 (1.13832e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.451789507161801 (1.60327e-08% change) linmin: converged after 3 iterations. iteration 1094: trace = 2.451789506798649 (1.48117e-08% change) linmin: converged after 2 iterations. iteration 1095: trace = 2.451789506329276 (1.91441e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789506109167 (8.97748e-09% change) large trace change predicted (4.59958e-08%) linmin: converged after 8 iterations. iteration 1097: trace = 2.451789504981427 (4.59966e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.45178950474344 (9.70666e-09% change) large trace change predicted (6.06069e-08%) linmin: converged after 19 iterations. iteration 1099: trace = 2.45178950325744 (6.06088e-08% change) linmin: converged after 20 iterations. iteration 1100: trace = 2.451789502095743 (4.73816e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.451789501405261 (2.81623e-08% change) large trace change predicted (6.9544e-08%) linmin: converged after 22 iterations. iteration 1102: trace = 2.451789499700134 (6.95462e-08% change) linmin: converged after 20 iterations. iteration 1103: trace = 2.451789497841726 (7.5798e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.451789497378323 (1.89006e-08% change) large trace change predicted (3.90832e-08%) linmin: converged after 4 iterations. iteration 1105: trace = 2.451789496420082 (3.90833e-08% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.451789495353078 (4.35194e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789494381687 (3.96197e-08% change) linmin: converged after 26 iterations. iteration 1108: trace = 2.45178949397928 (1.64128e-08% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.451789493224568 (3.07821e-08% change) linmin: converged after 3 iterations. iteration 1110: trace = 2.451789492080667 (4.66557e-08% change) linmin: converged after 7 iterations. iteration 1111: trace = 2.451789491803318 (1.13121e-08% change) large trace change predicted (3.89193e-08%) linmin: converged after 4 iterations. iteration 1112: trace = 2.451789490849095 (3.89195e-08% change) linmin: converged after 6 iterations. iteration 1113: trace = 2.451789490467708 (1.55555e-08% change) linmin: converged after 22 iterations. iteration 1114: trace = 2.451789489721389 (3.04397e-08% change) linmin: converged after 36 iterations. iteration 1115: trace = 2.451789489126382 (2.42683e-08% change) linmin: converged after 3 iterations. iteration 1116: trace = 2.451789488459372 (2.7205e-08% change) linmin: converged after 32 iterations. iteration 1117: trace = 2.451789488058363 (1.63558e-08% change) large trace change predicted (5.87847e-08%) linmin: converged after 3 iterations. iteration 1118: trace = 2.451789486617093 (5.87844e-08% change) large trace change predicted (1.4183e-07%) linmin: converged after 13 iterations. iteration 1119: trace = 2.451789483139668 (1.41832e-07% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1120: trace = 2.451789480630685 (1.02333e-07% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.451789478983771 (6.71719e-08% change) linmin: converged after 36 iterations. iteration 1122: trace = 2.451789478350402 (2.58329e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.451789477962928 (1.58037e-08% change) linmin: converged after 29 iterations. iteration 1124: trace = 2.451789477373786 (2.4029e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789476805078 (2.31957e-08% change) linmin: converged after 17 iterations. iteration 1126: trace = 2.45178947662315 (7.42022e-09% change) large trace change predicted (3.2743e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789475820365 (3.27428e-08% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.45178947564654 (7.08972e-09% change) large trace change predicted (3.14492e-08%) linmin: converged after 6 iterations. iteration 1129: trace = 2.451789474875475 (3.14491e-08% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.451789474248778 (2.55608e-08% change) linmin: converged after 13 iterations. iteration 1131: trace = 2.451789474036201 (8.67028e-09% change) large trace change predicted (3.17825e-08%) linmin: converged after 6 iterations. iteration 1132: trace = 2.451789473256964 (3.17824e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.451789472520535 (3.00364e-08% change) linmin: converged after 2 iterations. iteration 1134: trace = 2.451789471871875 (2.64566e-08% change) linmin: converged after 29 iterations. iteration 1135: trace = 2.451789471526069 (1.41042e-08% change) large trace change predicted (3.80841e-08%) linmin: converged after 3 iterations. iteration 1136: trace = 2.45178947059233 (3.8084e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.451789469664519 (3.78422e-08% change) linmin: converged after 11 iterations. iteration 1138: trace = 2.451789469091507 (2.33712e-08% change) linmin: converged after 6 iterations. iteration 1139: trace = 2.451789468374256 (2.92542e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.451789467590034 (3.19857e-08% change) linmin: converged after 3 iterations. iteration 1141: trace = 2.451789467339994 (1.01982e-08% change) large trace change predicted (2.61253e-08%) linmin: converged after 17 iterations. iteration 1142: trace = 2.45178946669946 (2.61252e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.451789466498957 (8.17785e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789466325133 (7.08966e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.451789466134469 (7.77652e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.451789465902062 (9.47908e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.451789465794777 (4.3758e-09% change) large trace change predicted (1.37995e-08%) linmin: converged after 5 iterations. iteration 1148: trace = 2.451789465456438 (1.37997e-08% change) linmin: converged after 22 iterations. iteration 1149: trace = 2.451789465165677 (1.18591e-08% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.451789464751201 (1.6905e-08% change) large trace change predicted (4.12834e-08%) linmin: converged after 20 iterations. iteration 1151: trace = 2.451789463738994 (4.12844e-08% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789463523387 (8.79385e-09% change) large trace change predicted (4.27125e-08%) linmin: converged after 7 iterations. iteration 1153: trace = 2.451789462476134 (4.27138e-08% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789461864873 (2.49312e-08% change) linmin: converged after 33 iterations. iteration 1155: trace = 2.451789461204659 (2.69278e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.451789460935516 (1.09774e-08% change) large trace change predicted (3.16184e-08%) linmin: converged after 16 iterations. iteration 1157: trace = 2.451789460160291 (3.16188e-08% change) linmin: converged after 26 iterations. iteration 1158: trace = 2.451789459934806 (9.19675e-09% change) large trace change predicted (1.87064e-08%) linmin: converged after 4 iterations. iteration 1159: trace = 2.451789459476167 (1.87063e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.451789459151386 (1.32467e-08% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.451789458887798 (1.07508e-08% change) linmin: converged after 16 iterations. iteration 1162: trace = 2.451789458797393 (3.68731e-09% change) linmin: converged after 2 iterations. iteration 1163: trace = 2.451789458716712 (3.29071e-09% change) large trace change predicted (8.21454e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.451789458515308 (8.21456e-09% change) linmin: converged after 28 iterations. iteration 1165: trace = 2.451789458457315 (2.36532e-09% change) large trace change predicted (1.35978e-08%) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789458123929 (1.35977e-08% change) linmin: converged after 2 iterations. iteration 1167: trace = 2.45178945783701 (1.17024e-08% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.451789457609028 (9.2986e-09% change) large trace change predicted (1.97294e-08%) linmin: converged after 7 iterations. iteration 1169: trace = 2.451789457125304 (1.97294e-08% change) linmin: converged after 6 iterations. iteration 1170: trace = 2.451789456375531 (3.05806e-08% change) linmin: converged after 25 iterations. iteration 1171: trace = 2.451789456195479 (7.34371e-09% change) large trace change predicted (2.14775e-08%) linmin: converged after 4 iterations. iteration 1172: trace = 2.451789455668895 (2.14775e-08% change) linmin: converged after 14 iterations. iteration 1173: trace = 2.451789455137738 (2.16641e-08% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.451789454982709 (6.32313e-09% change) large trace change predicted (1.54635e-08%) linmin: converged after 3 iterations. iteration 1175: trace = 2.451789454603575 (1.54635e-08% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.451789454303246 (1.22494e-08% change) linmin: converged after 21 iterations. iteration 1177: trace = 2.451789454212239 (3.71187e-09% change) large trace change predicted (8.45974e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.451789454004825 (8.4597e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.451789453753912 (1.02339e-08% change) linmin: converged after 18 iterations. iteration 1180: trace = 2.451789453664577 (3.64367e-09% change) large trace change predicted (9.73272e-09%) linmin: converged after 23 iterations. iteration 1181: trace = 2.451789453425953 (9.73266e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.451789453270331 (6.34725e-09% change) linmin: converged after 3 iterations. iteration 1183: trace = 2.451789453209195 (2.49353e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789453100968 (4.41423e-09% change) linmin: converged after 3 iterations. iteration 1185: trace = 2.45178945293042 (6.95604e-09% change) linmin: converged after 15 iterations. iteration 1186: trace = 2.451789452865569 (2.64506e-09% change) large trace change predicted (6.84024e-09%) linmin: converged after 2 iterations. iteration 1187: trace = 2.451789452697859 (6.84029e-09% change) linmin: converged after 17 iterations. iteration 1188: trace = 2.451789452451036 (1.00671e-08% change) linmin: converged after 5 iterations. iteration 1189: trace = 2.451789452391796 (2.41622e-09% change) resetting CG direction... linmin: converged after 18 iterations. iteration 1190: trace = 2.451789452334151 (2.35112e-09% change) large trace change predicted (9.16378e-09%) linmin: converged after 3 iterations. iteration 1191: trace = 2.451789452109475 (9.16375e-09% change) linmin: converged after 15 iterations. iteration 1192: trace = 2.451789451950074 (6.50145e-09% change) linmin: converged after 31 iterations. iteration 1193: trace = 2.451789451879825 (2.8652e-09% change) large trace change predicted (6.53685e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.451789451719554 (6.53691e-09% change) linmin: converged after 10 iterations. iteration 1195: trace = 2.45178945160773 (4.56089e-09% change) linmin: converged after 18 iterations. iteration 1196: trace = 2.451789451553128 (2.22703e-09% change) large trace change predicted (5.65989e-09%) linmin: converged after 26 iterations. iteration 1197: trace = 2.45178945141436 (5.65985e-09% change) linmin: converged after 19 iterations. iteration 1198: trace = 2.451789451241763 (7.03964e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.451789451126908 (4.68457e-09% change) large trace change predicted (9.36931e-09%) linmin: converged after 8 iterations. iteration 1200: trace = 2.45178945089719 (9.3694e-09% change) linmin: converged after 26 iterations. iteration 1201: trace = 2.451789450723077 (7.10144e-09% change) linmin: converged after 5 iterations. iteration 1202: trace = 2.451789450640961 (3.34923e-09% change) large trace change predicted (1.11309e-08%) linmin: converged after 4 iterations. iteration 1203: trace = 2.451789450368054 (1.1131e-08% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.45178945005646 (1.27088e-08% change) linmin: converged after 22 iterations. iteration 1205: trace = 2.451789449939653 (4.76417e-09% change) large trace change predicted (1.8365e-08%) linmin: converged after 10 iterations. iteration 1206: trace = 2.451789449489383 (1.83649e-08% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.451789449160268 (1.34235e-08% change) linmin: converged after 26 iterations. iteration 1208: trace = 2.451789449004344 (6.35961e-09% change) large trace change predicted (2.29834e-08%) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789448440838 (2.29835e-08% change) linmin: converged after 12 iterations. iteration 1210: trace = 2.45178944813881 (1.23187e-08% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.451789447946779 (7.83229e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789447651878 (1.2028e-08% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.451789447408313 (9.93416e-09% change) linmin: converged after 18 iterations. iteration 1214: trace = 2.45178944736742 (1.66789e-09% change) large trace change predicted (5.24522e-09%) linmin: converged after 15 iterations. iteration 1215: trace = 2.451789447238819 (5.24519e-09% change) linmin: converged after 19 iterations. iteration 1216: trace = 2.451789447156592 (3.35376e-09% change) linmin: converged after 26 iterations. iteration 1217: trace = 2.45178944711895 (1.5353e-09% change) large trace change predicted (6.89067e-09%) linmin: converged after 24 iterations. iteration 1218: trace = 2.451789446950006 (6.89064e-09% change) linmin: converged after 7 iterations. iteration 1219: trace = 2.451789446732954 (8.85277e-09% change) linmin: converged after 2 iterations. iteration 1220: trace = 2.451789446535058 (8.07151e-09% change) linmin: converged after 24 iterations. iteration 1221: trace = 2.451789446293877 (9.83693e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.451789445815967 (1.94923e-08% change) linmin: converged after 6 iterations. iteration 1223: trace = 2.451789445384576 (1.7595e-08% change) linmin: converged after 24 iterations. iteration 1224: trace = 2.451789445221217 (6.66282e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789444930302 (1.18654e-08% change) large trace change predicted (2.38292e-08%) linmin: converged after 9 iterations. iteration 1226: trace = 2.451789444346066 (2.3829e-08% change) linmin: converged after 24 iterations. iteration 1227: trace = 2.451789444229092 (4.77096e-09% change) large trace change predicted (2.11461e-08%) linmin: converged after 11 iterations. iteration 1228: trace = 2.451789443710641 (2.11458e-08% change) linmin: converged after 27 iterations. iteration 1229: trace = 2.451789443500719 (8.562e-09% change) linmin: converged after 12 iterations. iteration 1230: trace = 2.451789443342569 (6.45041e-09% change) linmin: converged after 20 iterations. iteration 1231: trace = 2.45178944317527 (6.82353e-09% change) linmin: converged after 3 iterations. iteration 1232: trace = 2.451789443052179 (5.02047e-09% change) linmin: converged after 3 iterations. iteration 1233: trace = 2.451789443001578 (2.06383e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.451789442926398 (3.06634e-09% change) linmin: converged after 2 iterations. iteration 1235: trace = 2.451789442781727 (5.90063e-09% change) linmin: converged after 36 iterations. iteration 1236: trace = 2.451789442737156 (1.81786e-09% change) large trace change predicted (1.20492e-08%) linmin: converged after 13 iterations. iteration 1237: trace = 2.451789442441735 (1.20492e-08% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789442200093 (9.85575e-09% change) linmin: converged after 23 iterations. iteration 1239: trace = 2.451789441987182 (8.6839e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.451789441667105 (1.30548e-08% change) linmin: converged after 7 iterations. iteration 1241: trace = 2.451789441241778 (1.73476e-08% change) linmin: converged after 13 iterations. iteration 1242: trace = 2.451789441091672 (6.12231e-09% change) large trace change predicted (1.68267e-08%) linmin: converged after 4 iterations. iteration 1243: trace = 2.451789440679111 (1.68269e-08% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789440433159 (1.00315e-08% change) linmin: converged after 21 iterations. iteration 1245: trace = 2.451789440332957 (4.0869e-09% change) large trace change predicted (1.06262e-08%) linmin: converged after 7 iterations. iteration 1246: trace = 2.451789440072424 (1.06262e-08% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.451789439816958 (1.04196e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.451789439638582 (7.27534e-09% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.451789439544426 (3.84027e-09% change) large trace change predicted (1.204e-08%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789439249227 (1.20402e-08% change) linmin: converged after 15 iterations. iteration 1251: trace = 2.451789439129806 (4.87078e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.451789438969213 (6.55003e-09% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.451789438735243 (9.5428e-09% change) linmin: converged after 2 iterations. iteration 1254: trace = 2.451789438648958 (3.51929e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.4517894385467 (4.17074e-09% change) large trace change predicted (9.20671e-09%) linmin: converged after 26 iterations. iteration 1256: trace = 2.45178943832097 (9.20673e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.451789438226698 (3.84503e-09% change) large trace change predicted (1.40748e-08%) linmin: converged after 4 iterations. iteration 1258: trace = 2.451789437881618 (1.40746e-08% change) large trace change predicted (1.02602e-07%) linmin: converged after 10 iterations. iteration 1259: trace = 2.451789435366005 (1.02603e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789433878098 (6.06866e-08% change) linmin: converged after 7 iterations. iteration 1261: trace = 2.451789433256536 (2.53514e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.451789433047301 (8.53395e-09% change) linmin: converged after 6 iterations. iteration 1263: trace = 2.451789432970581 (3.12916e-09% change) linmin: converged after 21 iterations. iteration 1264: trace = 2.451789432843702 (5.17495e-09% change) linmin: converged after 24 iterations. iteration 1265: trace = 2.451789432739367 (4.25545e-09% change) linmin: converged after 22 iterations. iteration 1266: trace = 2.451789432623807 (4.71331e-09% change) linmin: converged after 21 iterations. iteration 1267: trace = 2.451789432576843 (1.91547e-09% change) large trace change predicted (5.83693e-09%) linmin: converged after 4 iterations. iteration 1268: trace = 2.451789432433737 (5.83683e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789432391423 (1.72583e-09% change) large trace change predicted (5.45718e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.451789432257627 (5.45706e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.451789432155805 (4.15297e-09% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.451789432106585 (2.00752e-09% change) large trace change predicted (5.58408e-09%) linmin: converged after 9 iterations. iteration 1273: trace = 2.451789431969674 (5.58412e-09% change) linmin: converged after 21 iterations. iteration 1274: trace = 2.451789431830889 (5.66054e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789431776769 (2.2074e-09% change) large trace change predicted (6.62686e-09%) linmin: converged after 4 iterations. iteration 1276: trace = 2.451789431614293 (6.62681e-09% change) linmin: converged after 6 iterations. iteration 1277: trace = 2.451789431420385 (7.90887e-09% change) linmin: converged after 24 iterations. iteration 1278: trace = 2.451789431314295 (4.32702e-09% change) linmin: converged after 21 iterations. iteration 1279: trace = 2.451789431150426 (6.68365e-09% change) linmin: converged after 17 iterations. iteration 1280: trace = 2.451789431008692 (5.78085e-09% change) linmin: converged after 21 iterations. iteration 1281: trace = 2.451789430897196 (4.54754e-09% change) linmin: converged after 19 iterations. iteration 1282: trace = 2.451789430809749 (3.56668e-09% change) linmin: converged after 23 iterations. iteration 1283: trace = 2.451789430674089 (5.53308e-09% change) linmin: converged after 7 iterations. iteration 1284: trace = 2.451789430653522 (8.38843e-10% change) large trace change predicted (2.42467e-09%) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789430594074 (2.42468e-09% change) linmin: converged after 22 iterations. iteration 1286: trace = 2.451789430545888 (1.96535e-09% change) linmin: converged after 4 iterations. iteration 1287: trace = 2.451789430482413 (2.58893e-09% change) linmin: converged after 13 iterations. iteration 1288: trace = 2.451789430463206 (7.83399e-10% change) large trace change predicted (2.52053e-09%) linmin: converged after 26 iterations. iteration 1289: trace = 2.451789430401406 (2.5206e-09% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789430305257 (3.92158e-09% change) linmin: converged after 21 iterations. iteration 1291: trace = 2.451789430266636 (1.5752e-09% change) large trace change predicted (4.75857e-09%) linmin: converged after 3 iterations. iteration 1292: trace = 2.451789430149964 (4.75865e-09% change) linmin: converged after 27 iterations. iteration 1293: trace = 2.451789430024553 (5.11509e-09% change) linmin: converged after 12 iterations. iteration 1294: trace = 2.451789429962301 (2.53904e-09% change) linmin: converged after 4 iterations. iteration 1295: trace = 2.451789429845037 (4.78281e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.45178942967521 (6.92665e-09% change) linmin: converged after 22 iterations. iteration 1297: trace = 2.451789429603708 (2.91632e-09% change) large trace change predicted (8.59973e-09%) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789429392857 (8.5999e-09% change) linmin: converged after 31 iterations. iteration 1299: trace = 2.451789429256205 (5.57356e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789429222892 (1.35872e-09% change) linmin: converged after 5 iterations. iteration 1301: trace = 2.451789429170611 (2.13234e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789429130043 (1.65465e-09% change) linmin: converged after 17 iterations. iteration 1303: trace = 2.451789429119601 (4.25888e-10% change) large trace change predicted (1.07072e-09%) linmin: converged after 2 iterations. iteration 1304: trace = 2.45178942909335 (1.07067e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.451789429051677 (1.69973e-09% change) linmin: converged after 10 iterations. iteration 1306: trace = 2.451789429038133 (5.52406e-10% change) large trace change predicted (2.85414e-09%) linmin: converged after 4 iterations. iteration 1307: trace = 2.451789428968158 (2.85404e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.451789428904058 (2.61439e-09% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.451789428839541 (2.63144e-09% change) linmin: converged after 7 iterations. iteration 1310: trace = 2.451789428783396 (2.28997e-09% change) large trace change predicted (6.34187e-09%) linmin: converged after 21 iterations. iteration 1311: trace = 2.451789428627906 (6.34187e-09% change) linmin: converged after 6 iterations. iteration 1312: trace = 2.451789428579326 (1.98142e-09% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.451789428516601 (2.55833e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.451789428410657 (4.32111e-09% change) linmin: converged after 5 iterations. iteration 1315: trace = 2.451789428382971 (1.12919e-09% change) large trace change predicted (3.50463e-09%) linmin: converged after 25 iterations. iteration 1316: trace = 2.451789428297045 (3.50462e-09% change) linmin: converged after 16 iterations. iteration 1317: trace = 2.451789428229989 (2.73497e-09% change) linmin: converged after 3 iterations. iteration 1318: trace = 2.451789428206863 (9.43263e-10% change) linmin: converged after 2 iterations. iteration 1319: trace = 2.451789428162945 (1.79124e-09% change) linmin: converged after 21 iterations. iteration 1320: trace = 2.451789428107597 (2.25748e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.451789428079873 (1.13075e-09% change) linmin: converged after 2 iterations. iteration 1322: trace = 2.451789428055299 (1.00229e-09% change) linmin: converged after 6 iterations. iteration 1323: trace = 2.45178942802734 (1.14033e-09% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.451789428007094 (8.25802e-10% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.451789427995403 (4.76821e-10% change) large trace change predicted (1.59393e-09%) linmin: converged after 9 iterations. iteration 1326: trace = 2.451789427956322 (1.59397e-09% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.451789427914213 (1.71748e-09% change) linmin: converged after 7 iterations. iteration 1328: trace = 2.451789427885572 (1.16819e-09% change) linmin: converged after 2 iterations. iteration 1329: trace = 2.451789427860202 (1.03473e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1330: trace = 2.451789427837171 (9.39369e-10% change) linmin: converged after 5 iterations. iteration 1331: trace = 2.451789427813297 (9.73747e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.451789427779709 (1.36991e-09% change) linmin: converged after 6 iterations. iteration 1333: trace = 2.451789427758982 (8.45382e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.451789427739425 (7.9769e-10% change) linmin: converged after 18 iterations. iteration 1335: trace = 2.451789427713917 (1.04038e-09% change) linmin: converged after 16 iterations. iteration 1336: trace = 2.451789427699441 (5.90425e-10% change) linmin: converged after 20 iterations. iteration 1337: trace = 2.45178942767709 (9.11602e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.45178942763282 (1.80562e-09% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.451789427621961 (4.42896e-10% change) large trace change predicted (1.8204e-09%) linmin: converged after 7 iterations. iteration 1340: trace = 2.451789427577328 (1.82041e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789427541467 (1.46267e-09% change) linmin: converged after 11 iterations. iteration 1342: trace = 2.451789427520964 (8.36253e-10% change) large trace change predicted (1.73539e-09%) linmin: converged after 30 iterations. iteration 1343: trace = 2.451789427478416 (1.73539e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.451789427413101 (2.66395e-09% change) linmin: converged after 16 iterations. iteration 1345: trace = 2.45178942739219 (8.52898e-10% change) large trace change predicted (3.48547e-09%) linmin: converged after 21 iterations. iteration 1346: trace = 2.451789427306734 (3.48544e-09% change) linmin: converged after 18 iterations. iteration 1347: trace = 2.451789427233634 (2.9815e-09% change) linmin: converged after 8 iterations. iteration 1348: trace = 2.451789427203547 (1.22716e-09% change) large trace change predicted (4.76998e-09%) linmin: converged after 8 iterations. iteration 1349: trace = 2.451789427086593 (4.77013e-09% change) linmin: converged after 3 iterations. iteration 1350: trace = 2.451789427029377 (2.33366e-09% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.451789426949519 (3.25711e-09% change) linmin: converged after 11 iterations. iteration 1352: trace = 2.451789426938215 (4.61063e-10% change) large trace change predicted (1.99861e-09%) linmin: converged after 20 iterations. iteration 1353: trace = 2.451789426889213 (1.99863e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.451789426874615 (5.95406e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.451789426861922 (5.17684e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.451789426839075 (9.3187e-10% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.451789426822449 (6.78109e-10% change) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789426800897 (8.79035e-10% change) large trace change predicted (1.82979e-09%) linmin: converged after 16 iterations. iteration 1359: trace = 2.451789426756036 (1.82972e-09% change) linmin: converged after 22 iterations. iteration 1360: trace = 2.451789426687717 (2.78648e-09% change) linmin: converged after 20 iterations. iteration 1361: trace = 2.451789426665331 (9.13033e-10% change) large trace change predicted (3.55266e-09%) linmin: converged after 4 iterations. iteration 1362: trace = 2.451789426578227 (3.55269e-09% change) linmin: converged after 16 iterations. iteration 1363: trace = 2.451789426483567 (3.86085e-09% change) linmin: converged after 7 iterations. iteration 1364: trace = 2.451789426448853 (1.41586e-09% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.451789426396778 (2.12395e-09% change) large trace change predicted (4.86206e-09%) linmin: converged after 4 iterations. iteration 1366: trace = 2.451789426277574 (4.86193e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.45178942617991 (3.98336e-09% change) linmin: converged after 13 iterations. iteration 1368: trace = 2.451789426157195 (9.26473e-10% change) large trace change predicted (2.34013e-09%) linmin: converged after 21 iterations. iteration 1369: trace = 2.451789426099818 (2.3402e-09% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.45178942606264 (1.51637e-09% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.451789426053544 (3.70988e-10% change) large trace change predicted (8.90213e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.451789426031716 (8.90283e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789426013754 (7.32629e-10% change) linmin: converged after 4 iterations. iteration 1374: trace = 2.451789426007426 (2.5809e-10% change) large trace change predicted (1.31908e-09%) linmin: converged after 4 iterations. iteration 1375: trace = 2.451789425975084 (1.31911e-09% change) linmin: converged after 22 iterations. iteration 1376: trace = 2.451789425925529 (2.02118e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789425903246 (9.08867e-10% change) large trace change predicted (2.20418e-09%) linmin: converged after 6 iterations. iteration 1378: trace = 2.451789425849205 (2.20415e-09% change) linmin: converged after 2 iterations. iteration 1379: trace = 2.451789425776035 (2.98435e-09% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.45178942575533 (8.44476e-10% change) large trace change predicted (4.19777e-09%) linmin: converged after 5 iterations. iteration 1381: trace = 2.451789425652413 (4.19762e-09% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.451789425595878 (2.30586e-09% change) linmin: converged after 11 iterations. iteration 1383: trace = 2.451789425563314 (1.3282e-09% change) linmin: converged after 8 iterations. iteration 1384: trace = 2.451789425505613 (2.35342e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789425453373 (2.13069e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.451789425436828 (6.74795e-10% change) large trace change predicted (2.05032e-09%) linmin: converged after 18 iterations. iteration 1387: trace = 2.451789425386556 (2.05045e-09% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.451789425349372 (1.51657e-09% change) linmin: converged after 15 iterations. iteration 1389: trace = 2.451789425332057 (7.06239e-10% change) large trace change predicted (2.23419e-09%) linmin: converged after 6 iterations. iteration 1390: trace = 2.451789425277283 (2.23404e-09% change) linmin: converged after 15 iterations. iteration 1391: trace = 2.451789425231565 (1.86466e-09% change) linmin: converged after 2 iterations. iteration 1392: trace = 2.451789425218463 (5.34384e-10% change) large trace change predicted (1.21945e-09%) linmin: converged after 9 iterations. iteration 1393: trace = 2.451789425188565 (1.21945e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.451789425157625 (1.26192e-09% change) linmin: converged after 13 iterations. iteration 1395: trace = 2.451789425138586 (7.76535e-10% change) large trace change predicted (1.64594e-09%) linmin: converged after 4 iterations. iteration 1396: trace = 2.451789425098232 (1.64592e-09% change) linmin: converged after 20 iterations. iteration 1397: trace = 2.451789425038035 (2.45523e-09% change) linmin: converged after 26 iterations. iteration 1398: trace = 2.45178942495501 (3.38631e-09% change) large trace change predicted (1.41341e-08%) linmin: converged after 28 iterations. iteration 1399: trace = 2.451789424608471 (1.41341e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.451789424330125 (1.13528e-08% change) linmin: converged after 2 iterations. iteration 1401: trace = 2.451789424273012 (2.32944e-09% change) linmin: converged after 18 iterations. iteration 1402: trace = 2.45178942422672 (1.88812e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.451789424185634 (1.67575e-09% change) linmin: converged after 18 iterations. iteration 1404: trace = 2.451789424171285 (5.85245e-10% change) linmin: converged after 13 iterations. iteration 1405: trace = 2.451789424147403 (9.74073e-10% change) linmin: converged after 8 iterations. iteration 1406: trace = 2.451789424122435 (1.01836e-09% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.451789424114636 (3.18098e-10% change) large trace change predicted (1.24764e-09%) linmin: converged after 4 iterations. iteration 1408: trace = 2.451789424084049 (1.24751e-09% change) linmin: converged after 6 iterations. iteration 1409: trace = 2.451789424059581 (9.98001e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789424047643 (4.86892e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.451789424031571 (6.55504e-10% change) linmin: converged after 19 iterations. iteration 1412: trace = 2.451789424001313 (1.23416e-09% change) linmin: converged after 10 iterations. iteration 1413: trace = 2.451789423991946 (3.82018e-10% change) large trace change predicted (1.3122e-09%) linmin: converged after 4 iterations. iteration 1414: trace = 2.451789423959771 (1.31231e-09% change) linmin: converged after 4 iterations. iteration 1415: trace = 2.451789423924466 (1.43999e-09% change) linmin: converged after 15 iterations. iteration 1416: trace = 2.45178942391048 (5.70428e-10% change) large trace change predicted (1.56491e-09%) linmin: converged after 5 iterations. iteration 1417: trace = 2.451789423872111 (1.56495e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.451789423828485 (1.77934e-09% change) linmin: converged after 20 iterations. iteration 1419: trace = 2.451789423814215 (5.82039e-10% change) linmin: converged after 21 iterations. iteration 1420: trace = 2.451789423792063 (9.03506e-10% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.451789423752354 (1.61956e-09% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.451789423742226 (4.131e-10% change) large trace change predicted (1.0001e-09%) linmin: converged after 19 iterations. iteration 1423: trace = 2.451789423717707 (1.00005e-09% change) linmin: converged after 8 iterations. iteration 1424: trace = 2.451789423706942 (4.39074e-10% change) linmin: converged after 17 iterations. iteration 1425: trace = 2.451789423700462 (2.64285e-10% change) linmin: converged after 18 iterations. iteration 1426: trace = 2.451789423689513 (4.46554e-10% change) linmin: converged after 13 iterations. iteration 1427: trace = 2.451789423673482 (6.53856e-10% change) linmin: converged after 6 iterations. iteration 1428: trace = 2.451789423669334 (1.6921e-10% change) large trace change predicted (4.72408e-10%) linmin: converged after 4 iterations. iteration 1429: trace = 2.451789423657752 (4.72383e-10% change) linmin: converged after 5 iterations. iteration 1430: trace = 2.451789423642428 (6.24984e-10% change) linmin: converged after 10 iterations. iteration 1431: trace = 2.451789423630924 (4.69232e-10% change) linmin: converged after 14 iterations. iteration 1432: trace = 2.451789423615611 (6.2455e-10% change) linmin: converged after 2 iterations. iteration 1433: trace = 2.451789423588781 (1.09432e-09% change) linmin: converged after 4 iterations. iteration 1434: trace = 2.451789423564947 (9.72099e-10% change) linmin: converged after 6 iterations. iteration 1435: trace = 2.451789423526965 (1.54914e-09% change) linmin: converged after 17 iterations. iteration 1436: trace = 2.451789423512263 (5.99644e-10% change) large trace change predicted (2.27356e-09%) linmin: converged after 5 iterations. iteration 1437: trace = 2.451789423456522 (2.27349e-09% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.451789423435572 (8.54492e-10% change) linmin: converged after 23 iterations. iteration 1439: trace = 2.451789423416287 (7.86551e-10% change) linmin: converged after 11 iterations. iteration 1440: trace = 2.451789423403261 (5.31305e-10% change) linmin: converged after 6 iterations. iteration 1441: trace = 2.451789423395268 (3.25977e-10% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.451789423391876 (1.38364e-10% change) linmin: converged after 6 iterations. iteration 1443: trace = 2.45178942338634 (2.25777e-10% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.45178942338033 (2.45139e-10% change) linmin: converged after 3 iterations. iteration 1445: trace = 2.451789423375478 (1.97901e-10% change) large trace change predicted (6.00098e-10%) linmin: converged after 14 iterations. iteration 1446: trace = 2.451789423360763 (6.0017e-10% change) linmin: converged after 3 iterations. iteration 1447: trace = 2.45178942335683 (1.60426e-10% change) large trace change predicted (4.48501e-10%) linmin: converged after 15 iterations. iteration 1448: trace = 2.451789423345835 (4.4842e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.45178942332878 (6.95643e-10% change) linmin: converged after 9 iterations. iteration 1450: trace = 2.451789423320378 (3.42677e-10% change) large trace change predicted (1.0177e-09%) linmin: converged after 4 iterations. iteration 1451: trace = 2.45178942329543 (1.01754e-09% change) linmin: converged after 3 iterations. iteration 1452: trace = 2.451789423276987 (7.52245e-10% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.451789423268175 (3.59414e-10% change) large trace change predicted (8.42111e-10%) linmin: converged after 9 iterations. iteration 1454: trace = 2.451789423247528 (8.42103e-10% change) linmin: converged after 16 iterations. iteration 1455: trace = 2.451789423223894 (9.6393e-10% change) linmin: converged after 12 iterations. iteration 1456: trace = 2.451789423208913 (6.11037e-10% change) linmin: converged after 8 iterations. iteration 1457: trace = 2.451789423202641 (2.55826e-10% change) linmin: converged after 10 iterations. iteration 1458: trace = 2.451789423192569 (4.108e-10% change) linmin: converged after 7 iterations. iteration 1459: trace = 2.451789423181072 (4.68924e-10% change) linmin: converged after 15 iterations. iteration 1460: trace = 2.451789423178502 (1.04801e-10% change) large trace change predicted (3.50148e-10%) linmin: converged after 6 iterations. iteration 1461: trace = 2.451789423169914 (3.50267e-10% change) linmin: converged after 16 iterations. iteration 1462: trace = 2.451789423164941 (2.02846e-10% change) linmin: converged after 17 iterations. iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 11.323221445083618 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836223782001 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710721454537 (0.719331% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945406997686 (0.6299% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433574138305 (0.140857% change) large trace change predicted (0.375525%) linmin: converged after 10 iterations. iteration 5: trace = 2.481386186433904 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821681916148 (0.103403% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784112846906 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421556558818 (0.0954721% change) linmin: converged after 4 iterations. iteration 9: trace = 2.47247156210758 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069106423442 (0.0567389% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689347126524 (0.0153694% change) large trace change predicted (0.0415687%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653327122731 (0.0419412% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044099555911 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577470692296 (0.018901% change) linmin: converged after 3 iterations. iteration 15: trace = 2.467728690942992 (0.0343893% change) linmin: converged after 3 iterations. iteration 16: trace = 2.46745300556574 (0.0111722% change) large trace change predicted (0.040824%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432221684716 (0.0413785% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143780684861 (0.0116953% change) linmin: converged after 3 iterations. iteration 19: trace = 2.465689795665475 (0.0184104% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064631640342 (0.0253577% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844089931834 (0.00894709% change) large trace change predicted (0.0298112%) linmin: converged after 5 iterations. iteration 22: trace = 2.464107085009973 (0.0299051% change) linmin: converged after 4 iterations. iteration 23: trace = 2.463924808079277 (0.00739755% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417662980171 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917884177778 (0.0202901% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692763668878 (0.00914082% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.4620093727337 (0.0277536% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750403472557 (0.0105192% change) large trace change predicted (0.0224547%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203412627468 (0.0222221% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687193110629 (0.0209765% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471923393098 (0.00874874% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.459844983792497 (0.0254837% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427602421306 (0.0169692% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157446319106 (0.0109851% change) large trace change predicted (0.0241643%) linmin: converged after 5 iterations. iteration 35: trace = 2.458586737331902 (0.0232102% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222225323346 (0.0148272% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860085379453 (0.0147329% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513773299919 (0.014091% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457345537405587 (0.00684601% change) linmin: converged after 6 iterations. iteration 40: trace = 2.45703034207314 (0.0128275% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456937176544063 (0.00379187% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770809803269 (0.00677154% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644867623719 (0.00512646% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574907473046 (0.00284783% change) large trace change predicted (0.00678889%) linmin: converged after 4 iterations. iteration 45: trace = 2.45640989898521 (0.00671724% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322333503604 (0.00356484% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238010855364 (0.00343294% change) linmin: converged after 5 iterations. iteration 48: trace = 2.456190495724837 (0.00193449% change) large trace change predicted (0.00555259%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054376501079 (0.00554204% change) linmin: converged after 10 iterations. iteration 50: trace = 2.456008476736466 (0.00186886% change) large trace change predicted (0.00438779%) linmin: converged after 3 iterations. iteration 51: trace = 2.455900532670498 (0.0043952% change) linmin: converged after 4 iterations. iteration 52: trace = 2.455832272134057 (0.00277949% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712405685762 (0.00488101% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665064720349 (0.00192781% change) large trace change predicted (0.00469267%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549299739854 (0.00471431% change) linmin: converged after 8 iterations. iteration 56: trace = 2.455472788491667 (0.0031159% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45535529713201 (0.00478499% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455240382596921 (0.00468027% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056695397887 (0.00748171% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878903542058 (0.00724213% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746685563653 (0.00538607% change) linmin: converged after 4 iterations. iteration 62: trace = 2.454558719119076 (0.00765756% change) linmin: converged after 5 iterations. iteration 63: trace = 2.454456214757973 (0.00417617% change) large trace change predicted (0.0093065%) linmin: converged after 4 iterations. iteration 64: trace = 2.454226050106184 (0.00937786% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124993638424 (0.00411774% change) linmin: converged after 3 iterations. iteration 66: trace = 2.453937947114079 (0.00762201% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808924524141 (0.00525792% change) linmin: converged after 5 iterations. iteration 68: trace = 2.453622752439474 (0.00758735% change) linmin: converged after 8 iterations. iteration 69: trace = 2.453502290651681 (0.00490967% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453443032160796 (0.00241529% change) large trace change predicted (0.00624621%) linmin: converged after 10 iterations. iteration 71: trace = 2.453289852552315 (0.00624365% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139627224052 (0.00612361% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047589137037 (0.00375192% change) large trace change predicted (0.00966943%) linmin: converged after 4 iterations. iteration 74: trace = 2.452811120127543 (0.00964027% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613550181715 (0.00805516% change) linmin: converged after 12 iterations. iteration 76: trace = 2.452556513243382 (0.00232558% change) large trace change predicted (0.00551969%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421751157438 (0.00549491% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338171908109 (0.00340809% change) linmin: converged after 3 iterations. iteration 79: trace = 2.452304528611742 (0.0013719% change) large trace change predicted (0.00452318%) linmin: converged after 7 iterations. iteration 80: trace = 2.452193711038556 (0.00451902% change) linmin: converged after 3 iterations. iteration 81: trace = 2.45208375148069 (0.00448423% change) linmin: converged after 5 iterations. iteration 82: trace = 2.452050074217855 (0.00137342% change) large trace change predicted (0.00426051%) linmin: converged after 3 iterations. iteration 83: trace = 2.451945262619128 (0.00427454% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451876310389238 (0.00281218% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838832456642 (0.00152855% change) large trace change predicted (0.00517283%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711427988326 (0.00519642% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670646216947 (0.00166341% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615519044859 (0.00224858% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565621590008 (0.00203531% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451543027522145 (0.000921622% change) large trace change predicted (0.00192522%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495728261631 (0.00192939% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437605040677 (0.00237096% change) linmin: converged after 4 iterations. iteration 93: trace = 2.451416673918753 (0.000853834% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379894691538 (0.00150034% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451331042382565 (0.00199287% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320221847723 (0.000441416% change) large trace change predicted (0.00157851%) linmin: converged after 4 iterations. iteration 97: trace = 2.451281413782899 (0.00158316% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451252091299369 (0.00119622% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242581911746 (0.000387941% change) large trace change predicted (0.00130295%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210624800765 (0.00130372% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185412647113 (0.00102856% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451169674858531 (0.00064205% change) large trace change predicted (0.00233933%) linmin: converged after 5 iterations. iteration 103: trace = 2.451112375676283 (0.00233765% change) linmin: converged after 5 iterations. iteration 104: trace = 2.451069764357206 (0.00173846% change) linmin: converged after 3 iterations. iteration 105: trace = 2.451014350329364 (0.00226084% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936365136954 (0.0031818% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891633901529 (0.00182508% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830588419405 (0.00249078% change) linmin: converged after 4 iterations. iteration 109: trace = 2.450789777787804 (0.00166519% change) linmin: converged after 4 iterations. iteration 110: trace = 2.450776845576188 (0.000527677% change) large trace change predicted (0.0011851%) linmin: converged after 3 iterations. iteration 111: trace = 2.450747795704801 (0.00118534% change) linmin: converged after 3 iterations. iteration 112: trace = 2.45070867046777 (0.00159647% change) linmin: converged after 4 iterations. iteration 113: trace = 2.450695835826789 (0.000523713% change) large trace change predicted (0.00227204%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640084149246 (0.00227496% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616935395414 (0.000944605% change) linmin: converged after 9 iterations. iteration 116: trace = 2.45059690168018 (0.0008175% change) linmin: converged after 4 iterations. iteration 117: trace = 2.450567708239303 (0.00119129% change) linmin: converged after 10 iterations. iteration 118: trace = 2.450560050181016 (0.000312502% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544723924295 (0.00062542% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450518156850831 (0.00108414% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508153452435 (0.000408216% change) large trace change predicted (0.00138829%) linmin: converged after 7 iterations. iteration 122: trace = 2.450474160996835 (0.00138717% change) linmin: converged after 5 iterations. iteration 123: trace = 2.450413549363673 (0.0024735% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399865463202 (0.000558434% change) large trace change predicted (0.00263932%) linmin: converged after 5 iterations. iteration 125: trace = 2.450335324898945 (0.00263391% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316241452061 (0.000778813% change) large trace change predicted (0.00253213%) linmin: converged after 4 iterations. iteration 127: trace = 2.45025425553424 (0.00252974% change) linmin: converged after 5 iterations. iteration 128: trace = 2.450208223330985 (0.00187869% change) linmin: converged after 6 iterations. iteration 129: trace = 2.450190012010325 (0.000743259% change) large trace change predicted (0.00218248%) linmin: converged after 6 iterations. iteration 130: trace = 2.450136625348235 (0.0021789% change) linmin: converged after 3 iterations. iteration 131: trace = 2.45007660677115 (0.00244963% change) linmin: converged after 5 iterations. iteration 132: trace = 2.450058966325326 (0.000719998% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024373740196 (0.00141192% change) linmin: converged after 7 iterations. iteration 134: trace = 2.449978667631108 (0.00186555% change) linmin: converged after 5 iterations. iteration 135: trace = 2.449968895169002 (0.00039888% change) large trace change predicted (0.00120772%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939300285809 (0.00120798% change) linmin: converged after 5 iterations. iteration 137: trace = 2.449919722834263 (0.000799103% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912947473968 (0.000276555% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900616488089 (0.000503325% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894928085868 (0.000232189% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892297164892 (0.000107389% change) large trace change predicted (0.000347819%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883775175338 (0.000347852% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876756247481 (0.000286501% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449872120281262 (0.000189233% change) large trace change predicted (0.000699813%) linmin: converged after 3 iterations. iteration 145: trace = 2.449854947385739 (0.000700974% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848346406646 (0.000269444% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839794164459 (0.000349093% change) linmin: converged after 3 iterations. iteration 148: trace = 2.44982675320189 (0.00053232% change) linmin: converged after 3 iterations. iteration 149: trace = 2.44982009809765 (0.000271656% change) linmin: converged after 5 iterations. iteration 150: trace = 2.449813599191857 (0.000265281% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804672061759 (0.000364401% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797710245926 (0.000284179% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789793231324 (0.000323171% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775125541931 (0.000598734% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449771197568826 (0.00016034% change) large trace change predicted (0.00043704%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760491406805 (0.000437028% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754538208532 (0.000243012% change) linmin: converged after 4 iterations. iteration 158: trace = 2.44975190290616 (0.000107574% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747997430265 (0.000159423% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743927761397 (0.000166126% change) linmin: converged after 8 iterations. iteration 161: trace = 2.449742718999893 (4.93424e-05% change) large trace change predicted (0.000191012%) linmin: converged after 3 iterations. iteration 162: trace = 2.449738039373347 (0.000191025% change) linmin: converged after 3 iterations. iteration 163: trace = 2.44973159509182 (0.00026306% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729576492104 (8.24009e-05% change) large trace change predicted (0.000358109%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720797798945 (0.000358354% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449714042868065 (0.000275743% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711750524444 (9.3576e-05% change) large trace change predicted (0.000277937%) linmin: converged after 3 iterations. iteration 168: trace = 2.44970493912474 (0.000278049% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697452299737 (0.000305622% change) linmin: converged after 4 iterations. iteration 170: trace = 2.449695298508223 (8.79208e-05% change) large trace change predicted (0.000350526%) linmin: converged after 5 iterations. iteration 171: trace = 2.44968670212081 (0.000350917% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677776996352 (0.000364338% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674469734727 (0.000135008% change) large trace change predicted (0.000279896%) linmin: converged after 4 iterations. iteration 174: trace = 2.44966760675598 (0.000280159% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449659910863249 (0.000314161% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657742566564 (8.85142e-05% change) large trace change predicted (0.000235374%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651976958328 (0.000235364% change) linmin: converged after 5 iterations. iteration 178: trace = 2.449647863086536 (0.000167937% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645899921092 (8.01408e-05% change) large trace change predicted (0.000191846%) linmin: converged after 3 iterations. iteration 180: trace = 2.449641202496829 (0.00019176% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636735161266 (0.000182367% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634470661315 (9.24423e-05% change) large trace change predicted (0.000270107%) linmin: converged after 5 iterations. iteration 183: trace = 2.449627871274931 (0.000269403% change) linmin: converged after 4 iterations. iteration 184: trace = 2.449623554131188 (0.000176237% change) linmin: converged after 4 iterations. iteration 185: trace = 2.449620056907789 (0.000142766% change) large trace change predicted (0.000335748%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611849363315 (0.000335054% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608040109787 (0.000155504% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605467155713 (0.000105035% change) large trace change predicted (0.000303699%) linmin: converged after 4 iterations. iteration 189: trace = 2.449598032848582 (0.00030349% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593219874764 (0.00019648% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588354301449 (0.000198628% change) large trace change predicted (0.000570807%) linmin: converged after 4 iterations. iteration 192: trace = 2.449574368305194 (0.000570955% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571037661758 (0.000135968% change) large trace change predicted (0.000443751%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560154441408 (0.000444292% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553072147829 (0.000289126% change) linmin: converged after 4 iterations. iteration 196: trace = 2.449550235492469 (0.000115803% change) linmin: converged after 5 iterations. iteration 197: trace = 2.4495459453966 (0.000175138% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540040244491 (0.000241072% change) linmin: converged after 4 iterations. iteration 199: trace = 2.449538438544594 (6.53878e-05% change) large trace change predicted (0.000254687%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532193103362 (0.000254964% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527758252526 (0.000181049% change) linmin: converged after 4 iterations. iteration 202: trace = 2.449524350155484 (0.000139133% change) large trace change predicted (0.000355804%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515628717529 (0.000356047% change) linmin: converged after 3 iterations. iteration 204: trace = 2.44950434102122 (0.000460814% change) linmin: converged after 5 iterations. iteration 205: trace = 2.449499987722562 (0.000177722% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492604326722 (0.000301425% change) linmin: converged after 4 iterations. iteration 207: trace = 2.44948359743051 (0.000367705% change) linmin: converged after 4 iterations. iteration 208: trace = 2.449477982953384 (0.000229211% change) large trace change predicted (0.000702352%) linmin: converged after 12 iterations. iteration 209: trace = 2.449460783306508 (0.000702178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449456833401014 (0.000161256% change) linmin: converged after 3 iterations. iteration 211: trace = 2.44945356137018 (0.000133582% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449447706901437 (0.000239012% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449445022868559 (0.000109577% change) linmin: converged after 4 iterations. iteration 214: trace = 2.449441809454352 (0.00013119% change) linmin: converged after 3 iterations. iteration 215: trace = 2.449436494333873 (0.000216993% change) linmin: converged after 4 iterations. iteration 216: trace = 2.449435634144355 (3.51179e-05% change) large trace change predicted (0.000115454%) linmin: converged after 7 iterations. iteration 217: trace = 2.449432806490806 (0.000115441% change) linmin: converged after 5 iterations. iteration 218: trace = 2.449430943565843 (7.60554e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430283245927 (2.69581e-05% change) large trace change predicted (7.00848e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.4494285668072 (7.0075e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426521749749 (8.34912e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.449425564425491 (3.90836e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.449424332606356 (5.02901e-05% change) large trace change predicted (0.000110628%) linmin: converged after 4 iterations. iteration 224: trace = 2.449421624089753 (0.000110578% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449420972287295 (2.66105e-05% change) large trace change predicted (0.000117549%) linmin: converged after 3 iterations. iteration 226: trace = 2.44941809362175 (0.000117524% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449415830015894 (9.24141e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449414718488296 (4.53793e-05% change) large trace change predicted (0.000115058%) linmin: converged after 4 iterations. iteration 229: trace = 2.44941189853066 (0.000115128% change) linmin: converged after 3 iterations. iteration 230: trace = 2.44940933423477 (0.00010469% change) linmin: converged after 3 iterations. iteration 231: trace = 2.449408340684099 (4.05629e-05% change) large trace change predicted (8.16384e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.449406340469369 (8.16612e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405028464091 (5.35642e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404092537489 (3.82104e-05% change) large trace change predicted (8.28283e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.44940206187908 (8.29042e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449399970633329 (8.53778e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.449399438628353 (2.17198e-05% change) large trace change predicted (4.51547e-05%) linmin: converged after 5 iterations. iteration 238: trace = 2.449398332309524 (4.5167e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397249574377 (4.42041e-05% change) linmin: converged after 17 iterations. iteration 240: trace = 2.449396918889177 (1.35007e-05% change) large trace change predicted (4.03617e-05%) linmin: converged after 4 iterations. iteration 241: trace = 2.449395930071235 (4.03699e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.449395427205492 (2.05302e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.449394631572639 (3.24828e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.449393535117366 (4.47643e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449392892400704 (2.62398e-05% change) large trace change predicted (5.28152e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391598931955 (5.28077e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.449389530665272 (8.44401e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.449389083026784 (1.82755e-05% change) large trace change predicted (4.96657e-05%) linmin: converged after 3 iterations. iteration 249: trace = 2.449387866663815 (4.96599e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 2.449386564837664 (5.31491e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.449385904981976 (2.69396e-05% change) large trace change predicted (6.63516e-05%) linmin: converged after 4 iterations. iteration 252: trace = 2.449384280072972 (6.63395e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449382919473211 (5.55487e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.44938248846367 (1.75967e-05% change) large trace change predicted (3.57597e-05%) linmin: converged after 3 iterations. iteration 255: trace = 2.449381612567119 (3.57599e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380478365786 (4.63056e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.44938005351113 (1.73454e-05% change) large trace change predicted (4.27343e-05%) linmin: converged after 8 iterations. iteration 258: trace = 2.449379006781027 (4.27345e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378058758882 (3.87046e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.44937765001109 (1.66878e-05% change) linmin: converged after 7 iterations. iteration 261: trace = 2.449376845670606 (3.28386e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.449375720676586 (4.59298e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.449375362732151 (1.46137e-05% change) large trace change predicted (6.46068e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373780814214 (6.45846e-05% change) linmin: converged after 6 iterations. iteration 265: trace = 2.449372755734355 (4.18507e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371792432491 (3.93285e-05% change) large trace change predicted (8.58709e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.449369690449359 (8.58173e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449368874852692 (3.32982e-05% change) linmin: converged after 9 iterations. iteration 269: trace = 2.449367793256231 (4.41582e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366630582098 (4.74683e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366243658539 (1.57969e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.44936563589116 (2.48133e-05% change) large trace change predicted (5.39394e-05%) linmin: converged after 4 iterations. iteration 273: trace = 2.449364314802962 (5.39359e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.449363950319062 (1.48808e-05% change) large trace change predicted (4.77899e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.44936277967462 (4.77938e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.449361829792793 (3.87808e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.449361467655149 (1.4785e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.449360860224534 (2.47996e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.449360329464341 (2.16693e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.449360193325828 (5.55813e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.44935994618302 (1.00901e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.449359517939592 (1.74839e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.449359305809744 (8.66063e-06% change) large trace change predicted (2.59609e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.449358669905291 (2.59621e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.449357632577434 (4.2351e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.449357341680221 (1.18765e-05% change) large trace change predicted (3.95153e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.449356373621772 (3.9523e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449355959338408 (1.6914e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.44935569552776 (1.07706e-05% change) large trace change predicted (3.00168e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449354960250441 (3.00192e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.449354411930939 (2.23863e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353722148272 (2.81618e-05% change) linmin: converged after 4 iterations. iteration 293: trace = 2.449352721232571 (4.08645e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.449351915117644 (3.29114e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351557043779 (1.46191e-05% change) large trace change predicted (3.86143e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350611060736 (3.86218e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.449350207537366 (1.64747e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.449349864380816 (1.40101e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349481121152 (1.56474e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.449349187572277 (1.19848e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348824996862 (1.48029e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.449348207170472 (2.52241e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347842976861 (1.4869e-05% change) linmin: converged after 10 iterations. iteration 304: trace = 2.449347307150961 (2.18763e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.449346702238563 (2.46969e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.449346058070105 (2.62996e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.449345847039887 (8.61578e-06% change) large trace change predicted (3.02896e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.449345104999269 (3.02955e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.449344654488271 (1.83931e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.449344396125454 (1.05482e-05% change) large trace change predicted (2.61846e-05%) linmin: converged after 4 iterations. iteration 311: trace = 2.449343754628772 (2.61905e-05% change) linmin: converged after 5 iterations. iteration 312: trace = 2.449343060104885 (2.83555e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342746894462 (1.27875e-05% change) large trace change predicted (3.15839e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449341973236189 (3.15864e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.449341668470169 (1.24428e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341323890793 (1.40682e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.449340724041253 (2.44902e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340627848021 (3.92731e-06% change) large trace change predicted (1.54826e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.449340248658823 (1.54813e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339906894235 (1.39533e-05% change) linmin: converged after 12 iterations. iteration 321: trace = 2.44933971144219 (7.97978e-06% change) large trace change predicted (1.99027e-05%) linmin: converged after 5 iterations. iteration 322: trace = 2.449339224131502 (1.98956e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.449338376540003 (3.46049e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.449338127844788 (1.01536e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.44933764652807 (1.96509e-05% change) linmin: converged after 5 iterations. iteration 326: trace = 2.449336972861738 (2.7504e-05% change) linmin: converged after 3 iterations. iteration 327: trace = 2.449336737184612 (9.62208e-06% change) large trace change predicted (2.5633e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.449336109518837 (2.5626e-05% change) linmin: converged after 6 iterations. iteration 329: trace = 2.449334963984735 (4.67692e-05% change) linmin: converged after 5 iterations. iteration 330: trace = 2.44933466764013 (1.2099e-05% change) large trace change predicted (4.6207e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.44933353585055 (4.62081e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332528715524 (4.11187e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.44933215481141 (1.52656e-05% change) large trace change predicted (3.17647e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.44933137674793 (3.17664e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.449330585861198 (3.22899e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330374173485 (8.64268e-06% change) linmin: converged after 5 iterations. iteration 337: trace = 2.449330012869878 (1.47511e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.449329486830409 (2.14769e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.449329323158688 (6.68231e-06% change) large trace change predicted (1.97878e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328838430115 (1.97903e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328336325411 (2.04997e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328094843118 (9.85912e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932761440938 (1.96149e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.449326676215543 (3.83041e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.44932626318696 (1.68629e-05% change) large trace change predicted (3.78492e-05%) linmin: converged after 5 iterations. iteration 346: trace = 2.44932533598196 (3.78555e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324546731702 (3.22232e-05% change) linmin: converged after 4 iterations. iteration 348: trace = 2.449324227406307 (1.30373e-05% change) large trace change predicted (6.02654e-05%) linmin: converged after 5 iterations. iteration 349: trace = 2.449322750975162 (6.02791e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.449321892900501 (3.50331e-05% change) linmin: converged after 7 iterations. iteration 351: trace = 2.449321683898963 (8.53304e-06% change) large trace change predicted (2.65235e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.44932103422288 (2.65247e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.449320437074354 (2.43802e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320221649538 (8.79529e-06% change) large trace change predicted (3.12902e-05%) linmin: converged after 6 iterations. iteration 355: trace = 2.449319455292288 (3.12886e-05% change) linmin: converged after 2 iterations. iteration 356: trace = 2.4493191233144 (1.35539e-05% change) linmin: converged after 2 iterations. iteration 357: trace = 2.449318967676911 (6.35432e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318672615042 (1.20467e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.449318385140851 (1.17369e-05% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318301710792 (3.40626e-06% change) large trace change predicted (1.14743e-05%) linmin: converged after 3 iterations. iteration 361: trace = 2.449318020705964 (1.14728e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.449317813628271 (8.4545e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.449317706580891 (4.3705e-06% change) large trace change predicted (1.71581e-05%) linmin: converged after 4 iterations. iteration 364: trace = 2.449317286438743 (1.71534e-05% change) linmin: converged after 5 iterations. iteration 365: trace = 2.449317121722504 (6.72499e-06% change) large trace change predicted (1.88753e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.44931665952607 (1.88704e-05% change) linmin: converged after 5 iterations. iteration 367: trace = 2.449316284035032 (1.53304e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.44931598779728 (1.20947e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315617308174 (1.51262e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.449315100622467 (2.10951e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314966477075 (5.47685e-06% change) large trace change predicted (1.54796e-05%) linmin: converged after 4 iterations. iteration 372: trace = 2.449314587271526 (1.54821e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.449314209642466 (1.54177e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449314060042585 (6.10783e-06% change) linmin: converged after 5 iterations. iteration 375: trace = 2.44931376699174 (1.19646e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.449313392413096 (1.52932e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313196464976 (8.00012e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931311062353 (3.50472e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.449312940551659 (6.94366e-06% change) linmin: converged after 3 iterations. iteration 380: trace = 2.449312827552721 (4.6135e-06% change) linmin: converged after 6 iterations. iteration 381: trace = 2.449312747911022 (3.25159e-06% change) large trace change predicted (7.49008e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.44931256444564 (7.49048e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.44931247121995 (3.8062e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.44931233049468 (5.7455e-06% change) large trace change predicted (1.2039e-05%) linmin: converged after 4 iterations. iteration 385: trace = 2.449312035633255 (1.20385e-05% change) linmin: converged after 4 iterations. iteration 386: trace = 2.449311885456354 (6.13139e-06% change) large trace change predicted (1.24054e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.449311581661915 (1.24033e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311389087495 (7.86239e-06% change) linmin: converged after 2 iterations. iteration 389: trace = 2.449311268698603 (4.91521e-06% change) linmin: converged after 6 iterations. iteration 390: trace = 2.449311073926549 (7.95212e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.44931073475165 (1.38478e-05% change) linmin: converged after 6 iterations. iteration 392: trace = 2.449310656267942 (3.20432e-06% change) large trace change predicted (9.56188e-06%) linmin: converged after 3 iterations. iteration 393: trace = 2.44931042209365 (9.56082e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310228419627 (7.90729e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.449310150478858 (3.18215e-06% change) large trace change predicted (8.64275e-06%) linmin: converged after 11 iterations. iteration 396: trace = 2.449309938782913 (8.64308e-06% change) linmin: converged after 4 iterations. iteration 397: trace = 2.44930975921922 (7.3312e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.449309705724143 (2.18409e-06% change) large trace change predicted (8.31773e-06%) linmin: converged after 4 iterations. iteration 399: trace = 2.449309502012794 (8.31709e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309392642907 (4.46534e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.44930934131938 (2.09543e-06% change) large trace change predicted (8.87334e-06%) linmin: converged after 3 iterations. iteration 402: trace = 2.449309123997631 (8.87278e-06% change) linmin: converged after 8 iterations. iteration 403: trace = 2.449308922222955 (8.23802e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.449308823311691 (4.03833e-06% change) large trace change predicted (8.17136e-06%) linmin: converged after 8 iterations. iteration 405: trace = 2.449308623174232 (8.17118e-06% change) linmin: converged after 5 iterations. iteration 406: trace = 2.449308380629756 (9.90257e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.44930832157959 (2.41089e-06% change) large trace change predicted (9.74911e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449308082812707 (9.74834e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449307928331722 (6.30713e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449307863381324 (2.65179e-06% change) linmin: converged after 11 iterations. iteration 411: trace = 2.449307750719834 (4.59973e-06% change) linmin: converged after 9 iterations. iteration 412: trace = 2.44930759617264 (6.30983e-06% change) linmin: converged after 8 iterations. iteration 413: trace = 2.449307507967606 (3.60122e-06% change) large trace change predicted (7.30561e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.449307329057715 (7.30451e-06% change) linmin: converged after 18 iterations. iteration 415: trace = 2.449307207178362 (4.97607e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307129373056 (3.17663e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.449307006639951 (5.01093e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.449306966864445 (1.62395e-06% change) linmin: converged after 6 iterations. iteration 419: trace = 2.449306914000276 (2.15833e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.449306875380481 (1.57676e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.449306850612654 (1.01122e-06% change) large trace change predicted (3.39569e-06%) linmin: converged after 5 iterations. iteration 422: trace = 2.449306767437286 (3.39587e-06% change) linmin: converged after 5 iterations. iteration 423: trace = 2.449306675578913 (3.75038e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.449306620981348 (2.2291e-06% change) large trace change predicted (8.29323e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.449306417828372 (8.29431e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306328329006 (3.65407e-06% change) linmin: converged after 3 iterations. iteration 427: trace = 2.449306220976023 (4.383e-06% change) linmin: converged after 4 iterations. iteration 428: trace = 2.449306118848337 (4.16966e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.449306055279931 (2.59536e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.449305938052055 (4.78617e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305785141147 (6.24303e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305689851015 (3.8905e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.44930558817213 (4.15134e-06% change) large trace change predicted (8.77595e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.449305373204743 (8.77667e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305304858868 (2.79042e-06% change) large trace change predicted (6.12304e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305154891053 (6.12287e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449305036000753 (4.85404e-06% change) linmin: converged after 2 iterations. iteration 438: trace = 2.44930496041736 (3.08591e-06% change) linmin: converged after 10 iterations. iteration 439: trace = 2.449304917601723 (1.74807e-06% change) large trace change predicted (5.15328e-06%) linmin: converged after 4 iterations. iteration 440: trace = 2.449304791369659 (5.15379e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.449304741458016 (2.03779e-06% change) linmin: converged after 7 iterations. iteration 442: trace = 2.449304654473372 (3.5514e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304509184595 (5.93184e-06% change) linmin: converged after 5 iterations. iteration 444: trace = 2.449304456294106 (2.15941e-06% change) large trace change predicted (4.95564e-06%) linmin: converged after 4 iterations. iteration 445: trace = 2.449304334903203 (4.95614e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304173873083 (6.57452e-06% change) linmin: converged after 11 iterations. iteration 447: trace = 2.449304134298035 (1.61577e-06% change) large trace change predicted (5.56691e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.449303997940504 (5.56719e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303877039199 (4.93615e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303809660057 (2.75095e-06% change) linmin: converged after 15 iterations. iteration 451: trace = 2.449303703251061 (4.34446e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.449303521720978 (7.4115e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.449303479410832 (1.72744e-06% change) large trace change predicted (6.30616e-06%) linmin: converged after 4 iterations. iteration 454: trace = 2.44930332494781 (6.30641e-06% change) linmin: converged after 2 iterations. iteration 455: trace = 2.449303196299648 (5.25244e-06% change) linmin: converged after 5 iterations. iteration 456: trace = 2.44930315680863 (1.61234e-06% change) large trace change predicted (4.36591e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.449303049879013 (4.36572e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302998882024 (2.0821e-06% change) linmin: converged after 5 iterations. iteration 459: trace = 2.449302971831586 (1.10441e-06% change) large trace change predicted (2.85974e-06%) linmin: converged after 7 iterations. iteration 460: trace = 2.449302901795706 (2.85942e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302804517566 (3.97167e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.449302758683433 (1.87131e-06% change) large trace change predicted (7.37638e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.449302578077613 (7.37376e-06% change) linmin: converged after 6 iterations. iteration 464: trace = 2.449302439055304 (5.676e-06% change) linmin: converged after 4 iterations. iteration 465: trace = 2.449302385527099 (2.18545e-06% change) large trace change predicted (6.13002e-06%) linmin: converged after 10 iterations. iteration 466: trace = 2.449302235400487 (6.12936e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449302087328288 (6.04549e-06% change) linmin: converged after 11 iterations. iteration 468: trace = 2.449302021521985 (2.68674e-06% change) large trace change predicted (8.49346e-06%) linmin: converged after 3 iterations. iteration 469: trace = 2.44930181348616 (8.49368e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.449301644772229 (6.88825e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301544563133 (4.09133e-06% change) linmin: converged after 3 iterations. iteration 472: trace = 2.449301367402688 (7.2331e-06% change) linmin: converged after 8 iterations. iteration 473: trace = 2.449301158918312 (8.51199e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.449301103788178 (2.25085e-06% change) large trace change predicted (4.70311e-06%) linmin: converged after 4 iterations. iteration 475: trace = 2.449300988580139 (4.70371e-06% change) linmin: converged after 6 iterations. iteration 476: trace = 2.449300896772737 (3.74831e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.449300866357832 (1.24178e-06% change) large trace change predicted (3.92601e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.44930077018778 (3.92643e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.449300683770554 (3.52824e-06% change) linmin: converged after 4 iterations. iteration 480: trace = 2.449300656479704 (1.11423e-06% change) large trace change predicted (3.23321e-06%) linmin: converged after 2 iterations. iteration 481: trace = 2.449300577278313 (3.23363e-06% change) linmin: converged after 6 iterations. iteration 482: trace = 2.449300466061751 (4.54075e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.449300428023244 (1.55304e-06% change) large trace change predicted (7.25073e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.449300250425539 (7.25096e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.449300131892638 (4.83946e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.449300072898354 (2.40862e-06% change) large trace change predicted (8.52883e-06%) linmin: converged after 6 iterations. iteration 487: trace = 2.449299863989046 (8.52935e-06% change) linmin: converged after 3 iterations. iteration 488: trace = 2.449299665082108 (8.12097e-06% change) large trace change predicted (1.9404e-05%) linmin: converged after 3 iterations. iteration 489: trace = 2.44929918983289 (1.94035e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449298962043534 (9.30019e-06% change) linmin: converged after 9 iterations. iteration 491: trace = 2.449298755844723 (8.41869e-06% change) linmin: converged after 5 iterations. iteration 492: trace = 2.449298620798816 (5.51366e-06% change) linmin: converged after 4 iterations. iteration 493: trace = 2.449298572090829 (1.98865e-06% change) large trace change predicted (6.48881e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.449298413153169 (6.48911e-06% change) linmin: converged after 4 iterations. iteration 495: trace = 2.449298359767387 (2.17964e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.449298280489823 (3.23675e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.449298194838207 (3.49699e-06% change) linmin: converged after 12 iterations. iteration 498: trace = 2.449298140239789 (2.22915e-06% change) linmin: converged after 2 iterations. iteration 499: trace = 2.449298097612467 (1.74039e-06% change) linmin: converged after 8 iterations. iteration 500: trace = 2.449298035490159 (2.53633e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.449297992034129 (1.77422e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449297971223781 (8.49645e-07% change) large trace change predicted (1.87991e-06%) linmin: converged after 5 iterations. iteration 503: trace = 2.449297925181443 (1.87982e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.449297878139211 (1.92064e-06% change) linmin: converged after 5 iterations. iteration 505: trace = 2.449297845111048 (1.34847e-06% change) large trace change predicted (4.69833e-06%) linmin: converged after 6 iterations. iteration 506: trace = 2.449297730059884 (4.69731e-06% change) linmin: converged after 4 iterations. iteration 507: trace = 2.449297699988394 (1.22776e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.449297642199617 (2.3594e-06% change) large trace change predicted (4.81107e-06%) linmin: converged after 3 iterations. iteration 509: trace = 2.44929752438478 (4.81015e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.44929747911903 (1.84811e-06% change) large trace change predicted (3.70331e-06%) linmin: converged after 3 iterations. iteration 511: trace = 2.449297388423847 (3.70291e-06% change) linmin: converged after 3 iterations. iteration 512: trace = 2.449297301422007 (3.55211e-06% change) linmin: converged after 15 iterations. iteration 513: trace = 2.44929726710429 (1.40112e-06% change) linmin: converged after 4 iterations. iteration 514: trace = 2.449297202493594 (2.63793e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297118123978 (3.44465e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297098977328 (7.8172e-07% change) large trace change predicted (2.38664e-06%) linmin: converged after 9 iterations. iteration 517: trace = 2.449297040514986 (2.3869e-06% change) linmin: converged after 4 iterations. iteration 518: trace = 2.449296982513297 (2.3681e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449296940061365 (1.73323e-06% change) linmin: converged after 12 iterations. iteration 520: trace = 2.449296930723386 (3.81251e-07% change) large trace change predicted (1.41312e-06%) linmin: converged after 8 iterations. iteration 521: trace = 2.449296896110427 (1.41318e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.449296876492185 (8.00974e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.449296860085393 (6.69857e-07% change) large trace change predicted (1.71313e-06%) linmin: converged after 4 iterations. iteration 524: trace = 2.449296818124541 (1.71318e-06% change) linmin: converged after 7 iterations. iteration 525: trace = 2.449296788553737 (1.20732e-06% change) linmin: converged after 10 iterations. iteration 526: trace = 2.449296751865314 (1.49792e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.449296681629323 (2.8676e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.449296661715937 (8.13025e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.44929662364585 (1.55433e-06% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296567946919 (2.27408e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.449296554510048 (5.48601e-07% change) large trace change predicted (2.41023e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.449296495480694 (2.41005e-06% change) linmin: converged after 4 iterations. iteration 533: trace = 2.449296442332612 (2.16993e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.449296422451371 (8.11712e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296389842277 (1.33137e-06% change) linmin: converged after 5 iterations. iteration 536: trace = 2.449296332679542 (2.33384e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296319700671 (5.29902e-07% change) large trace change predicted (1.61254e-06%) linmin: converged after 4 iterations. iteration 538: trace = 2.449296280205539 (1.61251e-06% change) linmin: converged after 10 iterations. iteration 539: trace = 2.449296248674388 (1.28736e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.4492962396169 (3.698e-07% change) large trace change predicted (1.30988e-06%) linmin: converged after 5 iterations. iteration 541: trace = 2.449296207534937 (1.30984e-06% change) linmin: converged after 11 iterations. iteration 542: trace = 2.449296174568539 (1.34595e-06% change) linmin: converged after 5 iterations. iteration 543: trace = 2.449296165985985 (3.50409e-07% change) large trace change predicted (1.77249e-06%) linmin: converged after 4 iterations. iteration 544: trace = 2.449296122573905 (1.77243e-06% change) linmin: converged after 4 iterations. iteration 545: trace = 2.449296091985974 (1.24885e-06% change) linmin: converged after 10 iterations. iteration 546: trace = 2.449296075552141 (6.70961e-07% change) large trace change predicted (1.84229e-06%) linmin: converged after 7 iterations. iteration 547: trace = 2.449296030429687 (1.84226e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.449295973818217 (2.31134e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.449295963073737 (4.38676e-07% change) large trace change predicted (1.57194e-06%) linmin: converged after 8 iterations. iteration 550: trace = 2.449295924573315 (1.5719e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.449295901411956 (9.45633e-07% change) linmin: converged after 7 iterations. iteration 552: trace = 2.449295887073358 (5.85417e-07% change) large trace change predicted (1.17467e-06%) linmin: converged after 4 iterations. iteration 553: trace = 2.449295858302852 (1.17464e-06% change) linmin: converged after 5 iterations. iteration 554: trace = 2.449295825594148 (1.33543e-06% change) linmin: converged after 6 iterations. iteration 555: trace = 2.449295811533763 (5.74058e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449295783511515 (1.14409e-06% change) linmin: converged after 8 iterations. iteration 557: trace = 2.449295754158801 (1.19841e-06% change) linmin: converged after 16 iterations. iteration 558: trace = 2.449295746000531 (3.33086e-07% change) large trace change predicted (6.75053e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.449295729466491 (6.75053e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.449295723699159 (2.35469e-07% change) linmin: converged after 8 iterations. iteration 561: trace = 2.449295719145353 (1.85923e-07% change) large trace change predicted (7.18669e-07%) linmin: converged after 10 iterations. iteration 562: trace = 2.449295701542916 (7.18673e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.449295677695274 (9.73653e-07% change) linmin: converged after 5 iterations. iteration 564: trace = 2.449295666842978 (4.43078e-07% change) large trace change predicted (1.70343e-06%) linmin: converged after 18 iterations. iteration 565: trace = 2.4492956251186 (1.70353e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295608568285 (6.75717e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.449295588398641 (8.23488e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.449295567387004 (8.57865e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.449295556837434 (4.30719e-07% change) large trace change predicted (9.50373e-07%) linmin: converged after 6 iterations. iteration 570: trace = 2.449295533559557 (9.50391e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295498742708 (1.4215e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.449295471337947 (1.11888e-06% change) linmin: converged after 14 iterations. iteration 573: trace = 2.449295454315248 (6.95004e-07% change) large trace change predicted (1.66534e-06%) linmin: converged after 4 iterations. iteration 574: trace = 2.449295413523881 (1.66543e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.449295394090539 (7.93426e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.449295370806793 (9.5063e-07% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295350994837 (8.08884e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.449295333125299 (7.29579e-07% change) linmin: converged after 13 iterations. iteration 579: trace = 2.449295322520059 (4.32991e-07% change) large trace change predicted (1.06468e-06%) linmin: converged after 2 iterations. iteration 580: trace = 2.449295296442627 (1.06469e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.449295283122905 (5.43819e-07% change) linmin: converged after 2 iterations. iteration 582: trace = 2.449295263991757 (7.81088e-07% change) linmin: converged after 10 iterations. iteration 583: trace = 2.449295240008144 (9.79205e-07% change) linmin: converged after 16 iterations. iteration 584: trace = 2.449295227655927 (5.04317e-07% change) large trace change predicted (1.4574e-06%) linmin: converged after 4 iterations. iteration 585: trace = 2.449295191960348 (1.45738e-06% change) linmin: converged after 3 iterations. iteration 586: trace = 2.449295158881031 (1.35056e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295148138336 (4.38604e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.44929512938227 (7.65774e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.449295100364133 (1.18475e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295077814086 (9.20675e-07% change) linmin: converged after 5 iterations. iteration 591: trace = 2.449295063016357 (6.04163e-07% change) large trace change predicted (1.70647e-06%) linmin: converged after 4 iterations. iteration 592: trace = 2.449295021218325 (1.70653e-06% change) linmin: converged after 5 iterations. iteration 593: trace = 2.449294996460564 (1.01081e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.44929498378478 (5.17528e-07% change) large trace change predicted (1.04482e-06%) linmin: converged after 4 iterations. iteration 595: trace = 2.449294958194812 (1.04479e-06% change) linmin: converged after 7 iterations. iteration 596: trace = 2.449294942464789 (6.42227e-07% change) linmin: converged after 7 iterations. iteration 597: trace = 2.449294932495997 (4.07007e-07% change) linmin: converged after 5 iterations. iteration 598: trace = 2.449294920019993 (5.09371e-07% change) linmin: converged after 10 iterations. iteration 599: trace = 2.449294908978184 (4.50816e-07% change) linmin: converged after 6 iterations. iteration 600: trace = 2.44929489979332 (3.75e-07% change) large trace change predicted (1.29985e-06%) linmin: converged after 12 iterations. iteration 601: trace = 2.449294867959889 (1.2997e-06% change) linmin: converged after 4 iterations. iteration 602: trace = 2.449294840706553 (1.1127e-06% change) linmin: converged after 4 iterations. iteration 603: trace = 2.449294823564626 (6.99872e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449294793758948 (1.21691e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.449294764735275 (1.18498e-06% change) linmin: converged after 4 iterations. iteration 606: trace = 2.449294752754349 (4.89158e-07% change) large trace change predicted (1.57869e-06%) linmin: converged after 20 iterations. iteration 607: trace = 2.449294714089068 (1.57863e-06% change) linmin: converged after 5 iterations. iteration 608: trace = 2.449294678734368 (1.44346e-06% change) linmin: converged after 5 iterations. iteration 609: trace = 2.449294660647144 (7.38467e-07% change) large trace change predicted (1.52257e-06%) linmin: converged after 4 iterations. iteration 610: trace = 2.449294623353037 (1.52265e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.449294595482258 (1.13791e-06% change) linmin: converged after 7 iterations. iteration 612: trace = 2.449294572783566 (9.26744e-07% change) linmin: converged after 6 iterations. iteration 613: trace = 2.449294538089499 (1.41649e-06% change) linmin: converged after 19 iterations. iteration 614: trace = 2.449294527705394 (4.23963e-07% change) large trace change predicted (9.49395e-07%) linmin: converged after 2 iterations. iteration 615: trace = 2.449294504451907 (9.49395e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294485497237 (7.73883e-07% change) linmin: converged after 7 iterations. iteration 617: trace = 2.449294476527676 (3.6621e-07% change) linmin: converged after 5 iterations. iteration 618: trace = 2.44929446043988 (6.56834e-07% change) linmin: converged after 6 iterations. iteration 619: trace = 2.449294436000751 (9.97803e-07% change) linmin: converged after 19 iterations. iteration 620: trace = 2.449294427867938 (3.32047e-07% change) linmin: converged after 4 iterations. iteration 621: trace = 2.449294414804712 (5.33346e-07% change) large trace change predicted (1.14812e-06%) linmin: converged after 10 iterations. iteration 622: trace = 2.449294386682773 (1.14816e-06% change) linmin: converged after 3 iterations. iteration 623: trace = 2.449294368487843 (7.42864e-07% change) linmin: converged after 7 iterations. iteration 624: trace = 2.449294347157103 (8.70893e-07% change) linmin: converged after 4 iterations. iteration 625: trace = 2.449294316655181 (1.24534e-06% change) linmin: converged after 5 iterations. iteration 626: trace = 2.449294298191574 (7.53834e-07% change) linmin: converged after 5 iterations. iteration 627: trace = 2.449294268452204 (1.2142e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.449294212478974 (2.28528e-06% change) linmin: converged after 4 iterations. iteration 629: trace = 2.449294147611416 (2.64842e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.449294105642093 (1.71353e-06% change) linmin: converged after 2 iterations. iteration 631: trace = 2.449294056000651 (2.02677e-06% change) linmin: converged after 21 iterations. iteration 632: trace = 2.449294036115356 (8.11879e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.449294020774135 (6.26353e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 5 iterations. iteration 634: trace = 2.449293989823266 (1.26366e-06% change) linmin: converged after 5 iterations. iteration 635: trace = 2.449293976441921 (5.46335e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449293959433588 (6.94418e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.449293942145088 (7.05856e-07% change) linmin: converged after 9 iterations. iteration 638: trace = 2.449293935059972 (2.89272e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449293922056752 (5.30897e-07% change) linmin: converged after 5 iterations. iteration 640: trace = 2.449293909693623 (5.04763e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.449293905490843 (1.71592e-07% change) large trace change predicted (4.64502e-07%) linmin: converged after 10 iterations. iteration 642: trace = 2.44929389411432 (4.64482e-07% change) linmin: converged after 4 iterations. iteration 643: trace = 2.449293885505506 (3.51481e-07% change) linmin: converged after 4 iterations. iteration 644: trace = 2.449293872214862 (5.42632e-07% change) linmin: converged after 5 iterations. iteration 645: trace = 2.449293867163527 (2.06236e-07% change) large trace change predicted (1.04214e-06%) linmin: converged after 5 iterations. iteration 646: trace = 2.449293841640749 (1.04205e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449293834134831 (3.06452e-07% change) large trace change predicted (6.66378e-07%) linmin: converged after 7 iterations. iteration 648: trace = 2.449293817813669 (6.66362e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.449293797219437 (8.40823e-07% change) linmin: converged after 16 iterations. iteration 650: trace = 2.449293788665385 (3.49246e-07% change) large trace change predicted (7.82241e-07%) linmin: converged after 3 iterations. iteration 651: trace = 2.449293769506357 (7.82227e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.449293751428543 (7.38083e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.449293741139413 (4.20086e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.449293730736813 (4.24718e-07% change) linmin: converged after 11 iterations. iteration 655: trace = 2.449293711268567 (7.94851e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.449293707029274 (1.73082e-07% change) large trace change predicted (5.57407e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.449293693375604 (5.57453e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.449293681237842 (4.95562e-07% change) linmin: converged after 9 iterations. iteration 659: trace = 2.449293673098385 (3.32319e-07% change) linmin: converged after 14 iterations. iteration 660: trace = 2.449293670953859 (8.75569e-08% change) large trace change predicted (2.81185e-07%) linmin: converged after 16 iterations. iteration 661: trace = 2.449293664066693 (2.8119e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.449293657307526 (2.75964e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293655285726 (8.25463e-08% change) large trace change predicted (3.99534e-07%) linmin: converged after 3 iterations. iteration 664: trace = 2.449293645499768 (3.99542e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293635575063 (4.05207e-07% change) linmin: converged after 18 iterations. iteration 666: trace = 2.44929363169782 (1.583e-07% change) large trace change predicted (6.12079e-07%) linmin: converged after 15 iterations. iteration 667: trace = 2.449293616706415 (6.12071e-07% change) linmin: converged after 7 iterations. iteration 668: trace = 2.449293607473717 (3.76953e-07% change) linmin: converged after 5 iterations. iteration 669: trace = 2.449293601686425 (2.36284e-07% change) linmin: converged after 3 iterations. iteration 670: trace = 2.449293592741131 (3.65219e-07% change) linmin: converged after 10 iterations. iteration 671: trace = 2.449293586156217 (2.6885e-07% change) linmin: converged after 6 iterations. iteration 672: trace = 2.449293577520223 (3.52591e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.449293563832737 (5.58834e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.449293555680868 (3.32825e-07% change) linmin: converged after 5 iterations. iteration 675: trace = 2.44929355059821 (2.07515e-07% change) linmin: converged after 15 iterations. iteration 676: trace = 2.449293540668462 (4.05413e-07% change) linmin: converged after 7 iterations. iteration 677: trace = 2.449293532501581 (3.33438e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.449293529614579 (1.17871e-07% change) large trace change predicted (2.77486e-07%) linmin: converged after 13 iterations. iteration 679: trace = 2.449293522818142 (2.77486e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.44929351758496 (2.13661e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293514767307 (1.15039e-07% change) large trace change predicted (2.89179e-07%) linmin: converged after 3 iterations. iteration 682: trace = 2.449293507684474 (2.89179e-07% change) linmin: converged after 19 iterations. iteration 683: trace = 2.449293499046686 (3.52664e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293496326315 (1.11068e-07% change) large trace change predicted (3.85903e-07%) linmin: converged after 14 iterations. iteration 685: trace = 2.449293486874536 (3.85898e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.449293479702585 (2.92817e-07% change) linmin: converged after 6 iterations. iteration 687: trace = 2.449293476612279 (1.26171e-07% change) large trace change predicted (4.75683e-07%) linmin: converged after 9 iterations. iteration 688: trace = 2.44929346496158 (4.75676e-07% change) linmin: converged after 19 iterations. iteration 689: trace = 2.449293455826329 (3.72975e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293453603701 (9.07457e-08% change) large trace change predicted (2.01899e-07%) linmin: converged after 3 iterations. iteration 691: trace = 2.44929344865865 (2.01897e-07% change) linmin: converged after 5 iterations. iteration 692: trace = 2.449293441017769 (3.11963e-07% change) linmin: converged after 14 iterations. iteration 693: trace = 2.449293439312106 (6.9639e-08% change) large trace change predicted (3.88014e-07%) linmin: converged after 13 iterations. iteration 694: trace = 2.449293429808462 (3.88016e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.449293423730869 (2.48137e-07% change) linmin: converged after 7 iterations. iteration 696: trace = 2.449293420629979 (1.26603e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.449293415912063 (1.92624e-07% change) linmin: converged after 4 iterations. iteration 698: trace = 2.449293412433326 (1.4203e-07% change) linmin: converged after 6 iterations. iteration 699: trace = 2.449293411750081 (2.78956e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 700: trace = 2.449293411140338 (2.48946e-08% change) large trace change predicted (8.87114e-08%) linmin: converged after 5 iterations. iteration 701: trace = 2.449293408967532 (8.87115e-08% change) linmin: converged after 7 iterations. iteration 702: trace = 2.449293405174838 (1.54849e-07% change) linmin: converged after 8 iterations. iteration 703: trace = 2.449293402660708 (1.02647e-07% change) large trace change predicted (2.29789e-07%) linmin: converged after 7 iterations. iteration 704: trace = 2.449293397032493 (2.29789e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293389321189 (3.14838e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293387170937 (8.77907e-08% change) large trace change predicted (2.75883e-07%) linmin: converged after 13 iterations. iteration 707: trace = 2.449293380413677 (2.75886e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.449293376740355 (1.49975e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.449293374438893 (9.39643e-08% change) large trace change predicted (2.3725e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293368627877 (2.37253e-07% change) linmin: converged after 5 iterations. iteration 711: trace = 2.449293361874114 (2.75743e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293358047964 (1.56214e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.449293350432366 (3.1093e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.449293343172245 (2.96417e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293341495746 (6.84483e-08% change) large trace change predicted (3.32879e-07%) linmin: converged after 5 iterations. iteration 716: trace = 2.449293333342458 (3.32883e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293327903435 (2.22065e-07% change) linmin: converged after 5 iterations. iteration 718: trace = 2.449293326472478 (5.84233e-08% change) large trace change predicted (1.81779e-07%) linmin: converged after 8 iterations. iteration 719: trace = 2.449293322020201 (1.81778e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.449293317101661 (2.00815e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.449293315498709 (6.54455e-08% change) large trace change predicted (2.28961e-07%) linmin: converged after 4 iterations. iteration 722: trace = 2.449293309890793 (2.28961e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293304846273 (2.05958e-07% change) linmin: converged after 6 iterations. iteration 724: trace = 2.449293302406054 (9.96295e-08% change) large trace change predicted (3.20586e-07%) linmin: converged after 4 iterations. iteration 725: trace = 2.449293294553936 (3.20587e-07% change) linmin: converged after 16 iterations. iteration 726: trace = 2.449293286065541 (3.46565e-07% change) linmin: converged after 7 iterations. iteration 727: trace = 2.449293284358994 (6.96751e-08% change) large trace change predicted (2.39705e-07%) linmin: converged after 6 iterations. iteration 728: trace = 2.449293278487862 (2.39707e-07% change) linmin: converged after 2 iterations. iteration 729: trace = 2.449293271830818 (2.71794e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293269646035 (8.92005e-08% change) large trace change predicted (1.99113e-07%) linmin: converged after 9 iterations. iteration 731: trace = 2.44929326476915 (1.99114e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.449293256929876 (3.20063e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.449293255017268 (7.80881e-08% change) large trace change predicted (3.02027e-07%) linmin: converged after 4 iterations. iteration 734: trace = 2.449293247619684 (3.02029e-07% change) linmin: converged after 7 iterations. iteration 735: trace = 2.449293242918402 (1.91944e-07% change) linmin: converged after 4 iterations. iteration 736: trace = 2.449293239792965 (1.27606e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.449293237127113 (1.08842e-07% change) linmin: converged after 13 iterations. iteration 738: trace = 2.449293233197696 (1.60431e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293232153095 (4.26491e-08% change) large trace change predicted (1.24118e-07%) linmin: converged after 11 iterations. iteration 740: trace = 2.449293229113121 (1.24116e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.449293223275536 (2.38338e-07% change) linmin: converged after 5 iterations. iteration 742: trace = 2.449293215989949 (2.97457e-07% change) linmin: converged after 5 iterations. iteration 743: trace = 2.449293212828947 (1.29058e-07% change) large trace change predicted (3.29746e-07%) linmin: converged after 5 iterations. iteration 744: trace = 2.449293204752885 (3.2973e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293198921186 (2.38097e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.449293195926412 (1.22271e-07% change) large trace change predicted (3.28784e-07%) linmin: converged after 4 iterations. iteration 747: trace = 2.449293187873554 (3.28783e-07% change) linmin: converged after 10 iterations. iteration 748: trace = 2.44929318048013 (3.01859e-07% change) linmin: converged after 7 iterations. iteration 749: trace = 2.449293176783148 (1.50941e-07% change) large trace change predicted (3.41874e-07%) linmin: converged after 5 iterations. iteration 750: trace = 2.449293168409311 (3.41888e-07% change) linmin: converged after 6 iterations. iteration 751: trace = 2.449293161358077 (2.87889e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293158795709 (1.04617e-07% change) large trace change predicted (3.3662e-07%) linmin: converged after 5 iterations. iteration 753: trace = 2.449293150550567 (3.36634e-07% change) linmin: converged after 15 iterations. iteration 754: trace = 2.449293146104317 (1.81532e-07% change) linmin: converged after 17 iterations. iteration 755: trace = 2.449293142578431 (1.43955e-07% change) linmin: converged after 7 iterations. iteration 756: trace = 2.449293137636132 (2.01785e-07% change) linmin: converged after 3 iterations. iteration 757: trace = 2.449293134960425 (1.09244e-07% change) linmin: converged after 5 iterations. iteration 758: trace = 2.449293133890114 (4.36988e-08% change) large trace change predicted (2.12186e-07%) linmin: converged after 8 iterations. iteration 759: trace = 2.449293128692931 (2.12191e-07% change) linmin: converged after 2 iterations. iteration 760: trace = 2.44929312483052 (1.57695e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.449293122817416 (8.21912e-08% change) large trace change predicted (2.14328e-07%) linmin: converged after 18 iterations. iteration 762: trace = 2.449293117567795 (2.14332e-07% change) linmin: converged after 5 iterations. iteration 763: trace = 2.449293109478727 (3.30261e-07% change) linmin: converged after 16 iterations. iteration 764: trace = 2.449293107303254 (8.88204e-08% change) large trace change predicted (2.89887e-07%) linmin: converged after 7 iterations. iteration 765: trace = 2.449293100203215 (2.89881e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.449293092678574 (3.07217e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293089356407 (1.35638e-07% change) large trace change predicted (4.10872e-07%) linmin: converged after 4 iterations. iteration 768: trace = 2.449293079292906 (4.10874e-07% change) large trace change predicted (1.88903e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293033020493 (1.88922e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 770: trace = 2.449293017859338 (6.19001e-07% change) linmin: converged after 4 iterations. iteration 771: trace = 2.449292997335465 (8.37951e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.449292990055918 (2.9721e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.449292986875904 (1.29834e-07% change) linmin: converged after 6 iterations. iteration 774: trace = 2.44929298194117 (2.01476e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.449292977513544 (1.80772e-07% change) linmin: converged after 4 iterations. iteration 776: trace = 2.449292975985296 (6.23955e-08% change) large trace change predicted (1.40361e-07%) linmin: converged after 5 iterations. iteration 777: trace = 2.449292972547426 (1.40362e-07% change) linmin: converged after 6 iterations. iteration 778: trace = 2.449292970281747 (9.25034e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292968669508 (6.58247e-08% change) linmin: converged after 4 iterations. iteration 780: trace = 2.449292965488973 (1.29855e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.449292963452461 (8.31469e-08% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449292962030898 (5.80397e-08% change) linmin: converged after 5 iterations. iteration 783: trace = 2.449292960401037 (6.65441e-08% change) linmin: converged after 12 iterations. iteration 784: trace = 2.44929295936435 (4.2326e-08% change) linmin: converged after 3 iterations. iteration 785: trace = 2.449292957887395 (6.03013e-08% change) large trace change predicted (1.64174e-07%) linmin: converged after 7 iterations. iteration 786: trace = 2.449292953866421 (1.64169e-07% change) linmin: converged after 6 iterations. iteration 787: trace = 2.449292952324942 (6.29357e-08% change) linmin: converged after 22 iterations. iteration 788: trace = 2.449292949756055 (1.04883e-07% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292946340921 (1.39433e-07% change) linmin: converged after 12 iterations. iteration 790: trace = 2.449292943466925 (1.1734e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449292941449611 (8.23631e-08% change) large trace change predicted (1.76286e-07%) linmin: converged after 4 iterations. iteration 792: trace = 2.449292937131886 (1.76285e-07% change) linmin: converged after 6 iterations. iteration 793: trace = 2.44929293471257 (9.87761e-08% change) linmin: converged after 4 iterations. iteration 794: trace = 2.449292933570916 (4.66116e-08% change) large trace change predicted (1.0952e-07%) linmin: converged after 16 iterations. iteration 795: trace = 2.449292930888411 (1.09522e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.449292928472271 (9.86465e-08% change) linmin: converged after 9 iterations. iteration 797: trace = 2.44929292752214 (3.87921e-08% change) large trace change predicted (1.29005e-07%) linmin: converged after 5 iterations. iteration 798: trace = 2.449292924362227 (1.29013e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292922608704 (7.1593e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449292921987183 (2.53755e-08% change) linmin: converged after 4 iterations. iteration 801: trace = 2.449292920856802 (4.61513e-08% change) linmin: converged after 12 iterations. iteration 802: trace = 2.449292919242745 (6.58989e-08% change) linmin: converged after 4 iterations. iteration 803: trace = 2.449292918906371 (1.37335e-08% change) large trace change predicted (5.3093e-08%) linmin: converged after 13 iterations. iteration 804: trace = 2.449292917605954 (5.30936e-08% change) linmin: converged after 9 iterations. iteration 805: trace = 2.449292915746954 (7.58995e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292915173552 (2.34109e-08% change) large trace change predicted (1.23819e-07%) linmin: converged after 4 iterations. iteration 807: trace = 2.449292912140874 (1.23819e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292909165388 (1.21483e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.449292908355971 (3.3047e-08% change) linmin: converged after 8 iterations. iteration 810: trace = 2.449292907006068 (5.5114e-08% change) linmin: converged after 4 iterations. iteration 811: trace = 2.449292904765311 (9.14859e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449292904283508 (1.96711e-08% change) large trace change predicted (7.5548e-08%) linmin: converged after 6 iterations. iteration 813: trace = 2.449292902433123 (7.55477e-08% change) linmin: converged after 6 iterations. iteration 814: trace = 2.449292900882532 (6.33077e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449292900154227 (2.97353e-08% change) large trace change predicted (8.10514e-08%) linmin: converged after 11 iterations. iteration 816: trace = 2.44929289816905 (8.1051e-08% change) linmin: converged after 4 iterations. iteration 817: trace = 2.449292896565611 (6.54654e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292896116787 (1.83246e-08% change) large trace change predicted (6.52536e-08%) linmin: converged after 4 iterations. iteration 819: trace = 2.449292894518531 (6.52538e-08% change) linmin: converged after 4 iterations. iteration 820: trace = 2.449292893654204 (3.52888e-08% change) linmin: converged after 6 iterations. iteration 821: trace = 2.449292893082696 (2.33336e-08% change) linmin: converged after 6 iterations. iteration 822: trace = 2.449292892102284 (4.00284e-08% change) linmin: converged after 6 iterations. iteration 823: trace = 2.44929289059465 (6.15539e-08% change) linmin: converged after 5 iterations. iteration 824: trace = 2.449292890180633 (1.69035e-08% change) large trace change predicted (6.98948e-08%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929288846872 (6.98942e-08% change) linmin: converged after 4 iterations. iteration 826: trace = 2.449292887120091 (5.5062e-08% change) linmin: converged after 6 iterations. iteration 827: trace = 2.449292885710225 (5.75621e-08% change) linmin: converged after 2 iterations. iteration 828: trace = 2.449292884715976 (4.05933e-08% change) large trace change predicted (8.82631e-08%) linmin: converged after 6 iterations. iteration 829: trace = 2.449292882554172 (8.82624e-08% change) linmin: converged after 7 iterations. iteration 830: trace = 2.449292882047176 (2.06997e-08% change) linmin: converged after 16 iterations. iteration 831: trace = 2.44929288114976 (3.66398e-08% change) linmin: converged after 16 iterations. iteration 832: trace = 2.449292879853422 (5.2927e-08% change) linmin: converged after 7 iterations. iteration 833: trace = 2.449292879303432 (2.24551e-08% change) large trace change predicted (4.5898e-08%) linmin: converged after 4 iterations. iteration 834: trace = 2.449292878179263 (4.58977e-08% change) linmin: converged after 8 iterations. iteration 835: trace = 2.449292876556131 (6.62694e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292875733296 (3.35948e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.449292875150569 (2.37917e-08% change) linmin: converged after 4 iterations. iteration 838: trace = 2.449292874393678 (3.09024e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.449292874080253 (1.27965e-08% change) resetting CG direction... linmin: converged after 21 iterations. iteration 840: trace = 2.449292873967415 (4.60697e-09% change) large trace change predicted (1.69055e-08%) linmin: converged after 17 iterations. iteration 841: trace = 2.44929287355335 (1.69055e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.44929287306852 (1.97947e-08% change) linmin: converged after 7 iterations. iteration 843: trace = 2.449292872508723 (2.28555e-08% change) large trace change predicted (4.9977e-08%) linmin: converged after 9 iterations. iteration 844: trace = 2.449292871284631 (4.99774e-08% change) linmin: converged after 21 iterations. iteration 845: trace = 2.449292870579088 (2.8806e-08% change) linmin: converged after 13 iterations. iteration 846: trace = 2.449292869672021 (3.70338e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292868796988 (3.57259e-08% change) linmin: converged after 6 iterations. iteration 848: trace = 2.449292868026058 (3.14756e-08% change) linmin: converged after 5 iterations. iteration 849: trace = 2.449292867457215 (2.32248e-08% change) large trace change predicted (4.70101e-08%) linmin: converged after 10 iterations. iteration 850: trace = 2.449292866305782 (4.70108e-08% change) linmin: converged after 8 iterations. iteration 851: trace = 2.449292865714547 (2.4139e-08% change) large trace change predicted (6.01496e-08%) linmin: converged after 12 iterations. iteration 852: trace = 2.449292864241292 (6.01502e-08% change) linmin: converged after 4 iterations. iteration 853: trace = 2.449292863098565 (4.66554e-08% change) linmin: converged after 4 iterations. iteration 854: trace = 2.449292862614544 (1.97616e-08% change) large trace change predicted (3.99072e-08%) linmin: converged after 4 iterations. iteration 855: trace = 2.449292861637095 (3.99074e-08% change) linmin: converged after 10 iterations. iteration 856: trace = 2.449292860121806 (6.18664e-08% change) linmin: converged after 16 iterations. iteration 857: trace = 2.449292859769265 (1.43936e-08% change) large trace change predicted (3.14806e-08%) linmin: converged after 4 iterations. iteration 858: trace = 2.449292858998214 (3.14805e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.449292858159179 (3.42562e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292857763835 (1.61411e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.449292857082745 (2.78076e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929285597718 (4.51381e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292855555715 (1.72077e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.449292854812911 (3.03273e-08% change) large trace change predicted (6.69542e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.449292853173 (6.69545e-08% change) linmin: converged after 6 iterations. iteration 866: trace = 2.449292851727355 (5.9023e-08% change) linmin: converged after 22 iterations. iteration 867: trace = 2.449292851389133 (1.3809e-08% change) large trace change predicted (4.38061e-08%) linmin: converged after 9 iterations. iteration 868: trace = 2.449292850316193 (4.38061e-08% change) linmin: converged after 3 iterations. iteration 869: trace = 2.449292849136188 (4.81774e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.449292848822578 (1.28041e-08% change) large trace change predicted (4.5316e-08%) linmin: converged after 6 iterations. iteration 871: trace = 2.449292847712644 (4.53165e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292846443147 (5.18312e-08% change) linmin: converged after 6 iterations. iteration 873: trace = 2.449292845748386 (2.83658e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292845007645 (3.0243e-08% change) linmin: converged after 8 iterations. iteration 875: trace = 2.449292843850388 (4.72486e-08% change) linmin: converged after 4 iterations. iteration 876: trace = 2.449292843117773 (2.99113e-08% change) linmin: converged after 3 iterations. iteration 877: trace = 2.449292842599656 (2.11537e-08% change) linmin: converged after 4 iterations. iteration 878: trace = 2.449292841835009 (3.12191e-08% change) linmin: converged after 24 iterations. iteration 879: trace = 2.449292841435062 (1.63291e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292841175833 (1.05839e-08% change) large trace change predicted (4.84804e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.449292839988434 (4.84793e-08% change) linmin: converged after 6 iterations. iteration 882: trace = 2.449292839130921 (3.50106e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.449292838172862 (3.91157e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.4492928368989 (5.20135e-08% change) linmin: converged after 6 iterations. iteration 885: trace = 2.449292835283679 (6.59464e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292834895996 (1.58284e-08% change) large trace change predicted (6.78066e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.449292833235237 (6.78056e-08% change) linmin: converged after 7 iterations. iteration 888: trace = 2.449292832369222 (3.53578e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.449292831384404 (4.02083e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.449292830191172 (4.87174e-08% change) linmin: converged after 4 iterations. iteration 891: trace = 2.449292829316749 (3.5701e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.449292828219289 (4.48072e-08% change) linmin: converged after 2 iterations. iteration 893: trace = 2.449292826985967 (5.03542e-08% change) linmin: converged after 15 iterations. iteration 894: trace = 2.449292826584196 (1.64036e-08% change) large trace change predicted (4.22061e-08%) linmin: converged after 4 iterations. iteration 895: trace = 2.449292825550431 (4.22066e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.449292824858348 (2.82565e-08% change) linmin: converged after 4 iterations. iteration 897: trace = 2.449292824362147 (2.0259e-08% change) linmin: converged after 9 iterations. iteration 898: trace = 2.449292824113142 (1.01664e-08% change) large trace change predicted (3.98197e-08%) linmin: converged after 5 iterations. iteration 899: trace = 2.449292823137826 (3.98203e-08% change) linmin: converged after 4 iterations. iteration 900: trace = 2.449292822549128 (2.40354e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.449292822024046 (2.14381e-08% change) linmin: converged after 2 iterations. iteration 902: trace = 2.449292821063121 (3.92327e-08% change) linmin: converged after 5 iterations. iteration 903: trace = 2.44929281949104 (6.41851e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292819103697 (1.58145e-08% change) large trace change predicted (6.34558e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.449292817549491 (6.34553e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.449292816251781 (5.29831e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.449292815514756 (3.00913e-08% change) large trace change predicted (9.99597e-08%) linmin: converged after 6 iterations. iteration 908: trace = 2.449292813066457 (9.99594e-08% change) large trace change predicted (2.32544e-07%) linmin: converged after 2 iterations. iteration 909: trace = 2.44929280737074 (2.32545e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292804767744 (1.06275e-07% change) linmin: converged after 2 iterations. iteration 911: trace = 2.449292802463312 (9.40856e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292800963751 (6.12242e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.4492928003545 (2.48746e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.449292799184187 (4.77817e-08% change) linmin: converged after 12 iterations. iteration 915: trace = 2.449292798406269 (3.17609e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292798101766 (1.24323e-08% change) large trace change predicted (2.81206e-08%) linmin: converged after 5 iterations. iteration 917: trace = 2.449292797412998 (2.81211e-08% change) linmin: converged after 5 iterations. iteration 918: trace = 2.449292796953241 (1.8771e-08% change) linmin: converged after 24 iterations. iteration 919: trace = 2.449292796599247 (1.44529e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.449292796051903 (2.2347e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292795842403 (8.55347e-09% change) linmin: converged after 3 iterations. iteration 922: trace = 2.449292795507014 (1.36933e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292795126459 (1.55373e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292794644464 (1.96789e-08% change) linmin: converged after 17 iterations. iteration 925: trace = 2.449292794445311 (8.13106e-09% change) large trace change predicted (2.50347e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292793832144 (2.50344e-08% change) linmin: converged after 23 iterations. iteration 927: trace = 2.44929279346304 (1.50698e-08% change) linmin: converged after 5 iterations. iteration 928: trace = 2.449292793159334 (1.23997e-08% change) large trace change predicted (3.61892e-08%) linmin: converged after 7 iterations. iteration 929: trace = 2.449292792272968 (3.61886e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.449292791951839 (1.31111e-08% change) linmin: converged after 5 iterations. iteration 931: trace = 2.449292791582293 (1.50879e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292790908833 (2.74961e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292790287225 (2.53791e-08% change) linmin: converged after 16 iterations. iteration 934: trace = 2.449292790149227 (5.6342e-09% change) large trace change predicted (2.59762e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.449292789512982 (2.59767e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.449292788960277 (2.25659e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292788817194 (5.84182e-09% change) large trace change predicted (1.65993e-08%) linmin: converged after 4 iterations. iteration 938: trace = 2.449292788410628 (1.65993e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292788061161 (1.42681e-08% change) linmin: converged after 5 iterations. iteration 940: trace = 2.449292787904088 (6.41298e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292787727407 (7.21355e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.449292787440076 (1.17312e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292787216697 (9.12013e-09% change) linmin: converged after 14 iterations. iteration 944: trace = 2.449292787086417 (5.31911e-09% change) large trace change predicted (2.13184e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292786564272 (2.13182e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292786386931 (7.24049e-09% change) large trace change predicted (2.13741e-08%) linmin: converged after 6 iterations. iteration 947: trace = 2.449292785863411 (2.13743e-08% change) linmin: converged after 2 iterations. iteration 948: trace = 2.449292785444216 (1.71149e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292785222719 (9.04329e-09% change) linmin: converged after 6 iterations. iteration 950: trace = 2.449292784831595 (1.59689e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.449292784342337 (1.99755e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.449292784199534 (5.8304e-09% change) linmin: converged after 17 iterations. iteration 953: trace = 2.449292783988332 (8.62297e-09% change) linmin: converged after 5 iterations. iteration 954: trace = 2.449292783654258 (1.36396e-08% change) linmin: converged after 4 iterations. iteration 955: trace = 2.449292783500174 (6.29095e-09% change) linmin: converged after 2 iterations. iteration 956: trace = 2.449292783208447 (1.19106e-08% change) linmin: converged after 6 iterations. iteration 957: trace = 2.449292782947198 (1.06663e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292782853326 (3.8326e-09% change) large trace change predicted (8.90601e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.449292782635202 (8.9056e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.449292782448499 (7.62273e-09% change) linmin: converged after 15 iterations. iteration 961: trace = 2.449292782248253 (8.17567e-09% change) linmin: converged after 16 iterations. iteration 962: trace = 2.449292782146571 (4.15146e-09% change) large trace change predicted (1.25185e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292781839952 (1.25187e-08% change) linmin: converged after 12 iterations. iteration 964: trace = 2.4492927815918 (1.01315e-08% change) linmin: converged after 6 iterations. iteration 965: trace = 2.449292781489148 (4.19109e-09% change) large trace change predicted (1.03353e-08%) linmin: converged after 13 iterations. iteration 966: trace = 2.449292781236014 (1.0335e-08% change) linmin: converged after 17 iterations. iteration 967: trace = 2.449292780804872 (1.76027e-08% change) linmin: converged after 27 iterations. iteration 968: trace = 2.449292780674483 (5.32354e-09% change) large trace change predicted (1.3142e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.449292780352598 (1.31419e-08% change) linmin: converged after 22 iterations. iteration 970: trace = 2.449292780049838 (1.23611e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292779979538 (2.87022e-09% change) large trace change predicted (1.13314e-08%) linmin: converged after 4 iterations. iteration 972: trace = 2.449292779702009 (1.1331e-08% change) linmin: converged after 19 iterations. iteration 973: trace = 2.449292779538785 (6.6641e-09% change) linmin: converged after 5 iterations. iteration 974: trace = 2.449292779394868 (5.87587e-09% change) linmin: converged after 21 iterations. iteration 975: trace = 2.449292779154436 (9.81639e-09% change) linmin: converged after 4 iterations. iteration 976: trace = 2.449292778961834 (7.86359e-09% change) linmin: converged after 8 iterations. iteration 977: trace = 2.449292778861067 (4.11411e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292778715018 (5.96292e-09% change) linmin: converged after 3 iterations. iteration 979: trace = 2.449292778660124 (2.24121e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292778642429 (7.22461e-10% change) large trace change predicted (1.8637e-09%) linmin: converged after 10 iterations. iteration 981: trace = 2.449292778596778 (1.86383e-09% change) large trace change predicted (4.79827e-09%) linmin: converged after 16 iterations. iteration 982: trace = 2.449292778479253 (4.79833e-09% change) linmin: converged after 5 iterations. iteration 983: trace = 2.449292778403906 (3.07625e-09% change) large trace change predicted (7.38274e-09%) linmin: converged after 7 iterations. iteration 984: trace = 2.449292778223077 (7.38293e-09% change) linmin: converged after 3 iterations. iteration 985: trace = 2.449292778008108 (8.77676e-09% change) linmin: converged after 4 iterations. iteration 986: trace = 2.449292777899364 (4.43982e-09% change) linmin: converged after 4 iterations. iteration 987: trace = 2.44929277773461 (6.72661e-09% change) linmin: converged after 4 iterations. iteration 988: trace = 2.44929277748362 (1.02474e-08% change) linmin: converged after 16 iterations. iteration 989: trace = 2.449292777430113 (2.18461e-09% change) large trace change predicted (9.29698e-09%) linmin: converged after 10 iterations. iteration 990: trace = 2.449292777202406 (9.29684e-09% change) linmin: converged after 4 iterations. iteration 991: trace = 2.44929277696782 (9.57773e-09% change) linmin: converged after 18 iterations. iteration 992: trace = 2.449292776861291 (4.34938e-09% change) large trace change predicted (1.12244e-08%) linmin: converged after 2 iterations. iteration 993: trace = 2.449292776586386 (1.12238e-08% change) linmin: converged after 6 iterations. iteration 994: trace = 2.449292776349524 (9.67063e-09% change) linmin: converged after 5 iterations. iteration 995: trace = 2.449292776278055 (2.91793e-09% change) large trace change predicted (9.96082e-09%) linmin: converged after 4 iterations. iteration 996: trace = 2.449292776034087 (9.96075e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292775870198 (6.69129e-09% change) linmin: converged after 3 iterations. iteration 998: trace = 2.449292775812048 (2.37417e-09% change) large trace change predicted (7.34534e-09%) linmin: converged after 7 iterations. iteration 999: trace = 2.449292775632143 (7.34516e-09% change) linmin: converged after 7 iterations. iteration 1000: trace = 2.449292775487076 (5.92281e-09% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.449292775440195 (1.91405e-09% change) large trace change predicted (5.54556e-09%) linmin: converged after 5 iterations. iteration 1002: trace = 2.449292775304374 (5.54534e-09% change) linmin: converged after 7 iterations. iteration 1003: trace = 2.449292775126637 (7.25665e-09% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292775074531 (2.1274e-09% change) large trace change predicted (1.21033e-08%) linmin: converged after 6 iterations. iteration 1005: trace = 2.449292774778077 (1.21037e-08% change) linmin: converged after 8 iterations. iteration 1006: trace = 2.449292774512282 (1.08519e-08% change) linmin: converged after 18 iterations. iteration 1007: trace = 2.449292774367768 (5.90022e-09% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.449292774282644 (3.47545e-09% change) large trace change predicted (9.99848e-09%) linmin: converged after 4 iterations. iteration 1009: trace = 2.449292774037751 (9.9985e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292773823038 (8.76633e-09% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.449292773693298 (5.29707e-09% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.449292773530047 (6.6652e-09% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.449292773211893 (1.29896e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.4492927730975 (4.67047e-09% change) linmin: converged after 4 iterations. iteration 1015: trace = 2.44929277290337 (7.92598e-09% change) linmin: converged after 7 iterations. iteration 1016: trace = 2.449292772717558 (7.58633e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292772670309 (1.92908e-09% change) large trace change predicted (4.34693e-09%) linmin: converged after 4 iterations. iteration 1018: trace = 2.449292772563841 (4.34689e-09% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.449292772441809 (4.98232e-09% change) linmin: converged after 10 iterations. iteration 1020: trace = 2.449292772349872 (3.75362e-09% change) linmin: converged after 14 iterations. iteration 1021: trace = 2.449292772194014 (6.36339e-09% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292771984177 (8.56727e-09% change) linmin: converged after 7 iterations. iteration 1023: trace = 2.449292771864493 (4.88645e-09% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.449292771642871 (9.04842e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.44929277126778 (1.53143e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.449292771183107 (3.45706e-09% change) large trace change predicted (9.18166e-09%) linmin: converged after 4 iterations. iteration 1027: trace = 2.449292770958227 (9.18139e-09% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292770749206 (8.53392e-09% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292770651521 (3.98833e-09% change) large trace change predicted (9.64777e-09%) linmin: converged after 4 iterations. iteration 1030: trace = 2.449292770415231 (9.64726e-09% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.449292770083744 (1.3534e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.4492927700224 (2.50457e-09% change) large trace change predicted (8.77186e-09%) linmin: converged after 15 iterations. iteration 1033: trace = 2.449292769807539 (8.77235e-09% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292769616413 (7.80334e-09% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292769562297 (2.20943e-09% change) large trace change predicted (6.11638e-09%) linmin: converged after 13 iterations. iteration 1036: trace = 2.44929276941248 (6.11675e-09% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292769286351 (5.1496e-09% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.449292769224287 (2.53398e-09% change) linmin: converged after 19 iterations. iteration 1039: trace = 2.44929276910249 (4.97272e-09% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.449292768979161 (5.0353e-09% change) large trace change predicted (1.02177e-08%) linmin: converged after 7 iterations. iteration 1041: trace = 2.449292768728897 (1.02178e-08% change) linmin: converged after 25 iterations. iteration 1042: trace = 2.449292768668198 (2.47823e-09% change) large trace change predicted (1.08394e-08%) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292768402714 (1.08392e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292768186227 (8.83877e-09% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292768080908 (4.29995e-09% change) large trace change predicted (1.20036e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292767786905 (1.20036e-08% change) linmin: converged after 16 iterations. iteration 1047: trace = 2.449292767317353 (1.91709e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.4492927669618 (1.45166e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.449292766428851 (2.17593e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.449292765968325 (1.88024e-08% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.44929276571488 (1.03477e-08% change) linmin: converged after 6 iterations. iteration 1052: trace = 2.449292765371522 (1.40186e-08% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.449292765277895 (3.82265e-09% change) large trace change predicted (7.97857e-09%) linmin: converged after 6 iterations. iteration 1054: trace = 2.44929276508247 (7.97883e-09% change) linmin: converged after 9 iterations. iteration 1055: trace = 2.449292764915714 (6.80833e-09% change) linmin: converged after 10 iterations. iteration 1056: trace = 2.449292764819785 (3.91658e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292764727159 (3.78174e-09% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.449292764583072 (5.88282e-09% change) linmin: converged after 3 iterations. iteration 1059: trace = 2.449292764546222 (1.50452e-09% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.449292764473461 (2.97067e-09% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.449292764372156 (4.13608e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.44929276434261 (1.20631e-09% change) large trace change predicted (3.00343e-09%) linmin: converged after 23 iterations. iteration 1063: trace = 2.449292764269038 (3.00383e-09% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292764168866 (4.08983e-09% change) linmin: converged after 6 iterations. iteration 1065: trace = 2.449292764134953 (1.38458e-09% change) large trace change predicted (5.27524e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292764005743 (5.27542e-09% change) linmin: converged after 6 iterations. iteration 1067: trace = 2.449292763884682 (4.94269e-09% change) linmin: converged after 14 iterations. iteration 1068: trace = 2.449292763841545 (1.7612e-09% change) large trace change predicted (6.20926e-09%) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292763689454 (6.2096e-09% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.449292763603154 (3.52344e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.449292763560514 (1.74092e-09% change) large trace change predicted (4.86847e-09%) linmin: converged after 5 iterations. iteration 1072: trace = 2.449292763441272 (4.86842e-09% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.44929276332374 (4.79862e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.449292763290435 (1.35978e-09% change) large trace change predicted (4.88064e-09%) linmin: converged after 5 iterations. iteration 1075: trace = 2.449292763170891 (4.88075e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292763072989 (3.99716e-09% change) linmin: converged after 4 iterations. iteration 1077: trace = 2.449292762995178 (3.17688e-09% change) linmin: converged after 9 iterations. iteration 1078: trace = 2.449292762971944 (9.48595e-10% change) large trace change predicted (3.05053e-09%) linmin: converged after 4 iterations. iteration 1079: trace = 2.44929276289723 (3.05043e-09% change) linmin: converged after 13 iterations. iteration 1080: trace = 2.449292762855669 (1.69686e-09% change) linmin: converged after 12 iterations. iteration 1081: trace = 2.449292762837263 (7.51471e-10% change) large trace change predicted (2.23762e-09%) linmin: converged after 12 iterations. iteration 1082: trace = 2.44929276278246 (2.23753e-09% change) linmin: converged after 14 iterations. iteration 1083: trace = 2.449292762713095 (2.83202e-09% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.449292762687419 (1.04832e-09% change) large trace change predicted (5.03792e-09%) linmin: converged after 7 iterations. iteration 1085: trace = 2.449292762564024 (5.03799e-09% change) linmin: converged after 18 iterations. iteration 1086: trace = 2.449292762456729 (4.38065e-09% change) linmin: converged after 18 iterations. iteration 1087: trace = 2.449292762417846 (1.58749e-09% change) large trace change predicted (3.1791e-09%) linmin: converged after 3 iterations. iteration 1088: trace = 2.449292762339978 (3.17922e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292762236167 (4.23841e-09% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.449292762214396 (8.88852e-10% change) large trace change predicted (3.58121e-09%) linmin: converged after 4 iterations. iteration 1091: trace = 2.44929276212669 (3.5809e-09% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292762069378 (2.33992e-09% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.449292762012817 (2.30928e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.449292761982268 (1.24725e-09% change) large trace change predicted (3.10232e-09%) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292761906284 (3.10231e-09% change) linmin: converged after 15 iterations. iteration 1096: trace = 2.449292761891368 (6.08995e-10% change) large trace change predicted (1.63706e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292761851263 (1.63739e-09% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.449292761807737 (1.77711e-09% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.449292761793073 (5.98678e-10% change) large trace change predicted (1.42501e-09%) linmin: converged after 13 iterations. iteration 1100: trace = 2.449292761758168 (1.4251e-09% change) linmin: converged after 15 iterations. iteration 1101: trace = 2.449292761707303 (2.07673e-09% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.44929276169212 (6.1991e-10% change) large trace change predicted (1.7834e-09%) linmin: converged after 22 iterations. iteration 1103: trace = 2.449292761648443 (1.78323e-09% change) linmin: converged after 5 iterations. iteration 1104: trace = 2.449292761585703 (2.56158e-09% change) linmin: converged after 21 iterations. iteration 1105: trace = 2.449292761543351 (1.72913e-09% change) linmin: converged after 2 iterations. iteration 1106: trace = 2.449292761507111 (1.47962e-09% change) large trace change predicted (3.44618e-09%) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292761422707 (3.44604e-09% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.449292761353378 (2.83059e-09% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.449292761327601 (1.05241e-09% change) linmin: converged after 12 iterations. iteration 1110: trace = 2.44929276128173 (1.87282e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292761220391 (2.50435e-09% change) linmin: converged after 6 iterations. iteration 1112: trace = 2.449292761208689 (4.77779e-10% change) large trace change predicted (2.07531e-09%) linmin: converged after 4 iterations. iteration 1113: trace = 2.449292761157852 (2.0756e-09% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.449292761110674 (1.92616e-09% change) linmin: converged after 9 iterations. iteration 1115: trace = 2.44929276108564 (1.02212e-09% change) linmin: converged after 2 iterations. iteration 1116: trace = 2.449292761053592 (1.30847e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.449292761030066 (9.60489e-10% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.449292761024818 (2.14276e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.44929276101568 (3.73088e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.449292761007742 (3.24079e-10% change) linmin: converged after 10 iterations. iteration 1121: trace = 2.44929276100358 (1.69945e-10% change) large trace change predicted (7.80825e-10%) linmin: converged after 3 iterations. iteration 1122: trace = 2.449292760984458 (7.80717e-10% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.44929276096336 (8.61383e-10% change) linmin: converged after 8 iterations. iteration 1124: trace = 2.449292760939866 (9.5922e-10% change) linmin: converged after 18 iterations. iteration 1125: trace = 2.449292760897241 (1.74028e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.449292760848863 (1.97519e-09% change) linmin: converged after 5 iterations. iteration 1127: trace = 2.449292760837915 (4.4701e-10% change) large trace change predicted (2.25817e-09%) linmin: converged after 2 iterations. iteration 1128: trace = 2.44929276078261 (2.258e-09% change) linmin: converged after 8 iterations. iteration 1129: trace = 2.449292760754957 (1.12898e-09% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.449292760730642 (9.92763e-10% change) large trace change predicted (2.03515e-09%) linmin: converged after 7 iterations. iteration 1131: trace = 2.449292760680793 (2.03524e-09% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.449292760631572 (2.00959e-09% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.449292760604489 (1.10574e-09% change) large trace change predicted (2.32198e-09%) linmin: converged after 4 iterations. iteration 1134: trace = 2.44929276054762 (2.32188e-09% change) linmin: converged after 21 iterations. iteration 1135: trace = 2.4492927605003 (1.93198e-09% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.449292760486126 (5.78697e-10% change) large trace change predicted (1.34256e-09%) linmin: converged after 7 iterations. iteration 1137: trace = 2.449292760453242 (1.34259e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292760418562 (1.41593e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.449292760409395 (3.74267e-10% change) large trace change predicted (1.20718e-09%) linmin: converged after 7 iterations. iteration 1140: trace = 2.449292760379826 (1.20722e-09% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.449292760356247 (9.62719e-10% change) linmin: converged after 16 iterations. iteration 1142: trace = 2.449292760344707 (4.71124e-10% change) large trace change predicted (1.27546e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.449292760313462 (1.2757e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.449292760266365 (1.92286e-09% change) linmin: converged after 9 iterations. iteration 1145: trace = 2.449292760255133 (4.58577e-10% change) large trace change predicted (1.91525e-09%) linmin: converged after 6 iterations. iteration 1146: trace = 2.449292760208221 (1.91534e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292760169658 (1.57445e-09% change) linmin: converged after 19 iterations. iteration 1148: trace = 2.449292760156511 (5.3676e-10% change) large trace change predicted (1.9284e-09%) linmin: converged after 19 iterations. iteration 1149: trace = 2.449292760109271 (1.92874e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292760072884 (1.48561e-09% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.449292760044754 (1.14851e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760010435 (1.40117e-09% change) large trace change predicted (3.03388e-09%) linmin: converged after 2 iterations. iteration 1153: trace = 2.44929275993613 (3.03373e-09% change) linmin: converged after 8 iterations. iteration 1154: trace = 2.449292759906359 (1.21549e-09% change) linmin: converged after 15 iterations. iteration 1155: trace = 2.449292759858777 (1.94266e-09% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292759822857 (1.46657e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.449292759797514 (1.03468e-09% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.449292759789126 (3.42501e-10% change) large trace change predicted (1.0153e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292759764242 (1.01595e-09% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.449292759728197 (1.47165e-09% change) linmin: converged after 7 iterations. iteration 1161: trace = 2.449292759715638 (5.12754e-10% change) large trace change predicted (1.54497e-09%) linmin: converged after 8 iterations. iteration 1162: trace = 2.4492927596778 (1.54488e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.449292759626884 (2.07877e-09% change) linmin: converged after 6 iterations. iteration 1164: trace = 2.449292759608432 (7.53393e-10% change) large trace change predicted (2.37225e-09%) linmin: converged after 10 iterations. iteration 1165: trace = 2.449292759550325 (2.37239e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.449292759509685 (1.65925e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292759482831 (1.09638e-09% change) linmin: converged after 12 iterations. iteration 1168: trace = 2.449292759453837 (1.18378e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.449292759399416 (2.22188e-09% change) linmin: converged after 10 iterations. iteration 1170: trace = 2.449292759378642 (8.48183e-10% change) large trace change predicted (2.1927e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292759324932 (2.19287e-09% change) linmin: converged after 15 iterations. iteration 1172: trace = 2.449292759281017 (1.79297e-09% change) linmin: converged after 7 iterations. iteration 1173: trace = 2.449292759251759 (1.19453e-09% change) linmin: converged after 13 iterations. iteration 1174: trace = 2.449292759226954 (1.01278e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759191787 (1.43578e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292759176609 (6.19674e-10% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.449292759167176 (3.85146e-10% change) large trace change predicted (1.32493e-09%) linmin: converged after 14 iterations. iteration 1178: trace = 2.449292759134728 (1.3248e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.449292759103133 (1.28993e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.44929275909218 (4.47227e-10% change) large trace change predicted (1.78244e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292759048531 (1.78209e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.449292759012669 (1.4642e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292758991429 (8.67185e-10% change) large trace change predicted (1.92437e-09%) linmin: converged after 15 iterations. iteration 1184: trace = 2.449292758944294 (1.9244e-09% change) linmin: converged after 16 iterations. iteration 1185: trace = 2.449292758888086 (2.2949e-09% change) linmin: converged after 16 iterations. iteration 1186: trace = 2.449292758862216 (1.05622e-09% change) large trace change predicted (3.36071e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.4492927587799 (3.36079e-09% change) linmin: converged after 2 iterations. iteration 1188: trace = 2.449292758728909 (2.08187e-09% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.449292758646394 (3.36891e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.449292758570232 (3.10956e-09% change) linmin: converged after 5 iterations. iteration 1191: trace = 2.449292758528312 (1.71154e-09% change) linmin: converged after 6 iterations. iteration 1192: trace = 2.449292758463964 (2.62719e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.449292758444641 (7.8893e-10% change) large trace change predicted (1.66761e-09%) linmin: converged after 18 iterations. iteration 1194: trace = 2.449292758403796 (1.66759e-09% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.449292758371266 (1.32814e-09% change) linmin: converged after 7 iterations. iteration 1196: trace = 2.449292758357194 (5.74545e-10% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.449292758334138 (9.41324e-10% change) linmin: converged after 3 iterations. iteration 1198: trace = 2.449292758306159 (1.14236e-09% change) linmin: converged after 11 iterations. iteration 1199: trace = 2.449292758299229 (2.82921e-10% change) large trace change predicted (8.66803e-10%) linmin: converged after 9 iterations. iteration 1200: trace = 2.449292758277997 (8.66859e-10% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758256874 (8.62398e-10% change) linmin: converged after 6 iterations. iteration 1202: trace = 2.44929275825095 (2.41872e-10% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.44929275823966 (4.60953e-10% change) linmin: converged after 19 iterations. iteration 1204: trace = 2.449292758217747 (8.94672e-10% change) linmin: converged after 10 iterations. iteration 1205: trace = 2.449292758210747 (2.85804e-10% change) large trace change predicted (1.131e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.449292758183054 (1.13063e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292758157191 (1.05593e-09% change) linmin: converged after 8 iterations. iteration 1208: trace = 2.449292758128336 (1.17812e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758116175 (4.96526e-10% change) large trace change predicted (1.09776e-09%) linmin: converged after 6 iterations. iteration 1210: trace = 2.449292758089271 (1.09841e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.44929275807355 (6.41867e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758064461 (3.71076e-10% change) linmin: converged after 6 iterations. iteration 1213: trace = 2.449292758046835 (7.19632e-10% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.44929275802047 (1.07644e-09% change) linmin: converged after 3 iterations. iteration 1215: trace = 2.44929275801478 (2.32335e-10% change) large trace change predicted (8.12678e-10%) linmin: converged after 19 iterations. iteration 1216: trace = 2.449292757994878 (8.12537e-10% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292757980141 (6.01706e-10% change) linmin: converged after 3 iterations. iteration 1218: trace = 2.449292757974836 (2.16597e-10% change) large trace change predicted (5.59722e-10%) linmin: converged after 18 iterations. iteration 1219: trace = 2.449292757961126 (5.5975e-10% change) linmin: converged after 5 iterations. iteration 1220: trace = 2.449292757950947 (4.15588e-10% change) linmin: converged after 4 iterations. iteration 1221: trace = 2.449292757947216 (1.52303e-10% change) large trace change predicted (4.28529e-10%) linmin: converged after 6 iterations. iteration 1222: trace = 2.449292757936721 (4.28498e-10% change) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292757921767 (6.10554e-10% change) linmin: converged after 3 iterations. iteration 1224: trace = 2.449292757912874 (3.63098e-10% change) large trace change predicted (9.90502e-10%) linmin: converged after 9 iterations. iteration 1225: trace = 2.449292757888617 (9.90333e-10% change) linmin: converged after 15 iterations. iteration 1226: trace = 2.44929275786038 (1.15288e-09% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.449292757845739 (5.97753e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292757838752 (2.85278e-10% change) large trace change predicted (7.35967e-10%) linmin: converged after 4 iterations. iteration 1229: trace = 2.449292757820726 (7.35969e-10% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.449292757806199 (5.93094e-10% change) linmin: converged after 3 iterations. iteration 1231: trace = 2.449292757800715 (2.23904e-10% change) large trace change predicted (5.02954e-10%) linmin: converged after 4 iterations. iteration 1232: trace = 2.449292757788395 (5.03035e-10% change) linmin: converged after 13 iterations. iteration 1233: trace = 2.449292757772279 (6.57986e-10% change) linmin: converged after 7 iterations. iteration 1234: trace = 2.449292757767738 (1.85375e-10% change) large trace change predicted (5.15055e-10%) linmin: converged after 6 iterations. iteration 1235: trace = 2.449292757755121 (5.15129e-10% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.449292757747561 (3.0865e-10% change) linmin: converged after 6 iterations. iteration 1237: trace = 2.449292757741099 (2.63865e-10% change) linmin: converged after 3 iterations. iteration 1238: trace = 2.449292757736615 (1.83036e-10% change) linmin: converged after 6 iterations. iteration 1239: trace = 2.449292757727691 (3.64385e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292757725059 (1.07446e-10% change) large trace change predicted (3.94538e-10%) linmin: converged after 6 iterations. iteration 1241: trace = 2.449292757715408 (3.94012e-10% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.449292757707109 (3.38856e-10% change) linmin: converged after 2 iterations. iteration 1243: trace = 2.449292757703049 (1.65738e-10% change) large trace change predicted (5.3833e-10%) linmin: converged after 16 iterations. iteration 1244: trace = 2.449292757689868 (5.38156e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292757674787 (6.1574e-10% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.44929275766581 (3.66525e-10% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.449292757655007 (4.41044e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757641816 (5.38591e-10% change) linmin: converged after 6 iterations. iteration 1249: trace = 2.449292757632077 (3.9762e-10% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.449292757628572 (1.43092e-10% change) large trace change predicted (5.66461e-10%) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292757614693 (5.66676e-10% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292757604955 (3.97547e-10% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.44929275760057 (1.79065e-10% change) large trace change predicted (3.60655e-10%) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757591733 (3.60795e-10% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.449292757582814 (3.64131e-10% change) linmin: converged after 3 iterations. iteration 1256: trace = 2.449292757579361 (1.40989e-10% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 12.661685705184937 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861294823707 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854223892372 (0.318771% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310860216668 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172950204133 (0.0455393% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678864135456 (0.0998863% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170593955623 (0.0203681% change) linmin: converged after 6 iterations. iteration 7: trace = 2.494660906209061 (0.0204291% change) linmin: converged after 3 iterations. iteration 8: trace = 2.494390041883609 (0.0108584% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240374217128 (0.00600035% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053174731029 (0.00750555% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006825486339 (0.00185841% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.4938539337283 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809367813176 (0.00178705% change) large trace change predicted (0.00364813%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718828130056 (0.00363064% change) linmin: converged after 5 iterations. iteration 15: trace = 2.493653590997041 (0.00261609% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597478449508 (0.00225024% change) large trace change predicted (0.00494521%) linmin: converged after 5 iterations. iteration 17: trace = 2.493474380662515 (0.00493668% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424211282409 (0.00201205% change) large trace change predicted (0.00492523%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301803556187 (0.00490934% change) linmin: converged after 5 iterations. iteration 20: trace = 2.493243906051005 (0.00232215% change) large trace change predicted (0.00472084%) linmin: converged after 4 iterations. iteration 21: trace = 2.49312657023029 (0.00470626% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032187772082 (0.00378578% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931282130852 (0.00404759% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785228344313 (0.00585889% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694607675644 (0.00363538% change) linmin: converged after 3 iterations. iteration 26: trace = 2.49255659821512 (0.00553671% change) linmin: converged after 6 iterations. iteration 27: trace = 2.492504536387946 (0.00208871% change) large trace change predicted (0.00584589%) linmin: converged after 5 iterations. iteration 28: trace = 2.492359092471954 (0.00583542% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292349087578 (0.00267796% change) linmin: converged after 4 iterations. iteration 30: trace = 2.492204279010497 (0.00353376% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122077924615 (0.00329838% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088499467698 (0.00134739% change) large trace change predicted (0.00374959%) linmin: converged after 6 iterations. iteration 33: trace = 2.491995155120871 (0.0037457% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973065110292 (0.000886443% change) large trace change predicted (0.00384145%) linmin: converged after 7 iterations. iteration 35: trace = 2.49187743560066 (0.00383758% change) linmin: converged after 17 iterations. iteration 36: trace = 2.491799717427675 (0.00311891% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716656516858 (0.00333343% change) large trace change predicted (0.00753776%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529155564599 (0.00752525% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464441983394 (0.00259738% change) large trace change predicted (0.00785127%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269246541563 (0.00783487% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195511873895 (0.00295977% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085264280376 (0.00442559% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014765050342 (0.0028301% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969415878733 (0.00182053% change) large trace change predicted (0.0053874%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834911351619 (0.00539983% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789502484418 (0.00182305% change) large trace change predicted (0.0100849%) linmin: converged after 3 iterations. iteration 47: trace = 2.49053647452969 (0.0101591% change) linmin: converged after 20 iterations. iteration 48: trace = 2.490423740490455 (0.0045266% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250082384984 (0.00697328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020799246789 (0.00920766% change) linmin: converged after 5 iterations. iteration 51: trace = 2.489949055174652 (0.00288131% change) large trace change predicted (0.00946168%) linmin: converged after 3 iterations. iteration 52: trace = 2.48971117962506 (0.00955389% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658491902614 (0.00211624% change) large trace change predicted (0.00434355%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549898127971 (0.00436189% change) linmin: converged after 5 iterations. iteration 55: trace = 2.48947062557736 (0.00318426% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407081986692 (0.00255253% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315107827438 (0.00369469% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272616817455 (0.00170695% change) large trace change predicted (0.0035833%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183274694564 (0.00358915% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147397629161 (0.00144133% change) large trace change predicted (0.00337187%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063390627739 (0.00337499% change) linmin: converged after 7 iterations. iteration 62: trace = 2.489014206089442 (0.00197605% change) linmin: converged after 3 iterations. iteration 63: trace = 2.488950741324421 (0.00254983% change) linmin: converged after 3 iterations. iteration 64: trace = 2.488865312927528 (0.00343236% change) linmin: converged after 9 iterations. iteration 65: trace = 2.48882896850126 (0.00146029% change) linmin: converged after 3 iterations. iteration 66: trace = 2.48876392857978 (0.00261331% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735831145782 (0.00112898% change) large trace change predicted (0.00312832%) linmin: converged after 4 iterations. iteration 68: trace = 2.488658025727338 (0.00312635% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603332566496 (0.00219772% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574488312971 (0.00115906% change) large trace change predicted (0.00249044%) linmin: converged after 3 iterations. iteration 71: trace = 2.48851254333619 (0.00248921% change) linmin: converged after 4 iterations. iteration 72: trace = 2.488484811407522 (0.0011144% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451517226611 (0.00133794% change) large trace change predicted (0.00319143%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372331770319 (0.00318217% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356743306831 (0.000626454% change) large trace change predicted (0.00189955%) linmin: converged after 17 iterations. iteration 76: trace = 2.488309528844206 (0.00189743% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271470308082 (0.00152951% change) linmin: converged after 6 iterations. iteration 78: trace = 2.48825801210287 (0.000540867% change) large trace change predicted (0.00171403%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215444516833 (0.00171075% change) linmin: converged after 5 iterations. iteration 80: trace = 2.488166265906318 (0.00197648% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145088281531 (0.000851137% change) linmin: converged after 8 iterations. iteration 82: trace = 2.488106107642166 (0.00156667% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066356131985 (0.00159767% change) linmin: converged after 4 iterations. iteration 84: trace = 2.488048660012617 (0.000711242% change) large trace change predicted (0.00194535%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000407478186 (0.00193939% change) linmin: converged after 12 iterations. iteration 86: trace = 2.487937964026419 (0.00250982% change) linmin: converged after 7 iterations. iteration 87: trace = 2.487919669342228 (0.000735338% change) large trace change predicted (0.00295757%) linmin: converged after 9 iterations. iteration 88: trace = 2.487846129611174 (0.00295592% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797914847537 (0.00193803% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776324147264 (0.000867868% change) large trace change predicted (0.00215009%) linmin: converged after 10 iterations. iteration 91: trace = 2.487722850374884 (0.00214948% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710832915366 (0.000483072% change) large trace change predicted (0.00124415%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679892050236 (0.00124376% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653052696605 (0.0010789% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630523528716 (0.000905644% change) linmin: converged after 3 iterations. iteration 96: trace = 2.487599187541065 (0.00125968% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540234500335 (0.00236991% change) linmin: converged after 4 iterations. iteration 98: trace = 2.487521680053145 (0.000745898% change) linmin: converged after 3 iterations. iteration 99: trace = 2.48749369234538 (0.00112513% change) linmin: converged after 4 iterations. iteration 100: trace = 2.487462280776408 (0.00126279% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745538317346 (0.000277295% change) large trace change predicted (0.000932189%) linmin: converged after 4 iterations. iteration 102: trace = 2.487432232946961 (0.000930683% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405053164896 (0.00109269% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396826845584 (0.000330719% change) large trace change predicted (0.00148287%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359850426164 (0.00148656% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331104378208 (0.00115569% change) linmin: converged after 3 iterations. iteration 107: trace = 2.487319503966435 (0.000466381% change) large trace change predicted (0.00232124%) linmin: converged after 3 iterations. iteration 108: trace = 2.487261660731532 (0.00232555% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237139175291 (0.000985891% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206689245876 (0.00122425% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487173039153497 (0.00135294% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160582945407 (0.000500819% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141962003475 (0.000748686% change) linmin: converged after 4 iterations. iteration 114: trace = 2.48711156923264 (0.001222% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101755939142 (0.000394567% change) large trace change predicted (0.000796849%) linmin: converged after 4 iterations. iteration 116: trace = 2.48708194273615 (0.000796641% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063696706578 (0.000733635% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055332252373 (0.000336319% change) large trace change predicted (0.00104762%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029269408359 (0.00104795% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487008045615736 (0.000853383% change) linmin: converged after 6 iterations. iteration 121: trace = 2.48700017167732 (0.000316603% change) large trace change predicted (0.000982653%) linmin: converged after 3 iterations. iteration 122: trace = 2.486975733197829 (0.000982654% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952916262832 (0.000917461% change) linmin: converged after 2 iterations. iteration 124: trace = 2.48694005832716 (0.000517017% change) large trace change predicted (0.00230729%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730276597 (0.00230519% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843517538343 (0.0015768% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783802235894 (0.00240128% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698778470992 (0.00341908% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661370526541 (0.00150433% change) linmin: converged after 4 iterations. iteration 130: trace = 2.486623166420387 (0.00153637% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591360895059 (0.00127907% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581571046237 (0.000393706% change) large trace change predicted (0.000967222%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557511365659 (0.000967585% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535889996014 (0.000869534% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525791526607 (0.000406127% change) large trace change predicted (0.0013309%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492674495266 (0.00133187% change) linmin: converged after 3 iterations. iteration 137: trace = 2.486468592737199 (0.000968508% change) linmin: converged after 8 iterations. iteration 138: trace = 2.486461349200129 (0.000291319% change) large trace change predicted (0.000628824%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445714945586 (0.000628777% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.486440364077793 (0.000215202% change) linmin: converged after 3 iterations. iteration 141: trace = 2.48643689442398 (0.000139543% change) large trace change predicted (0.000493667%) linmin: converged after 5 iterations. iteration 142: trace = 2.486424630862111 (0.00049322% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421645138631 (0.000120081% change) large trace change predicted (0.00052143%) linmin: converged after 9 iterations. iteration 144: trace = 2.48640869659411 (0.000520772% change) linmin: converged after 4 iterations. iteration 145: trace = 2.486392039075713 (0.000669945% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387568137675 (0.000179816% change) large trace change predicted (0.000453974%) linmin: converged after 4 iterations. iteration 147: trace = 2.486376278695008 (0.000454051% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363701246483 (0.000505856% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359977647575 (0.000149761% change) large trace change predicted (0.000896594%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337671144955 (0.000897159% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322945990872 (0.000592244% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310311991143 (0.000508141% change) linmin: converged after 3 iterations. iteration 153: trace = 2.48628834262749 (0.000883617% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270777770409 (0.000706472% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265100022484 (0.000228364% change) large trace change predicted (0.000475066%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253277978252 (0.000475495% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244584253122 (0.000349672% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241802712577 (0.000111877% change) large trace change predicted (0.000398101%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901505214 (0.000398241% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229510742024 (9.61602e-05% change) large trace change predicted (0.000223303%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223958656125 (0.000223314% change) linmin: converged after 5 iterations. iteration 162: trace = 2.486219153101501 (0.000193287% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216749691723 (9.66693e-05% change) large trace change predicted (0.00028739%) linmin: converged after 4 iterations. iteration 164: trace = 2.486209611799701 (0.000287099% change) linmin: converged after 4 iterations. iteration 165: trace = 2.486198939073596 (0.000429278% change) linmin: converged after 4 iterations. iteration 166: trace = 2.486196075316957 (0.000115186% change) large trace change predicted (0.000263943%) linmin: converged after 3 iterations. iteration 167: trace = 2.486189515898882 (0.000263834% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181677693373 (0.00031527% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178980746995 (0.000108478% change) large trace change predicted (0.000243339%) linmin: converged after 3 iterations. iteration 170: trace = 2.486172932037342 (0.000243294% change) linmin: converged after 6 iterations. iteration 171: trace = 2.486164268379485 (0.000348474% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160749798842 (0.000141527% change) large trace change predicted (0.000307656%) linmin: converged after 4 iterations. iteration 173: trace = 2.48615310281474 (0.000307583% change) linmin: converged after 13 iterations. iteration 174: trace = 2.486145978824816 (0.000286547% change) linmin: converged after 4 iterations. iteration 175: trace = 2.486143489981627 (0.000100109% change) large trace change predicted (0.000285133%) linmin: converged after 5 iterations. iteration 176: trace = 2.486136403667667 (0.000285033% change) linmin: converged after 3 iterations. iteration 177: trace = 2.486131847476408 (0.000183264% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129089392494 (0.000110939% change) linmin: converged after 4 iterations. iteration 179: trace = 2.486124817015899 (0.000171849% change) linmin: converged after 3 iterations. iteration 180: trace = 2.48612236315362 (9.87023e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119062160494 (0.000132777% change) large trace change predicted (0.000341427%) linmin: converged after 4 iterations. iteration 182: trace = 2.4861105797808 (0.00034119% change) linmin: converged after 7 iterations. iteration 183: trace = 2.486106060532093 (0.00018178% change) linmin: converged after 5 iterations. iteration 184: trace = 2.486103655763718 (9.67284e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099626625522 (0.000162067% change) linmin: converged after 7 iterations. iteration 186: trace = 2.486095981949239 (0.000146602% change) linmin: converged after 4 iterations. iteration 187: trace = 2.486093698477957 (9.18497e-05% change) large trace change predicted (0.000189809%) linmin: converged after 3 iterations. iteration 188: trace = 2.486088979475488 (0.000189816% change) linmin: converged after 4 iterations. iteration 189: trace = 2.48608690303075 (8.35226e-05% change) large trace change predicted (0.000213472%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081594103196 (0.000213546% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075453278893 (0.000247008% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072831976526 (0.000105439% change) linmin: converged after 3 iterations. iteration 193: trace = 2.4860679699097 (0.000195572% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062912554137 (0.000203428% change) linmin: converged after 4 iterations. iteration 195: trace = 2.486061531735453 (5.55424e-05% change) large trace change predicted (0.000142%) linmin: converged after 4 iterations. iteration 196: trace = 2.486057999578007 (0.000142079% change) linmin: converged after 5 iterations. iteration 197: trace = 2.486054808772496 (0.000128348% change) linmin: converged after 3 iterations. iteration 198: trace = 2.48605378060835 (4.13573e-05% change) large trace change predicted (9.41783e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051438129305 (9.42248e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.486048715755478 (0.000109506% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047264557858 (5.83737e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045469216303 (7.22167e-05% change) large trace change predicted (0.000221725%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039953169782 (0.000221881% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486039052344386 (3.62354e-05% change) large trace change predicted (0.000205339%) linmin: converged after 5 iterations. iteration 205: trace = 2.48603394525744 (0.000205431% change) linmin: converged after 4 iterations. iteration 206: trace = 2.486031440356014 (0.000100759% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030262167184 (4.73924e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.486028013530505 (9.04509e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486025018789553 (0.000120463% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.486023490495198 (6.14754e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.48602166290103 (7.35148e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486020612198732 (4.22644e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 2.486018869972251 (7.0081e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.48601666176142 (8.88252e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.48601553870887 (4.51748e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.486013568363215 (7.92572e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.486011370528944 (8.8408e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.486010571011795 (3.21606e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.486009406007689 (4.68624e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.486007496049898 (7.68283e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486007097673618 (1.60247e-05% change) large trace change predicted (9.33328e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.486004778739243 (9.32795e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486003289766493 (5.98942e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486002283893566 (4.04615e-05% change) large trace change predicted (8.70104e-05%) linmin: converged after 5 iterations. iteration 225: trace = 2.486000121159814 (8.69965e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.485997425034041 (0.000108452% change) linmin: converged after 9 iterations. iteration 227: trace = 2.485996163125309 (5.07607e-05% change) large trace change predicted (0.000151638%) linmin: converged after 3 iterations. iteration 228: trace = 2.485992393875975 (0.000151619% change) linmin: converged after 4 iterations. iteration 229: trace = 2.485989733002224 (0.000107035% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485988693714676 (4.18058e-05% change) large trace change predicted (0.000117502%) linmin: converged after 4 iterations. iteration 231: trace = 2.485985772719453 (0.000117498% change) linmin: converged after 3 iterations. iteration 232: trace = 2.485984443995183 (5.34486e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.485982851734076 (6.40495e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.485980885310167 (7.91005e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485979858206526 (4.13158e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.485978209871819 (6.63053e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.48597582834629 (9.57984e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.485974912326365 (3.68475e-05% change) large trace change predicted (8.70141e-05%) linmin: converged after 4 iterations. iteration 239: trace = 2.485972748667882 (8.70346e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.485971492712208 (5.05217e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485970973928371 (2.08685e-05% change) large trace change predicted (5.40368e-05%) linmin: converged after 6 iterations. iteration 242: trace = 2.485969630536715 (5.40389e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.485967559831264 (8.32957e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485967078739419 (1.93523e-05% change) large trace change predicted (8.2354e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.485965031323315 (8.2359e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.485962640659584 (9.61665e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485961944036905 (2.80223e-05% change) large trace change predicted (0.000151146%) linmin: converged after 4 iterations. iteration 248: trace = 2.485958185151954 (0.000151205% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485956960222452 (4.9274e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485955150742278 (7.27881e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485953066285371 (8.38494e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485952164881962 (3.62599e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.485950800249106 (5.48938e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485948205009592 (0.000104396% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485947601448794 (2.42789e-05% change) large trace change predicted (5.97318e-05%) linmin: converged after 4 iterations. iteration 256: trace = 2.485946116174774 (5.97468e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.485944524338768 (6.40334e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485943911939749 (2.46345e-05% change) large trace change predicted (5.0313e-05%) linmin: converged after 15 iterations. iteration 259: trace = 2.485942661183049 (5.03132e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.485941103862217 (6.26451e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485940744162713 (1.44694e-05% change) large trace change predicted (8.07906e-05%) linmin: converged after 3 iterations. iteration 262: trace = 2.485938736422496 (8.07638e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.485937070192094 (6.70262e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.485936394434843 (2.71832e-05% change) large trace change predicted (7.49784e-05%) linmin: converged after 8 iterations. iteration 265: trace = 2.485934530771025 (7.49683e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.485932254701447 (9.15579e-05% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485931133415977 (4.51052e-05% change) large trace change predicted (0.000103874%) linmin: converged after 4 iterations. iteration 268: trace = 2.485928553014296 (0.0001038% change) linmin: converged after 3 iterations. iteration 269: trace = 2.485926983853744 (6.31217e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485926089404439 (3.59805e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485924390151787 (6.83549e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.485923218224088 (4.71425e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.485922138723549 (4.34245e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485920888319217 (5.02994e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.485920113174555 (3.11814e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485918807819563 (5.25099e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485917542684775 (5.08921e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.485917216708569 (1.31129e-05% change) large trace change predicted (3.23434e-05%) linmin: converged after 2 iterations. iteration 279: trace = 2.485916412678185 (3.23434e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915854614772 (2.2449e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.485915604839614 (1.00476e-05% change) large trace change predicted (3.13564e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.485914825426478 (3.13532e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.485913935720369 (3.57899e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.485913602026633 (1.34234e-05% change) large trace change predicted (4.71743e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.485912430014779 (4.71461e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.485911610531108 (3.29651e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.485911233500578 (1.51667e-05% change) large trace change predicted (3.64809e-05%) linmin: converged after 4 iterations. iteration 288: trace = 2.485910326580237 (3.64824e-05% change) linmin: converged after 4 iterations. iteration 289: trace = 2.485909660726284 (2.67851e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485908543743136 (4.49326e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.48590702865525 (6.09471e-05% change) linmin: converged after 6 iterations. iteration 292: trace = 2.485906460482644 (2.28557e-05% change) linmin: converged after 5 iterations. iteration 293: trace = 2.485905405789129 (4.24269e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485904090084648 (5.29266e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.4859038167858 (1.09939e-05% change) large trace change predicted (3.55819e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902932019473 (3.55913e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.485902210676486 (2.90173e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.485901645474348 (2.27363e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.485901281643706 (1.46358e-05% change) large trace change predicted (3.45878e-05%) linmin: converged after 3 iterations. iteration 300: trace = 2.485900421822486 (3.45879e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.485900255980168 (6.67132e-06% change) large trace change predicted (2.61477e-05%) linmin: converged after 5 iterations. iteration 302: trace = 2.485899605899899 (2.61507e-05% change) linmin: converged after 6 iterations. iteration 303: trace = 2.485898894206893 (2.86292e-05% change) linmin: converged after 4 iterations. iteration 304: trace = 2.485898680576151 (8.5937e-06% change) large trace change predicted (3.4018e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.485897834986386 (3.40155e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.485897110045423 (2.91621e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.485896884702557 (9.06485e-06% change) large trace change predicted (2.94314e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.485896153256249 (2.94238e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.485895610553827 (2.18313e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.485895372859215 (9.56173e-06% change) large trace change predicted (2.56914e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.485894734361974 (2.56848e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.485893943895731 (3.17981e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.48589372298764 (8.88647e-06% change) large trace change predicted (1.8117e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.485893272793051 (1.811e-05% change) linmin: converged after 7 iterations. iteration 315: trace = 2.485892693143444 (2.33176e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485892581999734 (4.47098e-06% change) large trace change predicted (2.28637e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.485892013736819 (2.28595e-05% change) linmin: converged after 9 iterations. iteration 318: trace = 2.485891796052413 (8.75679e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.485891534558626 (1.05191e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.485891109768906 (1.7088e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.485890687364705 (1.69921e-05% change) linmin: converged after 11 iterations. iteration 322: trace = 2.485890419178516 (1.07883e-05% change) large trace change predicted (2.48834e-05%) linmin: converged after 3 iterations. iteration 323: trace = 2.485889800734375 (2.48782e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.485889500881436 (1.20622e-05% change) linmin: converged after 5 iterations. iteration 325: trace = 2.485889304231886 (7.91063e-06% change) large trace change predicted (1.89391e-05%) linmin: converged after 3 iterations. iteration 326: trace = 2.485888833500975 (1.89361e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.485888532237391 (1.21189e-05% change) linmin: converged after 3 iterations. iteration 328: trace = 2.485888224327214 (1.23863e-05% change) large trace change predicted (2.88287e-05%) linmin: converged after 3 iterations. iteration 329: trace = 2.485887507641941 (2.88302e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.485887321590134 (7.48432e-06% change) large trace change predicted (2.62286e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.485886669509031 (2.62313e-05% change) linmin: converged after 17 iterations. iteration 332: trace = 2.485886271546526 (1.60089e-05% change) linmin: converged after 23 iterations. iteration 333: trace = 2.485886036669849 (9.44841e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.485885727686369 (1.24295e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.485885463547331 (1.06256e-05% change) linmin: converged after 5 iterations. iteration 336: trace = 2.48588538035897 (3.34643e-06% change) large trace change predicted (7.91677e-06%) linmin: converged after 3 iterations. iteration 337: trace = 2.485885183544672 (7.91727e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.485884977341013 (8.29498e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.4858849238718 (2.15091e-06% change) large trace change predicted (1.14147e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.485884640050627 (1.14173e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.485884455890573 (7.40823e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.48588431959591 (5.48274e-06% change) large trace change predicted (1.25046e-05%) linmin: converged after 3 iterations. iteration 343: trace = 2.485884008707377 (1.25062e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.485883631919509 (1.51571e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883543829701 (3.5436e-06% change) large trace change predicted (1.38635e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.485883199158217 (1.38652e-05% change) linmin: converged after 5 iterations. iteration 347: trace = 2.485883040870831 (6.36745e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.485882925940942 (4.6233e-06% change) large trace change predicted (3.41652e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.485882076662393 (3.41641e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.485881531845951 (2.19164e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.485881420376806 (4.48409e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.485881210121353 (8.45798e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881016334936 (7.79548e-06% change) linmin: converged after 23 iterations. iteration 354: trace = 2.485880937761203 (3.1608e-06% change) large trace change predicted (1.07913e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.485880669553119 (1.07893e-05% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880540272528 (5.2006e-06% change) linmin: converged after 12 iterations. iteration 357: trace = 2.485880411295024 (5.1884e-06% change) linmin: converged after 16 iterations. iteration 358: trace = 2.485880205524116 (8.27759e-06% change) linmin: converged after 5 iterations. iteration 359: trace = 2.485880077288831 (5.15855e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.485879944471353 (5.34288e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.485879801549053 (5.74936e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485879707457223 (3.78505e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.485879634528129 (2.93373e-06% change) large trace change predicted (8.03772e-06%) linmin: converged after 4 iterations. iteration 364: trace = 2.485879434740679 (8.03689e-06% change) linmin: converged after 28 iterations. iteration 365: trace = 2.485879331367719 (4.15841e-06% change) large trace change predicted (9.29068e-06%) linmin: converged after 4 iterations. iteration 366: trace = 2.485879100454452 (9.289e-06% change) linmin: converged after 5 iterations. iteration 367: trace = 2.485878837064779 (1.05954e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485878729131869 (4.34184e-06% change) large trace change predicted (1.2098e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878428408305 (1.20973e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878073758307 (1.42666e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.485877981221552 (3.7225e-06% change) large trace change predicted (1.13229e-05%) linmin: converged after 25 iterations. iteration 372: trace = 2.485877699742548 (1.13231e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.485877484507991 (8.65829e-06% change) linmin: converged after 4 iterations. iteration 374: trace = 2.485877418337438 (2.66186e-06% change) large trace change predicted (7.70211e-06%) linmin: converged after 4 iterations. iteration 375: trace = 2.485877226856576 (7.70275e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877013790351 (8.57107e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.485876955746806 (2.33493e-06% change) large trace change predicted (1.01283e-05%) linmin: converged after 4 iterations. iteration 378: trace = 2.485876703951327 (1.0129e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.485876519710565 (7.4115e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876419522392 (4.0303e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.48587629009486 (5.20652e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876114997457 (7.04369e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876067118848 (1.92603e-06% change) large trace change predicted (5.9119e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485875920162212 (5.91166e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485875699790946 (8.86493e-06% change) linmin: converged after 2 iterations. iteration 386: trace = 2.485875637547403 (2.50389e-06% change) large trace change predicted (1.44752e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.485875277674114 (1.44767e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.48587516732283 (4.43913e-06% change) large trace change predicted (1.0271e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.485874911966766 (1.02723e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874724965145 (7.52257e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874585810329 (5.59782e-06% change) linmin: converged after 2 iterations. iteration 392: trace = 2.485874475007122 (4.45731e-06% change) large trace change predicted (9.21703e-06%) linmin: converged after 5 iterations. iteration 393: trace = 2.485874245862277 (9.21788e-06% change) linmin: converged after 2 iterations. iteration 394: trace = 2.485874097138778 (5.98274e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.485874018548325 (3.16148e-06% change) large trace change predicted (9.11319e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.485873792000316 (9.11342e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873650025204 (5.71128e-06% change) linmin: converged after 2 iterations. iteration 398: trace = 2.485873575026428 (3.017e-06% change) large trace change predicted (6.83041e-06%) linmin: converged after 3 iterations. iteration 399: trace = 2.485873405232691 (6.83035e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.485873334427557 (2.8483e-06% change) linmin: converged after 8 iterations. iteration 401: trace = 2.485873226746033 (4.33174e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.485873102627311 (4.99296e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873013082879 (3.60213e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.485872848650845 (6.61466e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872606465885 (9.74245e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.485872500525659 (4.26169e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.485872340775921 (6.4263e-06% change) linmin: converged after 4 iterations. iteration 408: trace = 2.485872127636879 (8.57401e-06% change) linmin: converged after 27 iterations. iteration 409: trace = 2.485871977664941 (6.03297e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.48587178743392 (7.65249e-06% change) linmin: converged after 14 iterations. iteration 411: trace = 2.485871653136878 (5.40241e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871591977778 (2.46027e-06% change) large trace change predicted (5.14357e-06%) linmin: converged after 4 iterations. iteration 413: trace = 2.485871464120002 (5.14338e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871293319661 (6.87084e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.485871249562674 (1.76023e-06% change) large trace change predicted (6.72001e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.48587108249018 (6.72088e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.485870984250105 (3.95194e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485870952548725 (1.27526e-06% change) large trace change predicted (3.18047e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.485870873482373 (3.18063e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 420: trace = 2.485870826185133 (1.90264e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.485870804992696 (8.52516e-07% change) large trace change predicted (3.67275e-06%) linmin: converged after 16 iterations. iteration 422: trace = 2.485870713703668 (3.67232e-06% change) linmin: converged after 6 iterations. iteration 423: trace = 2.485870649459652 (2.58437e-06% change) linmin: converged after 26 iterations. iteration 424: trace = 2.485870579195577 (2.82654e-06% change) large trace change predicted (6.14005e-06%) linmin: converged after 3 iterations. iteration 425: trace = 2.48587042658298 (6.1392e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870387733369 (1.56282e-06% change) large trace change predicted (3.80478e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.48587029315704 (3.80456e-06% change) linmin: converged after 2 iterations. iteration 428: trace = 2.485870201672891 (3.68017e-06% change) linmin: converged after 10 iterations. iteration 429: trace = 2.485870167072535 (1.39188e-06% change) large trace change predicted (5.75033e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.485870024103886 (5.75125e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.485869898548686 (5.05075e-06% change) linmin: converged after 4 iterations. iteration 432: trace = 2.485869844610689 (2.16978e-06% change) large trace change predicted (5.09535e-06%) linmin: converged after 5 iterations. iteration 433: trace = 2.485869717931538 (5.09597e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869570860758 (5.91627e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.485869538405462 (1.30559e-06% change) large trace change predicted (5.01784e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.48586941365184 (5.01851e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.485869353111046 (2.4354e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.485869325966736 (1.09194e-06% change) large trace change predicted (2.91817e-06%) linmin: converged after 2 iterations. iteration 439: trace = 2.485869253421938 (2.91829e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.485869187405435 (2.65567e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.485869154122661 (1.33888e-06% change) large trace change predicted (3.93182e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.485869056381857 (3.93186e-06% change) linmin: converged after 7 iterations. iteration 443: trace = 2.485868990631439 (2.64497e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.485868950514359 (1.61381e-06% change) large trace change predicted (3.49854e-06%) linmin: converged after 11 iterations. iteration 445: trace = 2.48586886354771 (3.49844e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.48586877851952 (3.42046e-06% change) linmin: converged after 9 iterations. iteration 447: trace = 2.485868752222224 (1.05787e-06% change) large trace change predicted (3.20654e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.485868672520881 (3.20618e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.485868616373929 (2.25865e-06% change) linmin: converged after 7 iterations. iteration 450: trace = 2.485868588677285 (1.11416e-06% change) large trace change predicted (3.17835e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.485868509679706 (3.17787e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.48586843517151 (2.99727e-06% change) linmin: converged after 2 iterations. iteration 453: trace = 2.485868392214075 (1.72807e-06% change) linmin: converged after 20 iterations. iteration 454: trace = 2.485868313100681 (3.18253e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868274828585 (1.53959e-06% change) linmin: converged after 2 iterations. iteration 456: trace = 2.485868253101239 (8.74034e-07% change) large trace change predicted (2.03344e-06%) linmin: converged after 8 iterations. iteration 457: trace = 2.485868202554756 (2.03335e-06% change) linmin: converged after 7 iterations. iteration 458: trace = 2.485868180754217 (8.76979e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.485868151906752 (1.16046e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586810987279 (1.69092e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.485868059976598 (2.00719e-06% change) linmin: converged after 11 iterations. iteration 462: trace = 2.485868030641332 (1.18008e-06% change) large trace change predicted (3.03729e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.485867955143797 (3.03707e-06% change) linmin: converged after 7 iterations. iteration 464: trace = 2.485867933956875 (8.52295e-07% change) linmin: converged after 18 iterations. iteration 465: trace = 2.485867898022732 (1.44554e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867844866589 (2.13833e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867827753335 (6.88422e-07% change) large trace change predicted (2.05603e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.48586777664503 (2.05595e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.485867700976697 (3.04394e-06% change) linmin: converged after 6 iterations. iteration 470: trace = 2.485867681369146 (7.88761e-07% change) large trace change predicted (2.85284e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867610450966 (2.85285e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867560946671 (1.99143e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867528400795 (1.30924e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.485867502088975 (1.05846e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.485867470495856 (1.27091e-06% change) linmin: converged after 17 iterations. iteration 476: trace = 2.485867464037915 (2.59786e-07% change) large trace change predicted (8.49973e-07%) linmin: converged after 3 iterations. iteration 477: trace = 2.485867442908187 (8.49994e-07% change) linmin: converged after 5 iterations. iteration 478: trace = 2.485867424065592 (7.57989e-07% change) linmin: converged after 24 iterations. iteration 479: trace = 2.485867415467713 (3.4587e-07% change) large trace change predicted (1.17432e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.485867386273996 (1.17439e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.485867357807119 (1.14515e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867343996171 (5.55579e-07% change) linmin: converged after 2 iterations. iteration 483: trace = 2.485867316968237 (1.08726e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.48586729751084 (7.82721e-07% change) linmin: converged after 3 iterations. iteration 485: trace = 2.485867273695258 (9.58039e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.485867232206363 (1.66899e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.485867213588743 (7.48939e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867197120823 (6.62462e-07% change) large trace change predicted (3.32071e-06%) linmin: converged after 3 iterations. iteration 489: trace = 2.48586711456449 (3.32103e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.485867057641508 (2.28986e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867045958281 (4.69986e-07% change) large trace change predicted (1.18401e-06%) linmin: converged after 2 iterations. iteration 492: trace = 2.485867016525217 (1.18402e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.485866998923883 (7.08056e-07% change) linmin: converged after 6 iterations. iteration 494: trace = 2.48586698163748 (6.95387e-07% change) linmin: converged after 4 iterations. iteration 495: trace = 2.485866953304781 (1.13975e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.485866942582915 (4.31313e-07% change) linmin: converged after 12 iterations. iteration 497: trace = 2.485866926918081 (6.30156e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.4858669057752 (8.50523e-07% change) linmin: converged after 5 iterations. iteration 499: trace = 2.485866895686453 (4.05844e-07% change) linmin: converged after 10 iterations. iteration 500: trace = 2.485866878962881 (6.72746e-07% change) linmin: converged after 4 iterations. iteration 501: trace = 2.485866862334349 (6.68923e-07% change) linmin: converged after 23 iterations. iteration 502: trace = 2.485866855253454 (2.84846e-07% change) linmin: converged after 5 iterations. iteration 503: trace = 2.485866841566453 (5.50593e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.485866821485023 (8.07824e-07% change) linmin: converged after 9 iterations. iteration 505: trace = 2.485866815467968 (2.42051e-07% change) large trace change predicted (1.31005e-06%) linmin: converged after 5 iterations. iteration 506: trace = 2.485866782902573 (1.31002e-06% change) linmin: converged after 13 iterations. iteration 507: trace = 2.485866758698175 (9.7368e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866745310048 (5.3857e-07% change) large trace change predicted (1.65922e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.485866704064841 (1.65919e-06% change) linmin: converged after 10 iterations. iteration 510: trace = 2.485866675385664 (1.15369e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.485866651966378 (9.42097e-07% change) linmin: converged after 2 iterations. iteration 512: trace = 2.485866617539643 (1.3849e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.48586659685221 (8.32202e-07% change) linmin: converged after 23 iterations. iteration 514: trace = 2.485866587209584 (3.87898e-07% change) large trace change predicted (9.62888e-07%) linmin: converged after 3 iterations. iteration 515: trace = 2.485866563272827 (9.62914e-07% change) linmin: converged after 2 iterations. iteration 516: trace = 2.485866544787994 (7.43597e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.485866532302611 (5.02255e-07% change) large trace change predicted (1.12845e-06%) linmin: converged after 19 iterations. iteration 518: trace = 2.485866504250144 (1.12848e-06% change) linmin: converged after 7 iterations. iteration 519: trace = 2.485866482402194 (8.78887e-07% change) linmin: converged after 7 iterations. iteration 520: trace = 2.485866470636628 (4.73298e-07% change) linmin: converged after 18 iterations. iteration 521: trace = 2.485866457128474 (5.43398e-07% change) linmin: converged after 2 iterations. iteration 522: trace = 2.485866434636247 (9.04804e-07% change) linmin: converged after 16 iterations. iteration 523: trace = 2.485866429450478 (2.0861e-07% change) large trace change predicted (7.45031e-07%) linmin: converged after 4 iterations. iteration 524: trace = 2.485866410930361 (7.45017e-07% change) linmin: converged after 6 iterations. iteration 525: trace = 2.485866386554031 (9.80597e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.485866379448863 (2.85823e-07% change) large trace change predicted (1.33751e-06%) linmin: converged after 3 iterations. iteration 527: trace = 2.485866346199174 (1.33755e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.485866325278606 (8.41581e-07% change) linmin: converged after 16 iterations. iteration 529: trace = 2.485866308319103 (6.82237e-07% change) linmin: converged after 26 iterations. iteration 530: trace = 2.485866286243084 (8.88061e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.48586627228336 (5.61564e-07% change) linmin: converged after 3 iterations. iteration 532: trace = 2.485866254795329 (7.03498e-07% change) linmin: converged after 2 iterations. iteration 533: trace = 2.485866225060005 (1.19618e-06% change) linmin: converged after 4 iterations. iteration 534: trace = 2.485866219383023 (2.2837e-07% change) large trace change predicted (8.98148e-07%) linmin: converged after 5 iterations. iteration 535: trace = 2.485866197055422 (8.98182e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.485866174206045 (9.19172e-07% change) linmin: converged after 4 iterations. iteration 537: trace = 2.485866165051766 (3.68253e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866146926398 (7.29137e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.485866128585155 (7.37821e-07% change) linmin: converged after 2 iterations. iteration 540: trace = 2.485866122226289 (2.55801e-07% change) large trace change predicted (5.71085e-07%) linmin: converged after 8 iterations. iteration 541: trace = 2.485866108030621 (5.71055e-07% change) linmin: converged after 18 iterations. iteration 542: trace = 2.485866092245941 (6.34977e-07% change) linmin: converged after 4 iterations. iteration 543: trace = 2.48586607536496 (6.79078e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.485866067343571 (3.2268e-07% change) large trace change predicted (1.28422e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.485866035423817 (1.28405e-06% change) linmin: converged after 8 iterations. iteration 546: trace = 2.485866028410034 (2.82146e-07% change) large trace change predicted (7.52651e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485866009701284 (7.52605e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.485865979770214 (1.20405e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.485865972807352 (2.80098e-07% change) large trace change predicted (9.17409e-07%) linmin: converged after 9 iterations. iteration 550: trace = 2.485865950002962 (9.17362e-07% change) linmin: converged after 13 iterations. iteration 551: trace = 2.485865934630411 (6.18398e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.485865925309786 (3.74945e-07% change) linmin: converged after 3 iterations. iteration 553: trace = 2.485865913881186 (4.59743e-07% change) linmin: converged after 7 iterations. iteration 554: trace = 2.485865893445994 (8.22055e-07% change) linmin: converged after 16 iterations. iteration 555: trace = 2.48586588884364 (1.85141e-07% change) large trace change predicted (6.37125e-07%) linmin: converged after 8 iterations. iteration 556: trace = 2.485865873004923 (6.37151e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.485865861804665 (4.50558e-07% change) linmin: converged after 13 iterations. iteration 558: trace = 2.485865858472451 (1.34046e-07% change) large trace change predicted (3.23355e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.485865850434236 (3.23357e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.485865844733147 (2.2934e-07% change) linmin: converged after 2 iterations. iteration 561: trace = 2.485865842155373 (1.03697e-07% change) large trace change predicted (4.06423e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.485865832052445 (4.06415e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.485865820573998 (4.61748e-07% change) linmin: converged after 10 iterations. iteration 564: trace = 2.485865816588163 (1.6034e-07% change) large trace change predicted (6.88603e-07%) linmin: converged after 3 iterations. iteration 565: trace = 2.485865799471213 (6.88571e-07% change) linmin: converged after 4 iterations. iteration 566: trace = 2.485865790408108 (3.64585e-07% change) linmin: converged after 12 iterations. iteration 567: trace = 2.485865783371182 (2.83077e-07% change) linmin: converged after 6 iterations. iteration 568: trace = 2.485865772529407 (4.36137e-07% change) linmin: converged after 3 iterations. iteration 569: trace = 2.485865761566611 (4.41005e-07% change) linmin: converged after 15 iterations. iteration 570: trace = 2.485865756451572 (2.05765e-07% change) large trace change predicted (8.11517e-07%) linmin: converged after 17 iterations. iteration 571: trace = 2.485865736277328 (8.11558e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865726603568 (3.89151e-07% change) linmin: converged after 17 iterations. iteration 573: trace = 2.485865719003215 (3.05743e-07% change) large trace change predicted (6.89724e-07%) linmin: converged after 6 iterations. iteration 574: trace = 2.485865701856612 (6.89764e-07% change) linmin: converged after 3 iterations. iteration 575: trace = 2.48586569682056 (2.02587e-07% change) large trace change predicted (4.2037e-07%) linmin: converged after 30 iterations. iteration 576: trace = 2.48586568637046 (4.20381e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865676963987 (3.78398e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.485865669449849 (3.02274e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.485865666637312 (1.13141e-07% change) large trace change predicted (4.02875e-07%) linmin: converged after 2 iterations. iteration 580: trace = 2.485865656622382 (4.02875e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.485865649578717 (2.83349e-07% change) linmin: converged after 3 iterations. iteration 582: trace = 2.485865643796943 (2.32586e-07% change) linmin: converged after 4 iterations. iteration 583: trace = 2.485865634275493 (3.83024e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865629936387 (1.74551e-07% change) linmin: converged after 5 iterations. iteration 585: trace = 2.485865621585913 (3.35918e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.485865612131176 (3.8034e-07% change) linmin: converged after 19 iterations. iteration 587: trace = 2.485865607162968 (1.99858e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.485865600321092 (2.75231e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.485865592565611 (3.11983e-07% change) linmin: converged after 4 iterations. iteration 590: trace = 2.485865582337389 (4.11455e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.485865579894424 (9.82742e-08% change) large trace change predicted (4.71046e-07%) linmin: converged after 4 iterations. iteration 592: trace = 2.485865568185215 (4.71031e-07% change) linmin: converged after 4 iterations. iteration 593: trace = 2.485865561376026 (2.73916e-07% change) linmin: converged after 10 iterations. iteration 594: trace = 2.485865557644762 (1.50099e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865551599242 (2.43196e-07% change) linmin: converged after 10 iterations. iteration 596: trace = 2.485865547584703 (1.61495e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865545003239 (1.03846e-07% change) large trace change predicted (2.22066e-07%) linmin: converged after 11 iterations. iteration 598: trace = 2.485865539483061 (2.22063e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.485865537475806 (8.07468e-08% change) linmin: converged after 10 iterations. iteration 600: trace = 2.48586553400883 (1.39468e-07% change) large trace change predicted (3.1433e-07%) linmin: converged after 29 iterations. iteration 601: trace = 2.485865526195186 (3.14323e-07% change) linmin: converged after 6 iterations. iteration 602: trace = 2.485865524444503 (7.04255e-08% change) large trace change predicted (3.51691e-07%) linmin: converged after 29 iterations. iteration 603: trace = 2.4858655157022 (3.5168e-07% change) linmin: converged after 3 iterations. iteration 604: trace = 2.485865512036334 (1.47468e-07% change) linmin: converged after 3 iterations. iteration 605: trace = 2.485865509036929 (1.20658e-07% change) large trace change predicted (2.49265e-07%) linmin: converged after 4 iterations. iteration 606: trace = 2.485865502840596 (2.49263e-07% change) linmin: converged after 4 iterations. iteration 607: trace = 2.485865496739603 (2.45427e-07% change) linmin: converged after 3 iterations. iteration 608: trace = 2.485865493544551 (1.28529e-07% change) large trace change predicted (3.03295e-07%) linmin: converged after 2 iterations. iteration 609: trace = 2.485865486005023 (3.03296e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.485865478281951 (3.10679e-07% change) linmin: converged after 9 iterations. iteration 611: trace = 2.485865475093133 (1.28278e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.485865470269514 (1.94042e-07% change) linmin: converged after 3 iterations. iteration 613: trace = 2.485865464656645 (2.25791e-07% change) linmin: converged after 6 iterations. iteration 614: trace = 2.485865463457966 (4.82198e-08% change) large trace change predicted (1.26418e-07%) linmin: converged after 3 iterations. iteration 615: trace = 2.485865460315384 (1.26418e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865457854387 (9.89996e-08% change) linmin: converged after 10 iterations. iteration 617: trace = 2.485865457051189 (3.23106e-08% change) large trace change predicted (8.13637e-08%) linmin: converged after 6 iterations. iteration 618: trace = 2.485865455028589 (8.1364e-08% change) large trace change predicted (1.66334e-07%) linmin: converged after 6 iterations. iteration 619: trace = 2.48586545089363 (1.66339e-07% change) linmin: converged after 7 iterations. iteration 620: trace = 2.485865449391608 (6.04225e-08% change) large trace change predicted (1.2434e-07%) linmin: converged after 3 iterations. iteration 621: trace = 2.485865446300608 (1.24343e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.485865443530234 (1.11445e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865442437396 (4.3962e-08% change) large trace change predicted (1.5659e-07%) linmin: converged after 9 iterations. iteration 624: trace = 2.485865438544738 (1.56592e-07% change) linmin: converged after 5 iterations. iteration 625: trace = 2.485865434233767 (1.73419e-07% change) linmin: converged after 3 iterations. iteration 626: trace = 2.485865432921712 (5.27806e-08% change) large trace change predicted (1.31241e-07%) linmin: converged after 4 iterations. iteration 627: trace = 2.485865429659247 (1.31241e-07% change) linmin: converged after 10 iterations. iteration 628: trace = 2.485865424074237 (2.24671e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.4858654189613 (2.0568e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 630: trace = 2.485865414673208 (1.72499e-07% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865410031079 (1.86741e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.485865407406708 (1.05572e-07% change) linmin: converged after 2 iterations. iteration 633: trace = 2.485865406361928 (4.20288e-08% change) large trace change predicted (1.56999e-07%) linmin: converged after 10 iterations. iteration 634: trace = 2.48586540245919 (1.56997e-07% change) linmin: converged after 6 iterations. iteration 635: trace = 2.48586540108244 (5.53831e-08% change) linmin: converged after 4 iterations. iteration 636: trace = 2.485865398698173 (9.5913e-08% change) linmin: converged after 10 iterations. iteration 637: trace = 2.485865396559737 (8.60238e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865395319194 (4.99039e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.485865393100004 (8.92723e-08% change) linmin: converged after 6 iterations. iteration 640: trace = 2.485865391050644 (8.24405e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865390159427 (3.58514e-08% change) large trace change predicted (7.74287e-08%) linmin: converged after 8 iterations. iteration 642: trace = 2.485865388234679 (7.74277e-08% change) linmin: converged after 4 iterations. iteration 643: trace = 2.485865386666726 (6.30747e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865385934395 (2.94598e-08% change) large trace change predicted (8.40095e-08%) linmin: converged after 13 iterations. iteration 645: trace = 2.485865383846058 (8.40084e-08% change) linmin: converged after 10 iterations. iteration 646: trace = 2.485865380374393 (1.39656e-07% change) linmin: converged after 3 iterations. iteration 647: trace = 2.48586537917629 (4.81966e-08% change) large trace change predicted (1.63278e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.48586537511743 (1.63278e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865371056728 (1.63352e-07% change) linmin: converged after 5 iterations. iteration 650: trace = 2.485865369229074 (7.35218e-08% change) large trace change predicted (1.70757e-07%) linmin: converged after 4 iterations. iteration 651: trace = 2.485865364984301 (1.70756e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.48586536070935 (1.7197e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.485865359806858 (3.63049e-08% change) large trace change predicted (9.38812e-08%) linmin: converged after 3 iterations. iteration 654: trace = 2.485865357473095 (9.38813e-08% change) linmin: converged after 7 iterations. iteration 655: trace = 2.485865354642338 (1.13874e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865353927379 (2.8761e-08% change) large trace change predicted (1.40748e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.485865350428529 (1.4075e-07% change) linmin: converged after 12 iterations. iteration 658: trace = 2.485865347466102 (1.19171e-07% change) linmin: converged after 16 iterations. iteration 659: trace = 2.485865346417917 (4.21658e-08% change) large trace change predicted (9.11613e-08%) linmin: converged after 4 iterations. iteration 660: trace = 2.485865344151758 (9.11618e-08% change) linmin: converged after 2 iterations. iteration 661: trace = 2.485865342060137 (8.41406e-08% change) linmin: converged after 9 iterations. iteration 662: trace = 2.485865341421666 (2.56841e-08% change) large trace change predicted (8.67118e-08%) linmin: converged after 4 iterations. iteration 663: trace = 2.485865339266117 (8.67122e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865336522592 (1.10365e-07% change) linmin: converged after 3 iterations. iteration 665: trace = 2.485865335180294 (5.39972e-08% change) linmin: converged after 5 iterations. iteration 666: trace = 2.485865332796258 (9.59037e-08% change) linmin: converged after 13 iterations. iteration 667: trace = 2.485865329674657 (1.25574e-07% change) linmin: converged after 6 iterations. iteration 668: trace = 2.485865328824774 (3.41886e-08% change) large trace change predicted (1.80662e-07%) linmin: converged after 4 iterations. iteration 669: trace = 2.485865324333723 (1.80663e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.485865321742925 (1.04221e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865320592151 (4.62927e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.48586531844413 (8.64094e-08% change) linmin: converged after 4 iterations. iteration 673: trace = 2.48586531527262 (1.27582e-07% change) linmin: converged after 18 iterations. iteration 674: trace = 2.485865314729993 (2.18285e-08% change) large trace change predicted (1.36886e-07%) linmin: converged after 5 iterations. iteration 675: trace = 2.485865311327138 (1.36888e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.485865309542765 (7.17808e-08% change) linmin: converged after 19 iterations. iteration 677: trace = 2.485865308831797 (2.86004e-08% change) large trace change predicted (1.20553e-07%) linmin: converged after 5 iterations. iteration 678: trace = 2.485865305835011 (1.20553e-07% change) linmin: converged after 8 iterations. iteration 679: trace = 2.485865303591792 (9.0239e-08% change) linmin: converged after 6 iterations. iteration 680: trace = 2.485865302919009 (2.70643e-08% change) large trace change predicted (6.50814e-08%) linmin: converged after 11 iterations. iteration 681: trace = 2.485865301301208 (6.508e-08% change) linmin: converged after 7 iterations. iteration 682: trace = 2.485865299454421 (7.42915e-08% change) linmin: converged after 5 iterations. iteration 683: trace = 2.485865298778789 (2.71789e-08% change) large trace change predicted (9.57574e-08%) linmin: converged after 7 iterations. iteration 684: trace = 2.485865296398433 (9.57556e-08% change) linmin: converged after 4 iterations. iteration 685: trace = 2.485865294618838 (7.15885e-08% change) linmin: converged after 6 iterations. iteration 686: trace = 2.485865292437984 (8.77302e-08% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865289262637 (1.27736e-07% change) linmin: converged after 22 iterations. iteration 688: trace = 2.485865287396805 (7.50576e-08% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865285632241 (7.09839e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865283336916 (9.23351e-08% change) linmin: converged after 4 iterations. iteration 691: trace = 2.485865281778118 (6.27064e-08% change) linmin: converged after 4 iterations. iteration 692: trace = 2.485865280724808 (4.2372e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.485865279314348 (5.67392e-08% change) linmin: converged after 24 iterations. iteration 694: trace = 2.485865277591477 (6.93067e-08% change) linmin: converged after 4 iterations. iteration 695: trace = 2.485865276676544 (3.68054e-08% change) large trace change predicted (8.90046e-08%) linmin: converged after 3 iterations. iteration 696: trace = 2.485865274463961 (8.90065e-08% change) linmin: converged after 4 iterations. iteration 697: trace = 2.485865273159759 (5.24647e-08% change) linmin: converged after 13 iterations. iteration 698: trace = 2.485865272743319 (1.67523e-08% change) linmin: converged after 5 iterations. iteration 699: trace = 2.485865272023116 (2.89719e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865271415558 (2.44405e-08% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865271117603 (1.1986e-08% change) large trace change predicted (5.14264e-08%) linmin: converged after 4 iterations. iteration 702: trace = 2.485865269839217 (5.14262e-08% change) linmin: converged after 39 iterations. iteration 703: trace = 2.485865268744354 (4.40435e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.485865267852897 (3.5861e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.485865266289203 (6.29034e-08% change) linmin: converged after 31 iterations. iteration 706: trace = 2.485865265494137 (3.19835e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865264658684 (3.36082e-08% change) large trace change predicted (7.3697e-08%) linmin: converged after 4 iterations. iteration 708: trace = 2.485865262826664 (7.36975e-08% change) linmin: converged after 11 iterations. iteration 709: trace = 2.485865262458677 (1.48032e-08% change) large trace change predicted (6.33553e-08%) linmin: converged after 4 iterations. iteration 710: trace = 2.485865260883734 (6.33559e-08% change) linmin: converged after 5 iterations. iteration 711: trace = 2.48586525897413 (7.68185e-08% change) linmin: converged after 4 iterations. iteration 712: trace = 2.48586525712356 (7.44437e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865256513271 (2.45504e-08% change) large trace change predicted (7.99782e-08%) linmin: converged after 12 iterations. iteration 714: trace = 2.485865254525071 (7.99802e-08% change) linmin: converged after 24 iterations. iteration 715: trace = 2.485865253806515 (2.89057e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.485865252938782 (3.49067e-08% change) linmin: converged after 3 iterations. iteration 717: trace = 2.485865251860567 (4.33738e-08% change) linmin: converged after 2 iterations. iteration 718: trace = 2.485865251188401 (2.70395e-08% change) linmin: converged after 5 iterations. iteration 719: trace = 2.485865250555583 (2.54566e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865249319797 (4.97125e-08% change) linmin: converged after 26 iterations. iteration 721: trace = 2.48586524848038 (3.37676e-08% change) linmin: converged after 3 iterations. iteration 722: trace = 2.485865248003488 (1.91842e-08% change) large trace change predicted (4.66138e-08%) linmin: converged after 24 iterations. iteration 723: trace = 2.485865246844736 (4.66136e-08% change) linmin: converged after 4 iterations. iteration 724: trace = 2.48586524597349 (3.5048e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865245063576 (3.66035e-08% change) linmin: converged after 3 iterations. iteration 726: trace = 2.485865244054649 (4.05865e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.485865243725575 (1.32378e-08% change) large trace change predicted (3.13246e-08%) linmin: converged after 6 iterations. iteration 728: trace = 2.485865242946899 (3.13242e-08% change) linmin: converged after 10 iterations. iteration 729: trace = 2.485865241719817 (4.93623e-08% change) linmin: converged after 6 iterations. iteration 730: trace = 2.485865240670502 (4.22113e-08% change) linmin: converged after 3 iterations. iteration 731: trace = 2.485865240223687 (1.79742e-08% change) large trace change predicted (3.89778e-08%) linmin: converged after 5 iterations. iteration 732: trace = 2.485865239254756 (3.89776e-08% change) linmin: converged after 5 iterations. iteration 733: trace = 2.485865238307129 (3.81206e-08% change) linmin: converged after 4 iterations. iteration 734: trace = 2.485865237943885 (1.46124e-08% change) large trace change predicted (3.65838e-08%) linmin: converged after 26 iterations. iteration 735: trace = 2.485865237034468 (3.65835e-08% change) linmin: converged after 24 iterations. iteration 736: trace = 2.485865236627105 (1.63872e-08% change) linmin: converged after 16 iterations. iteration 737: trace = 2.485865236250152 (1.51639e-08% change) linmin: converged after 4 iterations. iteration 738: trace = 2.485865235607335 (2.58589e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865235096384 (2.05543e-08% change) linmin: converged after 6 iterations. iteration 740: trace = 2.485865234862481 (9.40931e-09% change) large trace change predicted (3.93846e-08%) linmin: converged after 4 iterations. iteration 741: trace = 2.485865233883437 (3.93845e-08% change) linmin: converged after 4 iterations. iteration 742: trace = 2.485865233228887 (2.63308e-08% change) linmin: converged after 8 iterations. iteration 743: trace = 2.485865232804265 (1.70815e-08% change) linmin: converged after 6 iterations. iteration 744: trace = 2.485865232250929 (2.22593e-08% change) linmin: converged after 3 iterations. iteration 745: trace = 2.485865231732347 (2.08612e-08% change) linmin: converged after 4 iterations. iteration 746: trace = 2.485865231288686 (1.78473e-08% change) large trace change predicted (3.58944e-08%) linmin: converged after 9 iterations. iteration 747: trace = 2.485865230396402 (3.58943e-08% change) linmin: converged after 4 iterations. iteration 748: trace = 2.485865229966914 (1.72772e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.485865229389344 (2.32342e-08% change) linmin: converged after 34 iterations. iteration 750: trace = 2.485865228489613 (3.61939e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.485865228039602 (1.81028e-08% change) linmin: converged after 3 iterations. iteration 752: trace = 2.485865227351344 (2.76869e-08% change) linmin: converged after 10 iterations. iteration 753: trace = 2.485865226803621 (2.20335e-08% change) linmin: converged after 20 iterations. iteration 754: trace = 2.485865226590944 (8.55543e-09% change) linmin: converged after 5 iterations. iteration 755: trace = 2.485865226384067 (8.32212e-09% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226057106 (1.31528e-08% change) linmin: converged after 6 iterations. iteration 757: trace = 2.485865225762772 (1.18403e-08% change) linmin: converged after 4 iterations. iteration 758: trace = 2.485865225642683 (4.83087e-09% change) large trace change predicted (1.46655e-08%) linmin: converged after 4 iterations. iteration 759: trace = 2.485865225278115 (1.46657e-08% change) linmin: converged after 12 iterations. iteration 760: trace = 2.485865224985111 (1.17868e-08% change) linmin: converged after 26 iterations. iteration 761: trace = 2.485865224863446 (4.89425e-09% change) large trace change predicted (1.99094e-08%) linmin: converged after 4 iterations. iteration 762: trace = 2.48586522436852 (1.99096e-08% change) linmin: converged after 2 iterations. iteration 763: trace = 2.485865223949761 (1.68456e-08% change) linmin: converged after 7 iterations. iteration 764: trace = 2.485865223741473 (8.37888e-09% change) large trace change predicted (2.27835e-08%) linmin: converged after 2 iterations. iteration 765: trace = 2.485865223175105 (2.27835e-08% change) linmin: converged after 3 iterations. iteration 766: trace = 2.48586522293947 (9.479e-09% change) linmin: converged after 3 iterations. iteration 767: trace = 2.485865222696591 (9.77039e-09% change) large trace change predicted (2.52911e-08%) linmin: converged after 27 iterations. iteration 768: trace = 2.485865222067885 (2.52912e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.485865221437768 (2.5348e-08% change) resetting CG direction... linmin: converged after 22 iterations. iteration 770: trace = 2.485865220865312 (2.30284e-08% change) linmin: converged after 12 iterations. iteration 771: trace = 2.485865220310167 (2.23321e-08% change) linmin: converged after 5 iterations. iteration 772: trace = 2.485865220107325 (8.1598e-09% change) linmin: converged after 3 iterations. iteration 773: trace = 2.485865219903554 (8.1972e-09% change) large trace change predicted (1.74089e-08%) linmin: converged after 4 iterations. iteration 774: trace = 2.485865219470791 (1.74089e-08% change) linmin: converged after 3 iterations. iteration 775: trace = 2.485865219288953 (7.3149e-09% change) linmin: converged after 4 iterations. iteration 776: trace = 2.485865219062259 (9.11933e-09% change) linmin: converged after 7 iterations. iteration 777: trace = 2.485865218810099 (1.01437e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.485865218608225 (8.12088e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865218348002 (1.04681e-08% change) linmin: converged after 8 iterations. iteration 780: trace = 2.485865218041855 (1.23155e-08% change) linmin: converged after 20 iterations. iteration 781: trace = 2.485865217959228 (3.32385e-09% change) large trace change predicted (9.75258e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.485865217716791 (9.75265e-09% change) linmin: converged after 7 iterations. iteration 783: trace = 2.4858652175314 (7.4578e-09% change) linmin: converged after 20 iterations. iteration 784: trace = 2.485865217452788 (3.16237e-09% change) large trace change predicted (1.04855e-08%) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217192133 (1.04855e-08% change) linmin: converged after 19 iterations. iteration 786: trace = 2.485865216834291 (1.4395e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.485865216734612 (4.00986e-09% change) large trace change predicted (2.1219e-08%) linmin: converged after 4 iterations. iteration 788: trace = 2.485865216207141 (2.12188e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.485865215795744 (1.65494e-08% change) linmin: converged after 2 iterations. iteration 790: trace = 2.485865215593066 (8.15323e-09% change) large trace change predicted (2.28273e-08%) linmin: converged after 31 iterations. iteration 791: trace = 2.485865215025612 (2.28272e-08% change) linmin: converged after 4 iterations. iteration 792: trace = 2.485865214614533 (1.65366e-08% change) linmin: converged after 5 iterations. iteration 793: trace = 2.485865214494209 (4.84032e-09% change) large trace change predicted (1.01532e-08%) linmin: converged after 13 iterations. iteration 794: trace = 2.485865214241815 (1.01532e-08% change) linmin: converged after 6 iterations. iteration 795: trace = 2.485865213852176 (1.56742e-08% change) linmin: converged after 18 iterations. iteration 796: trace = 2.485865213720877 (5.28184e-09% change) large trace change predicted (1.39191e-08%) linmin: converged after 7 iterations. iteration 797: trace = 2.485865213374864 (1.39192e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.485865212945815 (1.72595e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.48586521266099 (1.14578e-08% change) linmin: converged after 13 iterations. iteration 800: trace = 2.485865212567412 (3.7644e-09% change) large trace change predicted (1.12588e-08%) linmin: converged after 4 iterations. iteration 801: trace = 2.485865212287532 (1.12588e-08% change) linmin: converged after 18 iterations. iteration 802: trace = 2.485865212026706 (1.04924e-08% change) linmin: converged after 5 iterations. iteration 803: trace = 2.485865211904198 (4.92819e-09% change) linmin: converged after 2 iterations. iteration 804: trace = 2.485865211667466 (9.52312e-09% change) linmin: converged after 4 iterations. iteration 805: trace = 2.485865211201899 (1.87286e-08% change) linmin: converged after 16 iterations. iteration 806: trace = 2.485865211081857 (4.82897e-09% change) large trace change predicted (1.51917e-08%) linmin: converged after 9 iterations. iteration 807: trace = 2.485865210704213 (1.51917e-08% change) linmin: converged after 12 iterations. iteration 808: trace = 2.485865210293881 (1.65066e-08% change) linmin: converged after 4 iterations. iteration 809: trace = 2.485865210138886 (6.23504e-09% change) large trace change predicted (1.39669e-08%) linmin: converged after 2 iterations. iteration 810: trace = 2.485865209791687 (1.39669e-08% change) linmin: converged after 22 iterations. iteration 811: trace = 2.485865209588846 (8.15979e-09% change) linmin: converged after 4 iterations. iteration 812: trace = 2.48586520947013 (4.77565e-09% change) large trace change predicted (1.35224e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.485865209133982 (1.35224e-08% change) linmin: converged after 38 iterations. iteration 814: trace = 2.485865208976297 (6.34326e-09% change) linmin: converged after 24 iterations. iteration 815: trace = 2.485865208786199 (7.64718e-09% change) linmin: converged after 3 iterations. iteration 816: trace = 2.485865208499631 (1.15279e-08% change) linmin: converged after 3 iterations. iteration 817: trace = 2.485865208337084 (6.53884e-09% change) linmin: converged after 8 iterations. iteration 818: trace = 2.48586520806555 (1.09231e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.485865207759708 (1.23032e-08% change) linmin: converged after 18 iterations. iteration 820: trace = 2.485865207673526 (3.46689e-09% change) large trace change predicted (9.07615e-09%) linmin: converged after 12 iterations. iteration 821: trace = 2.485865207447906 (9.07611e-09% change) linmin: converged after 16 iterations. iteration 822: trace = 2.485865207210614 (9.54565e-09% change) linmin: converged after 17 iterations. iteration 823: trace = 2.485865207067391 (5.76149e-09% change) linmin: converged after 7 iterations. iteration 824: trace = 2.485865206864954 (8.14355e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.48586520646312 (1.61647e-08% change) linmin: converged after 23 iterations. iteration 826: trace = 2.485865206110911 (1.41685e-08% change) linmin: converged after 17 iterations. iteration 827: trace = 2.485865205972392 (5.57226e-09% change) large trace change predicted (1.2491e-08%) linmin: converged after 4 iterations. iteration 828: trace = 2.485865205661884 (1.2491e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.485865205349487 (1.25669e-08% change) linmin: converged after 4 iterations. iteration 830: trace = 2.48586520529418 (2.22485e-09% change) large trace change predicted (1.08175e-08%) linmin: converged after 4 iterations. iteration 831: trace = 2.485865205025275 (1.08174e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.485865204878929 (5.88715e-09% change) linmin: converged after 21 iterations. iteration 833: trace = 2.485865204765346 (4.56913e-09% change) linmin: converged after 6 iterations. iteration 834: trace = 2.485865204589559 (7.07148e-09% change) linmin: converged after 5 iterations. iteration 835: trace = 2.485865204344899 (9.84206e-09% change) linmin: converged after 4 iterations. iteration 836: trace = 2.485865204291943 (2.13026e-09% change) large trace change predicted (6.47316e-09%) linmin: converged after 3 iterations. iteration 837: trace = 2.485865204131031 (6.4731e-09% change) linmin: converged after 17 iterations. iteration 838: trace = 2.485865204034483 (3.88387e-09% change) linmin: converged after 15 iterations. iteration 839: trace = 2.485865203980557 (2.16931e-09% change) resetting CG direction... linmin: converged after 15 iterations. iteration 840: trace = 2.485865203928408 (2.09782e-09% change) linmin: converged after 19 iterations. iteration 841: trace = 2.48586520383685 (3.68316e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.485865203699446 (5.52739e-09% change) linmin: converged after 22 iterations. iteration 843: trace = 2.485865203646733 (2.12051e-09% change) large trace change predicted (8.22698e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865203442224 (8.2269e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865203352047 (3.62758e-09% change) linmin: converged after 27 iterations. iteration 846: trace = 2.485865203230271 (4.89872e-09% change) linmin: converged after 6 iterations. iteration 847: trace = 2.485865203104849 (5.04542e-09% change) linmin: converged after 14 iterations. iteration 848: trace = 2.485865203052855 (2.09158e-09% change) large trace change predicted (7.5325e-09%) linmin: converged after 5 iterations. iteration 849: trace = 2.48586520286561 (7.5324e-09% change) linmin: converged after 2 iterations. iteration 850: trace = 2.485865202654902 (8.47622e-09% change) linmin: converged after 23 iterations. iteration 851: trace = 2.485865202588483 (2.67186e-09% change) large trace change predicted (9.92203e-09%) linmin: converged after 4 iterations. iteration 852: trace = 2.485865202341836 (9.922e-09% change) linmin: converged after 19 iterations. iteration 853: trace = 2.48586520214702 (7.83692e-09% change) linmin: converged after 19 iterations. iteration 854: trace = 2.485865202073664 (2.95096e-09% change) large trace change predicted (9.42943e-09%) linmin: converged after 6 iterations. iteration 855: trace = 2.485865201839256 (9.4296e-09% change) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201700119 (5.59713e-09% change) linmin: converged after 2 iterations. iteration 857: trace = 2.485865201646803 (2.14477e-09% change) large trace change predicted (5.53964e-09%) linmin: converged after 4 iterations. iteration 858: trace = 2.485865201509094 (5.53968e-09% change) linmin: converged after 22 iterations. iteration 859: trace = 2.485865201369287 (5.62409e-09% change) linmin: converged after 18 iterations. iteration 860: trace = 2.485865201238217 (5.2726e-09% change) linmin: converged after 8 iterations. iteration 861: trace = 2.485865201183991 (2.18137e-09% change) large trace change predicted (7.48986e-09%) linmin: converged after 21 iterations. iteration 862: trace = 2.485865200997803 (7.48987e-09% change) linmin: converged after 27 iterations. iteration 863: trace = 2.485865200916401 (3.27461e-09% change) linmin: converged after 13 iterations. iteration 864: trace = 2.485865200850357 (2.65678e-09% change) linmin: converged after 36 iterations. iteration 865: trace = 2.485865200719296 (5.27225e-09% change) linmin: converged after 6 iterations. iteration 866: trace = 2.485865200655839 (2.55272e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200571492 (3.39304e-09% change) linmin: converged after 4 iterations. iteration 868: trace = 2.485865200458637 (4.53987e-09% change) linmin: converged after 3 iterations. iteration 869: trace = 2.485865200338493 (4.8331e-09% change) linmin: converged after 9 iterations. iteration 870: trace = 2.485865200280188 (2.34548e-09% change) large trace change predicted (5.40977e-09%) linmin: converged after 12 iterations. iteration 871: trace = 2.485865200145709 (5.40973e-09% change) linmin: converged after 13 iterations. iteration 872: trace = 2.485865200015914 (5.22133e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199974659 (1.65957e-09% change) large trace change predicted (4.14224e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199871688 (4.14226e-09% change) linmin: converged after 16 iterations. iteration 875: trace = 2.485865199781076 (3.64509e-09% change) linmin: converged after 2 iterations. iteration 876: trace = 2.485865199752428 (1.15243e-09% change) large trace change predicted (3.26878e-09%) linmin: converged after 2 iterations. iteration 877: trace = 2.485865199671171 (3.26879e-09% change) linmin: converged after 12 iterations. iteration 878: trace = 2.485865199583092 (3.54317e-09% change) linmin: converged after 19 iterations. iteration 879: trace = 2.485865199559318 (9.5638e-10% change) large trace change predicted (3.28816e-09%) linmin: converged after 15 iterations. iteration 880: trace = 2.485865199477579 (3.28814e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199386177 (3.67687e-09% change) linmin: converged after 2 iterations. iteration 882: trace = 2.485865199345654 (1.63014e-09% change) large trace change predicted (4.75452e-09%) linmin: converged after 6 iterations. iteration 883: trace = 2.485865199227466 (4.75442e-09% change) linmin: converged after 13 iterations. iteration 884: trace = 2.485865199191147 (1.461e-09% change) linmin: converged after 5 iterations. iteration 885: trace = 2.485865199140393 (2.04169e-09% change) linmin: converged after 3 iterations. iteration 886: trace = 2.485865199062937 (3.11587e-09% change) linmin: converged after 24 iterations. iteration 887: trace = 2.485865198999102 (2.56793e-09% change) linmin: converged after 3 iterations. iteration 888: trace = 2.485865198939075 (2.41472e-09% change) large trace change predicted (4.94698e-09%) linmin: converged after 16 iterations. iteration 889: trace = 2.4858651988161 (4.94699e-09% change) linmin: converged after 3 iterations. iteration 890: trace = 2.485865198734328 (3.28948e-09% change) linmin: converged after 7 iterations. iteration 891: trace = 2.485865198693158 (1.65615e-09% change) large trace change predicted (3.65933e-09%) linmin: converged after 4 iterations. iteration 892: trace = 2.485865198602191 (3.65938e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.48586519854553 (2.27934e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198526149 (7.79646e-10% change) large trace change predicted (1.63767e-09%) linmin: converged after 4 iterations. iteration 895: trace = 2.485865198485438 (1.6377e-09% change) linmin: converged after 6 iterations. iteration 896: trace = 2.485865198446647 (1.56047e-09% change) linmin: converged after 5 iterations. iteration 897: trace = 2.485865198404874 (1.6804e-09% change) linmin: converged after 15 iterations. iteration 898: trace = 2.485865198381024 (9.59435e-10% change) linmin: converged after 21 iterations. iteration 899: trace = 2.485865198340132 (1.64499e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198291408 (1.96005e-09% change) linmin: converged after 9 iterations. iteration 901: trace = 2.485865198268051 (9.39569e-10% change) linmin: converged after 24 iterations. iteration 902: trace = 2.485865198230728 (1.50143e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865198181385 (1.98493e-09% change) linmin: converged after 6 iterations. iteration 904: trace = 2.485865198160242 (8.50514e-10% change) large trace change predicted (2.59649e-09%) linmin: converged after 8 iterations. iteration 905: trace = 2.485865198095696 (2.59654e-09% change) linmin: converged after 2 iterations. iteration 906: trace = 2.485865198069126 (1.06884e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865198038041 (1.25047e-09% change) large trace change predicted (3.02402e-09%) linmin: converged after 5 iterations. iteration 908: trace = 2.485865197962871 (3.02392e-09% change) linmin: converged after 12 iterations. iteration 909: trace = 2.485865197867926 (3.81937e-09% change) resetting CG direction... linmin: converged after 27 iterations. iteration 910: trace = 2.485865197779493 (3.55744e-09% change) linmin: converged after 3 iterations. iteration 911: trace = 2.485865197714815 (2.60183e-09% change) linmin: converged after 4 iterations. iteration 912: trace = 2.485865197690492 (9.78443e-10% change) linmin: converged after 9 iterations. iteration 913: trace = 2.485865197667755 (9.14666e-10% change) large trace change predicted (2.03791e-09%) linmin: converged after 19 iterations. iteration 914: trace = 2.485865197617092 (2.03803e-09% change) linmin: converged after 18 iterations. iteration 915: trace = 2.485865197603817 (5.34008e-10% change) large trace change predicted (1.636e-09%) linmin: converged after 3 iterations. iteration 916: trace = 2.485865197563149 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 917: trace = 2.485865197534232 (1.16329e-09% change) linmin: converged after 9 iterations. iteration 918: trace = 2.485865197517445 (6.75281e-10% change) large trace change predicted (1.50937e-09%) linmin: converged after 4 iterations. iteration 919: trace = 2.485865197479924 (1.50936e-09% change) linmin: converged after 3 iterations. iteration 920: trace = 2.485865197449738 (1.21433e-09% change) linmin: converged after 18 iterations. iteration 921: trace = 2.485865197431222 (7.44846e-10% change) linmin: converged after 3 iterations. iteration 922: trace = 2.485865197398013 (1.33593e-09% change) linmin: converged after 15 iterations. iteration 923: trace = 2.485865197383809 (5.71363e-10% change) linmin: converged after 12 iterations. iteration 924: trace = 2.485865197363209 (8.28684e-10% change) linmin: converged after 6 iterations. iteration 925: trace = 2.485865197330011 (1.33547e-09% change) linmin: converged after 4 iterations. iteration 926: trace = 2.485865197285912 (1.77399e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.485865197268385 (7.05097e-10% change) large trace change predicted (2.3754e-09%) linmin: converged after 3 iterations. iteration 928: trace = 2.485865197209335 (2.37543e-09% change) linmin: converged after 18 iterations. iteration 929: trace = 2.485865197152 (2.30642e-09% change) linmin: converged after 15 iterations. iteration 930: trace = 2.485865197128124 (9.60489e-10% change) large trace change predicted (2.02515e-09%) linmin: converged after 13 iterations. iteration 931: trace = 2.485865197077779 (2.02522e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197025277 (2.11204e-09% change) linmin: converged after 3 iterations. iteration 933: trace = 2.485865197014812 (4.20979e-10% change) large trace change predicted (1.51339e-09%) linmin: converged after 15 iterations. iteration 934: trace = 2.485865196977192 (1.51336e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196943954 (1.33709e-09% change) linmin: converged after 4 iterations. iteration 936: trace = 2.485865196894677 (1.98227e-09% change) linmin: converged after 20 iterations. iteration 937: trace = 2.48586519688186 (5.15607e-10% change) large trace change predicted (2.08236e-09%) linmin: converged after 6 iterations. iteration 938: trace = 2.485865196830097 (2.08228e-09% change) linmin: converged after 19 iterations. iteration 939: trace = 2.485865196800589 (1.18705e-09% change) linmin: converged after 2 iterations. iteration 940: trace = 2.485865196785388 (6.11504e-10% change) large trace change predicted (1.64881e-09%) linmin: converged after 11 iterations. iteration 941: trace = 2.485865196744399 (1.64885e-09% change) linmin: converged after 9 iterations. iteration 942: trace = 2.485865196717632 (1.07679e-09% change) linmin: converged after 5 iterations. iteration 943: trace = 2.485865196692838 (9.97397e-10% change) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196652658 (1.61633e-09% change) linmin: converged after 15 iterations. iteration 945: trace = 2.485865196606591 (1.85318e-09% change) linmin: converged after 18 iterations. iteration 946: trace = 2.485865196590932 (6.29887e-10% change) large trace change predicted (1.85795e-09%) linmin: converged after 15 iterations. iteration 947: trace = 2.485865196544747 (1.85792e-09% change) linmin: converged after 10 iterations. iteration 948: trace = 2.485865196504116 (1.6345e-09% change) linmin: converged after 15 iterations. iteration 949: trace = 2.485865196479669 (9.83409e-10% change) linmin: converged after 14 iterations. iteration 950: trace = 2.4858651964373 (1.70441e-09% change) linmin: converged after 6 iterations. iteration 951: trace = 2.485865196421519 (6.34853e-10% change) linmin: converged after 6 iterations. iteration 952: trace = 2.485865196401864 (7.90668e-10% change) linmin: converged after 21 iterations. iteration 953: trace = 2.485865196364467 (1.50438e-09% change) linmin: converged after 4 iterations. iteration 954: trace = 2.485865196329271 (1.41584e-09% change) linmin: converged after 18 iterations. iteration 955: trace = 2.485865196314101 (6.10236e-10% change) linmin: converged after 21 iterations. iteration 956: trace = 2.485865196290834 (9.35996e-10% change) linmin: converged after 16 iterations. iteration 957: trace = 2.485865196244984 (1.84441e-09% change) linmin: converged after 10 iterations. iteration 958: trace = 2.4858651962366 (3.37265e-10% change) large trace change predicted (1.55062e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196198053 (1.55066e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.485865196165143 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 961: trace = 2.485865196154426 (4.31108e-10% change) large trace change predicted (1.15665e-09%) linmin: converged after 21 iterations. iteration 962: trace = 2.485865196125674 (1.15662e-09% change) linmin: converged after 8 iterations. iteration 963: trace = 2.485865196089094 (1.47154e-09% change) linmin: converged after 10 iterations. iteration 964: trace = 2.485865196076043 (5.25004e-10% change) large trace change predicted (1.88293e-09%) linmin: converged after 7 iterations. iteration 965: trace = 2.485865196029238 (1.88285e-09% change) linmin: converged after 21 iterations. iteration 966: trace = 2.485865195985069 (1.77677e-09% change) linmin: converged after 7 iterations. iteration 967: trace = 2.485865195949636 (1.42541e-09% change) linmin: converged after 10 iterations. iteration 968: trace = 2.485865195932265 (6.98791e-10% change) large trace change predicted (1.48707e-09%) linmin: converged after 18 iterations. iteration 969: trace = 2.4858651958953 (1.48699e-09% change) linmin: converged after 6 iterations. iteration 970: trace = 2.485865195875271 (8.0571e-10% change) linmin: converged after 5 iterations. iteration 971: trace = 2.485865195858119 (6.89966e-10% change) linmin: converged after 9 iterations. iteration 972: trace = 2.485865195839179 (7.61924e-10% change) linmin: converged after 11 iterations. iteration 973: trace = 2.485865195818592 (8.28148e-10% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195808338 (4.12493e-10% change) large trace change predicted (1.15629e-09%) linmin: converged after 4 iterations. iteration 975: trace = 2.485865195779595 (1.15627e-09% change) linmin: converged after 7 iterations. iteration 976: trace = 2.485865195767748 (4.76591e-10% change) linmin: converged after 10 iterations. iteration 977: trace = 2.485865195754008 (5.52712e-10% change) linmin: converged after 11 iterations. iteration 978: trace = 2.485865195742006 (4.82808e-10% change) linmin: converged after 4 iterations. iteration 979: trace = 2.485865195735699 (2.53731e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195729538 (2.47817e-10% change) linmin: converged after 7 iterations. iteration 981: trace = 2.485865195718167 (4.5744e-10% change) linmin: converged after 10 iterations. iteration 982: trace = 2.485865195706118 (4.84702e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.48586519569485 (4.53278e-10% change) large trace change predicted (9.8525e-10%) linmin: converged after 16 iterations. iteration 984: trace = 2.48586519567036 (9.85178e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195662614 (3.11612e-10% change) large trace change predicted (6.89496e-10%) linmin: converged after 25 iterations. iteration 986: trace = 2.485865195645474 (6.89465e-10% change) linmin: converged after 10 iterations. iteration 987: trace = 2.485865195630695 (5.94533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195623671 (2.82546e-10% change) large trace change predicted (8.36744e-10%) linmin: converged after 12 iterations. iteration 989: trace = 2.485865195602871 (8.36741e-10% change) linmin: converged after 3 iterations. iteration 990: trace = 2.485865195577373 (1.02573e-09% change) linmin: converged after 12 iterations. iteration 991: trace = 2.485865195569374 (3.21795e-10% change) large trace change predicted (1.18579e-09%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195539894 (1.18587e-09% change) linmin: converged after 16 iterations. iteration 993: trace = 2.485865195513663 (1.05524e-09% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195504994 (3.48734e-10% change) large trace change predicted (1.19964e-09%) linmin: converged after 22 iterations. iteration 995: trace = 2.485865195475174 (1.19955e-09% change) linmin: converged after 5 iterations. iteration 996: trace = 2.485865195453173 (8.85047e-10% change) linmin: converged after 6 iterations. iteration 997: trace = 2.485865195444979 (3.29637e-10% change) linmin: converged after 5 iterations. iteration 998: trace = 2.485865195431235 (5.52873e-10% change) linmin: converged after 17 iterations. iteration 999: trace = 2.48586519541321 (7.25087e-10% change) linmin: converged after 6 iterations. iteration 1000: trace = 2.485865195407233 (2.40475e-10% change) large trace change predicted (7.1572e-10%) linmin: converged after 4 iterations. iteration 1001: trace = 2.485865195389439 (7.15798e-10% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.485865195366087 (9.39391e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.48586519535643 (3.88465e-10% change) linmin: converged after 16 iterations. iteration 1004: trace = 2.485865195348283 (3.27743e-10% change) linmin: converged after 16 iterations. iteration 1005: trace = 2.485865195332919 (6.18061e-10% change) linmin: converged after 12 iterations. iteration 1006: trace = 2.485865195325522 (2.97552e-10% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.485865195315592 (3.9947e-10% change) linmin: converged after 18 iterations. iteration 1008: trace = 2.485865195302418 (5.29953e-10% change) linmin: converged after 14 iterations. iteration 1009: trace = 2.48586519528831 (5.67504e-10% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.485865195282737 (2.242e-10% change) large trace change predicted (7.19285e-10%) linmin: converged after 6 iterations. iteration 1011: trace = 2.485865195264858 (7.19228e-10% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.485865195247599 (6.94289e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865195239529 (3.24635e-10% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.485865195229751 (3.93342e-10% change) linmin: converged after 3 iterations. iteration 1015: trace = 2.485865195216892 (5.17304e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865195212109 (1.92401e-10% change) linmin: converged after 6 iterations. iteration 1017: trace = 2.485865195203397 (3.50431e-10% change) linmin: converged after 3 iterations. iteration 1018: trace = 2.48586519519056 (5.16429e-10% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.485865195187408 (1.26767e-10% change) large trace change predicted (3.78648e-10%) linmin: converged after 18 iterations. iteration 1020: trace = 2.485865195177993 (3.78747e-10% change) linmin: converged after 10 iterations. iteration 1021: trace = 2.485865195163123 (5.98177e-10% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.485865195156914 (2.498e-10% change) linmin: converged after 3 iterations. iteration 1023: trace = 2.48586519514668 (4.11671e-10% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.485865195138649 (3.23081e-10% change) linmin: converged after 8 iterations. iteration 1025: trace = 2.485865195132884 (2.31918e-10% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.485865195127163 (2.30131e-10% change) large trace change predicted (4.92127e-10%) linmin: converged after 4 iterations. iteration 1027: trace = 2.48586519511493 (4.92115e-10% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.485865195111738 (1.28393e-10% change) large trace change predicted (5.51697e-10%) linmin: converged after 3 iterations. iteration 1029: trace = 2.48586519509802 (5.51819e-10% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.485865195086531 (4.62192e-10% change) linmin: converged after 12 iterations. iteration 1031: trace = 2.485865195082156 (1.76002e-10% change) large trace change predicted (4.23674e-10%) linmin: converged after 5 iterations. iteration 1032: trace = 2.485865195071622 (4.2373e-10% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.485865195063092 (3.43143e-10% change) linmin: converged after 8 iterations. iteration 1034: trace = 2.485865195058281 (1.93563e-10% change) linmin: converged after 3 iterations. iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 11.459135293960571 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860521618544 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953190274542 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889502713794 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356527115023 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948739451574 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.59637195673933 (0.0222125% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542822108817 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152272227645 (0.0150481% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847304055892 (0.0117521% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454354679778 (0.0151446% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326218334966 (0.00493898% change) large trace change predicted (0.0216464%) linmin: converged after 4 iterations. iteration 12: trace = 2.59377725804431 (0.0211623% change) linmin: converged after 4 iterations. iteration 13: trace = 2.59351194519011 (0.0102293% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177804948497 (0.0128845% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759541877131 (0.0161307% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616450337081 (0.00551904% change) large trace change predicted (0.0234744%) linmin: converged after 6 iterations. iteration 17: trace = 2.592030992157174 (0.0225843% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838798349907 (0.00741507% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510380906076 (0.012672% change) linmin: converged after 24 iterations. iteration 20: trace = 2.591143477406139 (0.0141589% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058370891482 (0.00328457% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787468655928 (0.0104558% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682206926354 (0.00406301% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536715489336 (0.00561611% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316103030832 (0.00851645% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262773503845 (0.00205883% change) large trace change predicted (0.00488929%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136126018992 (0.00488949% change) linmin: converged after 3 iterations. iteration 28: trace = 2.59006415221636 (0.0027788% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589967059741261 (0.00374872% change) linmin: converged after 6 iterations. iteration 30: trace = 2.58984703354588 (0.00463438% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779805109319 (0.00259588% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656245739652 (0.00477115% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592317183004 (0.00246864% change) large trace change predicted (0.0058733%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438799786502 (0.00592842% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299452439772 (0.00538152% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151667919612 (0.00570767% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877424791422 (0.0105926% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758943947076 (0.00457664% change) large trace change predicted (0.0103813%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487298044556 (0.0104938% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238628793924 (0.0096072% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129511987392 (0.00421596% change) large trace change predicted (0.00966115%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877945573201 (0.00972048% change) linmin: converged after 4 iterations. iteration 43: trace = 2.587755245936565 (0.00474143% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559949936852 (0.00754721% change) linmin: converged after 4 iterations. iteration 45: trace = 2.587201554185449 (0.0138517% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078783260084 (0.00474543% change) large trace change predicted (0.0134462%) linmin: converged after 11 iterations. iteration 47: trace = 2.586730945154498 (0.0134461% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416748640698 (0.0121472% change) linmin: converged after 4 iterations. iteration 49: trace = 2.58617269284236 (0.0094365% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801979697706 (0.0143355% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704615333812 (0.00376542% change) large trace change predicted (0.00796062%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499823527465 (0.00792047% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309103142582 (0.00737681% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225685346267 (0.00322666% change) large trace change predicted (0.00858072%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005388880063 (0.00852173% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916436170431 (0.00344116% change) linmin: converged after 3 iterations. iteration 57: trace = 2.584748118065533 (0.00651176% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504243703837 (0.00943558% change) linmin: converged after 5 iterations. iteration 59: trace = 2.58441870929796 (0.00330956% change) large trace change predicted (0.00842777%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201832061457 (0.00839207% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099116928128 (0.00397481% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934387426116 (0.00637494% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709086143977 (0.00871969% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615303596189 (0.00362983% change) large trace change predicted (0.00904912%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383065985255 (0.00898927% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261817052908 (0.00469353% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112578823719 (0.00577729% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958408053899 (0.00596859% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869907040918 (0.0034264% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791348541924 (0.00304157% change) linmin: converged after 4 iterations. iteration 71: trace = 2.582689741007504 (0.0039341% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487366629814 (0.00783611% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430453958849 (0.00220382% change) large trace change predicted (0.00655171%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260864559661 (0.00656726% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582143021268454 (0.00456367% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089107295908 (0.00208798% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989431924498 (0.00386034% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949472930305 (0.00154762% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896459257402 (0.00205326% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814632582808 (0.0031693% change) linmin: converged after 8 iterations. iteration 81: trace = 2.581795111738478 (0.000756093% change) large trace change predicted (0.00246215%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731376217022 (0.00246868% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679824632536 (0.0019968% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660367994335 (0.000753645% change) large trace change predicted (0.00226661%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601717821526 (0.00227183% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512345867647 (0.00346194% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471227992637 (0.0015928% change) large trace change predicted (0.00460237%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352116263461 (0.00461421% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296779531606 (0.00214373% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194600924959 (0.0039585% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064488612853 (0.00504091% change) linmin: converged after 5 iterations. iteration 92: trace = 2.581038716555532 (0.00099851% change) large trace change predicted (0.0040394%) linmin: converged after 5 iterations. iteration 93: trace = 2.58093458776426 (0.00403446% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892432238924 (0.00163336% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844724890247 (0.0018485% change) linmin: converged after 6 iterations. iteration 96: trace = 2.580750183705137 (0.00366325% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717828611179 (0.00125372% change) large trace change predicted (0.0030374%) linmin: converged after 5 iterations. iteration 98: trace = 2.580639620565305 (0.00303052% change) linmin: converged after 3 iterations. iteration 99: trace = 2.58058680556341 (0.00204661% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568646580939 (0.000703679% change) large trace change predicted (0.00145474%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531174749226 (0.00145209% change) linmin: converged after 6 iterations. iteration 102: trace = 2.580515821400738 (0.00059497% change) linmin: converged after 3 iterations. iteration 103: trace = 2.580499610257485 (0.000628215% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473844714205 (0.000998476% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463057663908 (0.000418027% change) large trace change predicted (0.00115936%) linmin: converged after 5 iterations. iteration 106: trace = 2.580433181712845 (0.00115778% change) linmin: converged after 4 iterations. iteration 107: trace = 2.580404842706844 (0.00109823% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391220614823 (0.000527907% change) large trace change predicted (0.00162401%) linmin: converged after 6 iterations. iteration 109: trace = 2.58034938545596 (0.00162129% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298612764278 (0.00196769% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288508159597 (0.000391607% change) large trace change predicted (0.00143953%) linmin: converged after 4 iterations. iteration 112: trace = 2.580251404412864 (0.00143798% change) linmin: converged after 3 iterations. iteration 113: trace = 2.58023664525397 (0.000572006% change) linmin: converged after 11 iterations. iteration 114: trace = 2.580210094826152 (0.001029% change) linmin: converged after 3 iterations. iteration 115: trace = 2.58015741422241 (0.00204174% change) linmin: converged after 4 iterations. iteration 116: trace = 2.58014461711526 (0.000495983% change) large trace change predicted (0.00229676%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085296752692 (0.00229914% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043058127242 (0.00163712% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026058405644 (0.000658895% change) large trace change predicted (0.00241022%) linmin: converged after 3 iterations. iteration 120: trace = 2.57996378178859 (0.00241383% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916640550724 (0.00182722% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904056238242 (0.000487781% change) large trace change predicted (0.00145245%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866542252547 (0.0014541% change) linmin: converged after 4 iterations. iteration 124: trace = 2.579847592337901 (0.000734534% change) linmin: converged after 3 iterations. iteration 125: trace = 2.579816281551699 (0.00121368% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774349284264 (0.00162541% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579756590919291 (0.000688371% change) large trace change predicted (0.00190679%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707395141529 (0.00190701% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579653617637238 (0.00208466% change) linmin: converged after 4 iterations. iteration 130: trace = 2.579637916552168 (0.000608653% change) large trace change predicted (0.00175039%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592840731829 (0.00174739% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574096929589 (0.000726621% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568114449036 (0.000231918% change) large trace change predicted (0.001722%) linmin: converged after 4 iterations. iteration 134: trace = 2.579523666343963 (0.0017231% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512581470192 (0.000429727% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493216582579 (0.000750722% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467345140199 (0.00100297% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459760113513 (0.000294054% change) large trace change predicted (0.00116611%) linmin: converged after 8 iterations. iteration 139: trace = 2.579429699942999 (0.00116537% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579415960578535 (0.000532653% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409114902801 (0.000265397% change) linmin: converged after 7 iterations. iteration 142: trace = 2.579396475750914 (0.000490003% change) linmin: converged after 4 iterations. iteration 143: trace = 2.579389496853502 (0.000270564% change) linmin: converged after 6 iterations. iteration 144: trace = 2.579378564721089 (0.000423827% change) linmin: converged after 4 iterations. iteration 145: trace = 2.57935911532702 (0.000754037% change) linmin: converged after 4 iterations. iteration 146: trace = 2.579354333271482 (0.000185397% change) large trace change predicted (0.000499916%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341448525281 (0.000499535% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579326843829279 (0.00056622% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321332211588 (0.000213685% change) large trace change predicted (0.000602531%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305792334234 (0.000602481% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579295529599734 (0.000397888% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281579557514 (0.000540848% change) linmin: converged after 4 iterations. iteration 153: trace = 2.579262991642048 (0.000720665% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257834287736 (0.000199955% change) large trace change predicted (0.000501703%) linmin: converged after 5 iterations. iteration 155: trace = 2.579244893868627 (0.000501712% change) linmin: converged after 12 iterations. iteration 156: trace = 2.579230291884151 (0.000566136% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225933151878 (0.000168994% change) large trace change predicted (0.000602353%) linmin: converged after 28 iterations. iteration 158: trace = 2.579210404201151 (0.00060208% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202201581079 (0.000318029% change) linmin: converged after 3 iterations. iteration 160: trace = 2.579194288343271 (0.00030681% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234657636 (0.000428572% change) linmin: converged after 3 iterations. iteration 162: trace = 2.579177094550377 (0.000238064% change) linmin: converged after 4 iterations. iteration 163: trace = 2.57916659339966 (0.000407152% change) linmin: converged after 6 iterations. iteration 164: trace = 2.579151163030524 (0.000598271% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579147648594193 (0.000136263% change) large trace change predicted (0.000303338%) linmin: converged after 4 iterations. iteration 166: trace = 2.57913982732519 (0.000303251% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579133123981774 (0.000259907% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130526048661 (0.000100729% change) large trace change predicted (0.000322419%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122206736161 (0.000322563% change) linmin: converged after 4 iterations. iteration 170: trace = 2.579119316372324 (0.000112068% change) linmin: converged after 4 iterations. iteration 171: trace = 2.579114500842551 (0.000186712% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109325546197 (0.000200662% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579107944741859 (5.3538e-05% change) large trace change predicted (0.000194876%) linmin: converged after 3 iterations. iteration 174: trace = 2.579102915570909 (0.000194997% change) linmin: converged after 11 iterations. iteration 175: trace = 2.579098411465147 (0.000174639% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096620862684 (6.94275e-05% change) large trace change predicted (0.000229779%) linmin: converged after 3 iterations. iteration 177: trace = 2.57909068903246 (0.000229997% change) linmin: converged after 3 iterations. iteration 178: trace = 2.57908722597381 (0.000134274% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085275581576 (7.56234e-05% change) large trace change predicted (0.000238926%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079110485394 (0.000239042% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579077118821251 (7.72239e-05% change) large trace change predicted (0.000245839%) linmin: converged after 4 iterations. iteration 182: trace = 2.579070776674144 (0.000245908% change) linmin: converged after 4 iterations. iteration 183: trace = 2.579062519937734 (0.000320144% change) linmin: converged after 4 iterations. iteration 184: trace = 2.579059772313992 (0.000106536% change) large trace change predicted (0.000240066%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053579658166 (0.000240113% change) linmin: converged after 4 iterations. iteration 186: trace = 2.579045264581167 (0.000322409% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042485940616 (0.000107739% change) large trace change predicted (0.000296458%) linmin: converged after 3 iterations. iteration 188: trace = 2.579034843461428 (0.000296331% change) linmin: converged after 4 iterations. iteration 189: trace = 2.579032597962294 (8.70675e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028655164773 (0.000152879% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022910879041 (0.000222731% change) linmin: converged after 7 iterations. iteration 192: trace = 2.579021622787959 (4.99449e-05% change) large trace change predicted (0.000203214%) linmin: converged after 3 iterations. iteration 193: trace = 2.579016385227683 (0.000203083% change) linmin: converged after 7 iterations. iteration 194: trace = 2.579010649159224 (0.000222413% change) linmin: converged after 4 iterations. iteration 195: trace = 2.579009216830626 (5.55379e-05% change) large trace change predicted (0.000151487%) linmin: converged after 5 iterations. iteration 196: trace = 2.579005312263789 (0.000151398% change) linmin: converged after 6 iterations. iteration 197: trace = 2.579001471136257 (0.000148938% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000202095394 (4.92067e-05% change) large trace change predicted (0.000142495%) linmin: converged after 4 iterations. iteration 199: trace = 2.578996529822402 (0.000142391% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578995187350642 (5.2054e-05% change) large trace change predicted (0.000131731%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991792415594 (0.000131638% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988993888872 (0.000108512% change) linmin: converged after 5 iterations. iteration 203: trace = 2.578987762684613 (4.77398e-05% change) large trace change predicted (0.000135855%) linmin: converged after 3 iterations. iteration 204: trace = 2.578984260530736 (0.000135796% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578980856605261 (0.000131987% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978830383538 (7.85668e-05% change) large trace change predicted (0.000160162%) linmin: converged after 3 iterations. iteration 207: trace = 2.578974698738432 (0.000160205% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578973015751278 (6.5258e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970593185892 (9.39353e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578968714970213 (7.28281e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.578967709801617 (3.89756e-05% change) large trace change predicted (8.45731e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.578965528390797 (8.45847e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964563648843 (3.74081e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.578962691495152 (7.25933e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960582717608 (8.17685e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.578959861533169 (2.79642e-05% change) large trace change predicted (6.89091e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.578958084037421 (6.8923e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.578955797477816 (8.86622e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.57895504299751 (2.92553e-05% change) large trace change predicted (7.33764e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.578953149960638 (7.34033e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952452927342 (2.70278e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.578951239347376 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949560038214 (6.5116e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948829317527 (2.8334e-05% change) large trace change predicted (6.89296e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.57894705091941 (6.89583e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944887353176 (8.38934e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.578944180787921 (2.73975e-05% change) large trace change predicted (0.000106351%) linmin: converged after 5 iterations. iteration 228: trace = 2.578941437166416 (0.000106386% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578939973196951 (5.67663e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938658299422 (5.0986e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936212270739 (9.48464e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935104609958 (4.29503e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.57893355483672 (6.00936e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932051113395 (5.8308e-05% change) linmin: converged after 4 iterations. iteration 235: trace = 2.578931430256686 (2.40742e-05% change) large trace change predicted (6.3687e-05%) linmin: converged after 4 iterations. iteration 236: trace = 2.578929787965555 (6.36811e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927732842243 (7.9689e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.578927370696145 (1.40425e-05% change) large trace change predicted (7.88144e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925339249452 (7.8771e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924460385541 (3.40787e-05% change) linmin: converged after 8 iterations. iteration 241: trace = 2.578923850546401 (2.3647e-05% change) large trace change predicted (4.97598e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.578922567884795 (4.97363e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922080751145 (1.8889e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.578921459580042 (2.40865e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.578920588759444 (3.37669e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.578920152669645 (1.69098e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.578919528317649 (2.42098e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.57891839601165 (4.39062e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578918027857583 (1.42755e-05% change) large trace change predicted (4.59907e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.578916842021182 (4.59819e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.578916059169786 (3.03558e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.578915623446967 (1.68956e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.578914755413444 (3.36589e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.578914220269266 (2.07508e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913286361983 (3.62132e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.578911970243699 (5.10338e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911690891971 (1.08322e-05% change) large trace change predicted (4.1962e-05%) linmin: converged after 19 iterations. iteration 258: trace = 2.57891060870616 (4.19629e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909258395869 (5.23597e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908933608401 (1.2594e-05% change) large trace change predicted (6.02701e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907379207026 (6.02736e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906522316381 (3.32269e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.578905991059567 (2.06001e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.578905011242142 (3.79935e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.57890431127686 (2.7142e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.578903889516543 (1.63542e-05% change) large trace change predicted (4.42885e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.578902747575397 (4.42801e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902526433914 (8.57502e-06% change) large trace change predicted (3.14436e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.578901715648348 (3.14392e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900890314848 (3.20033e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.578900701551541 (7.31953e-06% change) large trace change predicted (2.65202e-05%) linmin: converged after 5 iterations. iteration 272: trace = 2.578900017648208 (2.65192e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899271387342 (2.89372e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899118432121 (5.93103e-06% change) large trace change predicted (2.54228e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898462777596 (2.54238e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898159127796 (1.17744e-05% change) linmin: converged after 5 iterations. iteration 277: trace = 2.578897869249839 (1.12404e-05% change) large trace change predicted (2.31179e-05%) linmin: converged after 7 iterations. iteration 278: trace = 2.578897273050618 (2.31184e-05% change) linmin: converged after 5 iterations. iteration 279: trace = 2.578896730929192 (2.10214e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896287665295 (1.71881e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.5788958899988 (1.542e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895754454166 (5.25592e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578895485195463 (1.04409e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.578895087730657 (1.54122e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578894975971315 (4.33361e-06% change) large trace change predicted (1.81265e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.578894508574154 (1.81239e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.57889410801878 (1.55321e-05% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578893999560019 (4.20563e-06% change) large trace change predicted (1.59254e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893588928751 (1.59228e-05% change) linmin: converged after 7 iterations. iteration 290: trace = 2.578893306795367 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.578893123980304 (7.0889e-06% change) large trace change predicted (1.69244e-05%) linmin: converged after 3 iterations. iteration 292: trace = 2.578892687544148 (1.69234e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892518215895 (6.56593e-06% change) linmin: converged after 3 iterations. iteration 294: trace = 2.578892241221396 (1.07408e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891835610835 (1.57281e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.578891612915137 (8.63533e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.57889126373564 (1.35399e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.578890876180742 (1.5028e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.578890683270827 (7.48034e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.578890325968974 (1.38549e-05% change) linmin: converged after 5 iterations. iteration 301: trace = 2.578890085566034 (9.32195e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889936017831 (5.79894e-06% change) large trace change predicted (1.31324e-05%) linmin: converged after 19 iterations. iteration 303: trace = 2.578889597397355 (1.31305e-05% change) linmin: converged after 2 iterations. iteration 304: trace = 2.5788895208872 (2.96679e-06% change) large trace change predicted (9.17308e-06%) linmin: converged after 4 iterations. iteration 305: trace = 2.578889284341206 (9.1724e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.578889040073928 (9.4718e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.578888806884359 (9.04225e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888736130238 (2.74359e-06% change) large trace change predicted (1.0083e-05%) linmin: converged after 4 iterations. iteration 309: trace = 2.578888476085962 (1.00836e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888389309429 (3.36488e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.578888222547906 (6.46641e-06% change) linmin: converged after 18 iterations. iteration 312: trace = 2.578888068859919 (5.95947e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578888019568005 (1.91136e-06% change) large trace change predicted (5.76668e-06%) linmin: converged after 4 iterations. iteration 314: trace = 2.578887870845399 (5.76693e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887718433325 (5.90999e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887677161438 (1.60038e-06% change) large trace change predicted (7.15223e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578887492693028 (7.15302e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887351236361 (5.48518e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.578887270444731 (3.13281e-06% change) large trace change predicted (1.02195e-05%) linmin: converged after 4 iterations. iteration 320: trace = 2.578887006872511 (1.02204e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886955611378 (1.98772e-06% change) large trace change predicted (7.85794e-06%) linmin: converged after 2 iterations. iteration 322: trace = 2.578886752955543 (7.85827e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.578886590840106 (6.28626e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.578886530251842 (2.3494e-06% change) large trace change predicted (5.63931e-06%) linmin: converged after 3 iterations. iteration 325: trace = 2.5788863848269 (5.63906e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886232586593 (5.90334e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.57888615054765 (3.18118e-06% change) large trace change predicted (7.48174e-06%) linmin: converged after 4 iterations. iteration 328: trace = 2.578885957625688 (7.48083e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885864164633 (3.62409e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885776693701 (3.39181e-06% change) large trace change predicted (7.33093e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.578885587670807 (7.32963e-06% change) linmin: converged after 27 iterations. iteration 332: trace = 2.578885538373884 (1.91156e-06% change) large trace change predicted (5.04363e-06%) linmin: converged after 3 iterations. iteration 333: trace = 2.578885408321698 (5.04296e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.578885265495369 (5.5383e-06% change) linmin: converged after 16 iterations. iteration 335: trace = 2.578885235565986 (1.16056e-06% change) large trace change predicted (3.35533e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.578885149043622 (3.35503e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885066707878 (3.19269e-06% change) linmin: converged after 8 iterations. iteration 338: trace = 2.578885041183195 (9.89757e-07% change) large trace change predicted (3.32552e-06%) linmin: converged after 3 iterations. iteration 339: trace = 2.578884955426909 (3.32532e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.578884848723537 (4.13758e-06% change) linmin: converged after 14 iterations. iteration 341: trace = 2.578884818458568 (1.17357e-06% change) large trace change predicted (4.0853e-06%) linmin: converged after 7 iterations. iteration 342: trace = 2.57888471310624 (4.08519e-06% change) linmin: converged after 18 iterations. iteration 343: trace = 2.578884642392182 (2.74204e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884602713305 (1.53861e-06% change) large trace change predicted (4.4568e-06%) linmin: converged after 5 iterations. iteration 345: trace = 2.57888448777896 (4.45675e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.578884431780175 (2.17143e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.578884386051757 (1.77319e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.57888431058125 (2.92648e-06% change) linmin: converged after 24 iterations. iteration 349: trace = 2.578884267815745 (1.65829e-06% change) resetting CG direction... linmin: converged after 9 iterations. iteration 350: trace = 2.57888422833012 (1.53111e-06% change) linmin: converged after 6 iterations. iteration 351: trace = 2.578884167212491 (2.36993e-06% change) linmin: converged after 3 iterations. iteration 352: trace = 2.578884135134724 (1.24386e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.578884090075526 (1.74724e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578884011742868 (3.03746e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.578883994515857 (6.68003e-07% change) large trace change predicted (2.17546e-06%) linmin: converged after 5 iterations. iteration 356: trace = 2.578883938409311 (2.17561e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.578883881997645 (2.18744e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.578883862483115 (7.56704e-07% change) large trace change predicted (2.56736e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.578883796268618 (2.56756e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.578883777226458 (7.38388e-07% change) linmin: converged after 2 iterations. iteration 361: trace = 2.578883743261209 (1.31705e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.578883702488097 (1.58104e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.57888368633559 (6.26337e-07% change) large trace change predicted (1.65619e-06%) linmin: converged after 2 iterations. iteration 364: trace = 2.578883643621738 (1.65629e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.578883577061982 (2.58095e-06% change) linmin: converged after 8 iterations. iteration 366: trace = 2.578883554707284 (8.66836e-07% change) large trace change predicted (2.20978e-06%) linmin: converged after 2 iterations. iteration 367: trace = 2.57888349771743 (2.20987e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.578883427926582 (2.70624e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.578883406635272 (8.25602e-07% change) large trace change predicted (1.99771e-06%) linmin: converged after 2 iterations. iteration 370: trace = 2.578883355116631 (1.99771e-06% change) linmin: converged after 6 iterations. iteration 371: trace = 2.578883286972285 (2.6424e-06% change) linmin: converged after 16 iterations. iteration 372: trace = 2.578883267400527 (7.58924e-07% change) large trace change predicted (2.58803e-06%) linmin: converged after 2 iterations. iteration 373: trace = 2.57888320065819 (2.58803e-06% change) linmin: converged after 10 iterations. iteration 374: trace = 2.578883160950679 (1.53972e-06% change) linmin: converged after 13 iterations. iteration 375: trace = 2.578883142543416 (7.13769e-07% change) large trace change predicted (2.24375e-06%) linmin: converged after 3 iterations. iteration 376: trace = 2.57888308468267 (2.24364e-06% change) linmin: converged after 10 iterations. iteration 377: trace = 2.578883025109856 (2.31002e-06% change) linmin: converged after 12 iterations. iteration 378: trace = 2.578883013424509 (4.53117e-07% change) large trace change predicted (2.17064e-06%) linmin: converged after 4 iterations. iteration 379: trace = 2.578882957449465 (2.17052e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.578882925837505 (1.2258e-06% change) linmin: converged after 9 iterations. iteration 381: trace = 2.578882910105894 (6.10016e-07% change) large trace change predicted (1.62587e-06%) linmin: converged after 22 iterations. iteration 382: trace = 2.57888286817952 (1.62576e-06% change) linmin: converged after 18 iterations. iteration 383: trace = 2.578882858838719 (3.62203e-07% change) large trace change predicted (1.10116e-06%) linmin: converged after 14 iterations. iteration 384: trace = 2.578882830442491 (1.10111e-06% change) linmin: converged after 35 iterations. iteration 385: trace = 2.578882802410506 (1.08698e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.578882784966687 (6.7641e-07% change) linmin: converged after 5 iterations. iteration 387: trace = 2.578882767429097 (6.80046e-07% change) linmin: converged after 14 iterations. iteration 388: trace = 2.578882733287546 (1.32389e-06% change) linmin: converged after 4 iterations. iteration 389: trace = 2.57888272132615 (4.63821e-07% change) large trace change predicted (1.42871e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882684481917 (1.42869e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.578882658808092 (9.95541e-07% change) linmin: converged after 3 iterations. iteration 392: trace = 2.578882642954935 (6.1473e-07% change) linmin: converged after 3 iterations. iteration 393: trace = 2.578882616553765 (1.02374e-06% change) linmin: converged after 8 iterations. iteration 394: trace = 2.578882587926257 (1.11007e-06% change) linmin: converged after 5 iterations. iteration 395: trace = 2.578882573063998 (5.76306e-07% change) large trace change predicted (1.47032e-06%) linmin: converged after 2 iterations. iteration 396: trace = 2.578882535145632 (1.47034e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.578882526245823 (3.45103e-07% change) large trace change predicted (1.08143e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.57888249835706 (1.08143e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882465578491 (1.27104e-06% change) linmin: converged after 19 iterations. iteration 400: trace = 2.578882448731245 (6.53277e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.578882415744254 (1.27912e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.578882383822383 (1.23782e-06% change) linmin: converged after 13 iterations. iteration 403: trace = 2.57888237186781 (4.63556e-07% change) large trace change predicted (1.08975e-06%) linmin: converged after 11 iterations. iteration 404: trace = 2.578882343763326 (1.08979e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.578882322723003 (8.1587e-07% change) linmin: converged after 22 iterations. iteration 406: trace = 2.578882314178037 (3.31344e-07% change) large trace change predicted (9.95795e-07%) linmin: converged after 8 iterations. iteration 407: trace = 2.578882288497162 (9.95814e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.578882274931218 (5.2604e-07% change) linmin: converged after 7 iterations. iteration 409: trace = 2.578882262988782 (4.63086e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882241085648 (8.49327e-07% change) linmin: converged after 5 iterations. iteration 411: trace = 2.578882235455017 (2.18336e-07% change) large trace change predicted (7.39992e-07%) linmin: converged after 3 iterations. iteration 412: trace = 2.578882216371586 (7.39988e-07% change) linmin: converged after 3 iterations. iteration 413: trace = 2.578882192306764 (9.33149e-07% change) linmin: converged after 5 iterations. iteration 414: trace = 2.578882185166103 (2.7689e-07% change) large trace change predicted (6.0813e-07%) linmin: converged after 20 iterations. iteration 415: trace = 2.578882169483405 (6.0812e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882156093668 (5.19207e-07% change) linmin: converged after 4 iterations. iteration 417: trace = 2.578882148049813 (3.11912e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.578882138332705 (3.76795e-07% change) large trace change predicted (4.10231e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.57888203255024 (4.10187e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 420: trace = 2.578882001414857 (1.20732e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.57888198168971 (7.64872e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.578881974277851 (2.87406e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.578881962864237 (4.4258e-07% change) linmin: converged after 3 iterations. iteration 424: trace = 2.578881955412863 (2.88938e-07% change) linmin: converged after 11 iterations. iteration 425: trace = 2.578881952599149 (1.09106e-07% change) large trace change predicted (4.08628e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578881942061155 (4.08626e-07% change) linmin: converged after 7 iterations. iteration 427: trace = 2.578881935946643 (2.37099e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.578881933220652 (1.05704e-07% change) large trace change predicted (2.853e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.578881925863133 (2.85299e-07% change) linmin: converged after 5 iterations. iteration 430: trace = 2.578881918861035 (2.71517e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.578881915686762 (1.23087e-07% change) large trace change predicted (4.42272e-07%) linmin: converged after 4 iterations. iteration 432: trace = 2.578881904281187 (4.42268e-07% change) linmin: converged after 11 iterations. iteration 433: trace = 2.57888189922615 (1.96017e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.578881893089352 (2.37963e-07% change) linmin: converged after 5 iterations. iteration 435: trace = 2.578881886221618 (2.66307e-07% change) linmin: converged after 6 iterations. iteration 436: trace = 2.578881882795108 (1.32868e-07% change) large trace change predicted (2.82053e-07%) linmin: converged after 12 iterations. iteration 437: trace = 2.578881875521383 (2.8205e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.578881866718654 (3.41339e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881863079233 (1.41124e-07% change) large trace change predicted (3.17561e-07%) linmin: converged after 3 iterations. iteration 440: trace = 2.578881854889808 (3.17557e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.578881849411369 (2.12435e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881843615585 (2.2474e-07% change) linmin: converged after 8 iterations. iteration 443: trace = 2.578881834950654 (3.35996e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881830311306 (1.79898e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.578881828375051 (7.50812e-08% change) large trace change predicted (1.93627e-07%) linmin: converged after 3 iterations. iteration 446: trace = 2.578881823381663 (1.93626e-07% change) linmin: converged after 7 iterations. iteration 447: trace = 2.578881818911962 (1.73319e-07% change) linmin: converged after 16 iterations. iteration 448: trace = 2.578881816939237 (7.64954e-08% change) large trace change predicted (1.68541e-07%) linmin: converged after 2 iterations. iteration 449: trace = 2.578881812592749 (1.68542e-07% change) linmin: converged after 13 iterations. iteration 450: trace = 2.57888180998494 (1.01122e-07% change) linmin: converged after 2 iterations. iteration 451: trace = 2.578881806387408 (1.395e-07% change) linmin: converged after 2 iterations. iteration 452: trace = 2.578881801702745 (1.81655e-07% change) linmin: converged after 4 iterations. iteration 453: trace = 2.578881800532051 (4.53954e-08% change) large trace change predicted (1.45438e-07%) linmin: converged after 7 iterations. iteration 454: trace = 2.578881796781342 (1.45439e-07% change) linmin: converged after 2 iterations. iteration 455: trace = 2.57888179405486 (1.05723e-07% change) linmin: converged after 18 iterations. iteration 456: trace = 2.578881790709824 (1.29709e-07% change) linmin: converged after 6 iterations. iteration 457: trace = 2.578881786616718 (1.58716e-07% change) linmin: converged after 25 iterations. iteration 458: trace = 2.578881784182502 (9.43903e-08% change) linmin: converged after 13 iterations. iteration 459: trace = 2.578881782697347 (5.75891e-08% change) large trace change predicted (1.85288e-07%) linmin: converged after 20 iterations. iteration 460: trace = 2.578881777918918 (1.85291e-07% change) linmin: converged after 2 iterations. iteration 461: trace = 2.578881776055878 (7.22422e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881772340515 (1.44069e-07% change) linmin: converged after 10 iterations. iteration 463: trace = 2.578881768909506 (1.33042e-07% change) linmin: converged after 3 iterations. iteration 464: trace = 2.578881766121611 (1.08105e-07% change) linmin: converged after 17 iterations. iteration 465: trace = 2.578881764451818 (6.47487e-08% change) large trace change predicted (1.6705e-07%) linmin: converged after 4 iterations. iteration 466: trace = 2.578881760143803 (1.6705e-07% change) linmin: converged after 7 iterations. iteration 467: trace = 2.578881759396851 (2.89642e-08% change) large trace change predicted (1.39554e-07%) linmin: converged after 7 iterations. iteration 468: trace = 2.57888175579796 (1.39552e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.578881753502724 (8.90012e-08% change) linmin: converged after 6 iterations. iteration 470: trace = 2.578881751530404 (7.64797e-08% change) large trace change predicted (1.64211e-07%) linmin: converged after 12 iterations. iteration 471: trace = 2.578881747295646 (1.64209e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.578881744437918 (1.10813e-07% change) linmin: converged after 14 iterations. iteration 473: trace = 2.578881743681069 (2.93479e-08% change) large trace change predicted (9.12322e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.578881741328326 (9.12311e-08% change) linmin: converged after 7 iterations. iteration 475: trace = 2.578881738765879 (9.93627e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881737927481 (3.25101e-08% change) large trace change predicted (1.02946e-07%) linmin: converged after 4 iterations. iteration 477: trace = 2.578881735272673 (1.02944e-07% change) linmin: converged after 7 iterations. iteration 478: trace = 2.578881733494461 (6.89528e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.578881732930764 (2.18582e-08% change) large trace change predicted (8.73871e-08%) linmin: converged after 7 iterations. iteration 480: trace = 2.578881730677189 (8.73858e-08% change) linmin: converged after 10 iterations. iteration 481: trace = 2.578881729820675 (3.32126e-08% change) linmin: converged after 9 iterations. iteration 482: trace = 2.578881728681377 (4.4178e-08% change) large trace change predicted (9.04282e-08%) linmin: converged after 3 iterations. iteration 483: trace = 2.578881726349349 (9.04279e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.578881725726397 (2.41559e-08% change) large trace change predicted (7.02151e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.578881723915634 (7.02151e-08% change) linmin: converged after 4 iterations. iteration 486: trace = 2.578881722615295 (5.04226e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.578881722206721 (1.58431e-08% change) large trace change predicted (3.6933e-08%) linmin: converged after 2 iterations. iteration 488: trace = 2.57888172125426 (3.69331e-08% change) linmin: converged after 13 iterations. iteration 489: trace = 2.578881719585277 (6.47173e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.57888171888873 (2.70097e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.578881718084623 (3.11805e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881717604491 (1.86178e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881717004805 (2.32537e-08% change) linmin: converged after 3 iterations. iteration 494: trace = 2.578881715921646 (4.20011e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.57888171558842 (1.29214e-08% change) large trace change predicted (5.08189e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.578881714277853 (5.08192e-08% change) linmin: converged after 23 iterations. iteration 497: trace = 2.578881713204562 (4.16185e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881712762302 (1.71493e-08% change) large trace change predicted (4.78776e-08%) linmin: converged after 8 iterations. iteration 499: trace = 2.578881711527581 (4.78782e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.578881710974068 (2.14633e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.578881710025923 (3.67657e-08% change) linmin: converged after 24 iterations. iteration 502: trace = 2.57888170888197 (4.43585e-08% change) linmin: converged after 3 iterations. iteration 503: trace = 2.578881708510016 (1.44231e-08% change) large trace change predicted (5.61478e-08%) linmin: converged after 13 iterations. iteration 504: trace = 2.578881707062016 (5.61483e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881706093314 (3.75629e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.578881705717529 (1.45717e-08% change) large trace change predicted (5.93041e-08%) linmin: converged after 7 iterations. iteration 507: trace = 2.578881704188132 (5.93047e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881702874284 (5.09464e-08% change) linmin: converged after 9 iterations. iteration 509: trace = 2.578881702043305 (3.22224e-08% change) linmin: converged after 33 iterations. iteration 510: trace = 2.578881700506313 (5.95992e-08% change) linmin: converged after 8 iterations. iteration 511: trace = 2.578881698856581 (6.39708e-08% change) linmin: converged after 25 iterations. iteration 512: trace = 2.578881698305443 (2.13712e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881697318028 (3.82885e-08% change) linmin: converged after 6 iterations. iteration 514: trace = 2.578881696453907 (3.35076e-08% change) linmin: converged after 24 iterations. iteration 515: trace = 2.578881696040486 (1.6031e-08% change) large trace change predicted (3.3052e-08%) linmin: converged after 19 iterations. iteration 516: trace = 2.578881695188117 (3.30519e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881694077508 (4.30655e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881693851104 (8.77916e-09% change) large trace change predicted (3.4599e-08%) linmin: converged after 5 iterations. iteration 519: trace = 2.578881692958843 (3.45988e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.578881691965827 (3.85057e-08% change) linmin: converged after 18 iterations. iteration 521: trace = 2.578881691714425 (9.74847e-09% change) large trace change predicted (2.56216e-08%) linmin: converged after 6 iterations. iteration 522: trace = 2.578881691053676 (2.56216e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.57888169029596 (2.93816e-08% change) linmin: converged after 3 iterations. iteration 524: trace = 2.578881690098096 (7.67245e-09% change) large trace change predicted (3.62996e-08%) linmin: converged after 4 iterations. iteration 525: trace = 2.578881689161979 (3.62994e-08% change) linmin: converged after 3 iterations. iteration 526: trace = 2.578881688581245 (2.25188e-08% change) linmin: converged after 30 iterations. iteration 527: trace = 2.578881688348686 (9.0178e-09% change) large trace change predicted (2.9535e-08%) linmin: converged after 3 iterations. iteration 528: trace = 2.578881687587014 (2.9535e-08% change) linmin: converged after 5 iterations. iteration 529: trace = 2.578881686716563 (3.37531e-08% change) linmin: converged after 2 iterations. iteration 530: trace = 2.578881686421467 (1.14428e-08% change) large trace change predicted (3.29164e-08%) linmin: converged after 2 iterations. iteration 531: trace = 2.578881685572594 (3.29163e-08% change) linmin: converged after 4 iterations. iteration 532: trace = 2.578881685309287 (1.02101e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881684861761 (1.73535e-08% change) linmin: converged after 4 iterations. iteration 534: trace = 2.578881683985564 (3.39758e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.578881683754606 (8.95576e-09% change) large trace change predicted (2.36327e-08%) linmin: converged after 4 iterations. iteration 536: trace = 2.57888168314514 (2.36329e-08% change) linmin: converged after 10 iterations. iteration 537: trace = 2.578881682571086 (2.22598e-08% change) linmin: converged after 13 iterations. iteration 538: trace = 2.578881682368509 (7.85523e-09% change) large trace change predicted (2.28578e-08%) linmin: converged after 27 iterations. iteration 539: trace = 2.578881681779028 (2.2858e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881680797204 (3.80717e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.578881680612665 (7.15578e-09% change) large trace change predicted (2.58063e-08%) linmin: converged after 4 iterations. iteration 542: trace = 2.578881679947155 (2.58062e-08% change) linmin: converged after 4 iterations. iteration 543: trace = 2.578881679399616 (2.12316e-08% change) linmin: converged after 16 iterations. iteration 544: trace = 2.578881679234923 (6.38621e-09% change) large trace change predicted (1.8202e-08%) linmin: converged after 4 iterations. iteration 545: trace = 2.578881678765514 (1.8202e-08% change) linmin: converged after 8 iterations. iteration 546: trace = 2.578881678225997 (2.09206e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881677957258 (1.04207e-08% change) linmin: converged after 3 iterations. iteration 548: trace = 2.578881677551496 (1.57341e-08% change) linmin: converged after 8 iterations. iteration 549: trace = 2.578881677156865 (1.53024e-08% change) linmin: converged after 9 iterations. iteration 550: trace = 2.578881677012285 (5.6063e-09% change) large trace change predicted (1.24192e-08%) linmin: converged after 25 iterations. iteration 551: trace = 2.578881676692006 (1.24193e-08% change) linmin: converged after 25 iterations. iteration 552: trace = 2.578881676201708 (1.9012e-08% change) linmin: converged after 5 iterations. iteration 553: trace = 2.578881676070328 (5.09447e-09% change) large trace change predicted (2.11621e-08%) linmin: converged after 7 iterations. iteration 554: trace = 2.578881675524583 (2.11621e-08% change) linmin: converged after 8 iterations. iteration 555: trace = 2.578881675290996 (9.05768e-09% change) linmin: converged after 22 iterations. iteration 556: trace = 2.578881675180982 (4.26597e-09% change) large trace change predicted (1.61602e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674764232 (1.61601e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674334009 (1.66825e-08% change) large trace change predicted (3.52697e-08%) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673424452 (3.52694e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.578881672880023 (2.1111e-08% change) linmin: converged after 5 iterations. iteration 561: trace = 2.578881672680256 (7.74626e-09% change) linmin: converged after 25 iterations. iteration 562: trace = 2.578881672362635 (1.23162e-08% change) linmin: converged after 19 iterations. iteration 563: trace = 2.578881672284253 (3.03939e-09% change) linmin: converged after 2 iterations. iteration 564: trace = 2.578881672129735 (5.99167e-09% change) linmin: converged after 17 iterations. iteration 565: trace = 2.578881671925359 (7.92497e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.57888167184932 (2.94855e-09% change) large trace change predicted (8.93328e-09%) linmin: converged after 24 iterations. iteration 567: trace = 2.578881671618939 (8.93335e-09% change) linmin: converged after 22 iterations. iteration 568: trace = 2.578881671439694 (6.9505e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881671390202 (1.91914e-09% change) large trace change predicted (8.98693e-09%) linmin: converged after 5 iterations. iteration 570: trace = 2.578881671158436 (8.98706e-09% change) linmin: converged after 16 iterations. iteration 571: trace = 2.578881671023423 (5.23534e-09% change) linmin: converged after 23 iterations. iteration 572: trace = 2.578881670886128 (5.3238e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.57888167061433 (1.05394e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.57888167047332 (5.4679e-09% change) linmin: converged after 2 iterations. iteration 575: trace = 2.578881670382614 (3.51723e-09% change) large trace change predicted (9.72658e-09%) linmin: converged after 4 iterations. iteration 576: trace = 2.578881670131778 (9.72653e-09% change) linmin: converged after 2 iterations. iteration 577: trace = 2.57888167005623 (2.92949e-09% change) large trace change predicted (8.33047e-09%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881669841399 (8.3304e-09% change) linmin: converged after 16 iterations. iteration 579: trace = 2.578881669671451 (6.58999e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881669616973 (2.11247e-09% change) large trace change predicted (7.63815e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.578881669419995 (7.63812e-09% change) linmin: converged after 3 iterations. iteration 582: trace = 2.578881669253416 (6.45934e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669214003 (1.52829e-09% change) large trace change predicted (3.75678e-09%) linmin: converged after 19 iterations. iteration 584: trace = 2.578881669117119 (3.75683e-09% change) linmin: converged after 21 iterations. iteration 585: trace = 2.578881668988493 (4.98767e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.578881668925138 (2.45667e-09% change) linmin: converged after 13 iterations. iteration 587: trace = 2.578881668828271 (3.75618e-09% change) linmin: converged after 17 iterations. iteration 588: trace = 2.578881668704732 (4.79039e-09% change) linmin: converged after 14 iterations. iteration 589: trace = 2.578881668664982 (1.54138e-09% change) large trace change predicted (5.54873e-09%) linmin: converged after 5 iterations. iteration 590: trace = 2.578881668521888 (5.54868e-09% change) linmin: converged after 15 iterations. iteration 591: trace = 2.578881668383914 (5.35017e-09% change) linmin: converged after 7 iterations. iteration 592: trace = 2.578881668294432 (3.46977e-09% change) linmin: converged after 19 iterations. iteration 593: trace = 2.578881668237628 (2.20267e-09% change) large trace change predicted (5.03978e-09%) linmin: converged after 6 iterations. iteration 594: trace = 2.578881668107656 (5.03986e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.578881668073455 (1.32618e-09% change) large trace change predicted (3.65727e-09%) linmin: converged after 6 iterations. iteration 596: trace = 2.578881667979138 (3.6573e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881667875772 (4.00818e-09% change) linmin: converged after 18 iterations. iteration 598: trace = 2.578881667853007 (8.82743e-10% change) large trace change predicted (4.69625e-09%) linmin: converged after 4 iterations. iteration 599: trace = 2.578881667731894 (4.69632e-09% change) linmin: converged after 12 iterations. iteration 600: trace = 2.578881667641204 (3.51666e-09% change) linmin: converged after 4 iterations. iteration 601: trace = 2.578881667613043 (1.09197e-09% change) large trace change predicted (2.753e-09%) linmin: converged after 4 iterations. iteration 602: trace = 2.578881667542047 (2.75296e-09% change) linmin: converged after 12 iterations. iteration 603: trace = 2.578881667459425 (3.20381e-09% change) linmin: converged after 14 iterations. iteration 604: trace = 2.578881667444047 (5.96319e-10% change) large trace change predicted (3.19409e-09%) linmin: converged after 17 iterations. iteration 605: trace = 2.578881667361677 (3.19401e-09% change) linmin: converged after 17 iterations. iteration 606: trace = 2.578881667305295 (2.18628e-09% change) linmin: converged after 15 iterations. iteration 607: trace = 2.578881667282311 (8.91267e-10% change) large trace change predicted (2.90575e-09%) linmin: converged after 4 iterations. iteration 608: trace = 2.578881667207375 (2.90576e-09% change) linmin: converged after 3 iterations. iteration 609: trace = 2.578881667147459 (2.32332e-09% change) linmin: converged after 9 iterations. iteration 610: trace = 2.578881667088488 (2.28669e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.578881666998828 (3.47671e-09% change) linmin: converged after 5 iterations. iteration 612: trace = 2.578881666926084 (2.82076e-09% change) linmin: converged after 6 iterations. iteration 613: trace = 2.57888166690396 (8.5786e-10% change) large trace change predicted (2.43285e-09%) linmin: converged after 2 iterations. iteration 614: trace = 2.57888166684122 (2.43287e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.57888166677574 (2.53905e-09% change) linmin: converged after 4 iterations. iteration 616: trace = 2.578881666757212 (7.18462e-10% change) large trace change predicted (2.50814e-09%) linmin: converged after 10 iterations. iteration 617: trace = 2.57888166669253 (2.50813e-09% change) linmin: converged after 6 iterations. iteration 618: trace = 2.578881666651681 (1.584e-09% change) linmin: converged after 15 iterations. iteration 619: trace = 2.578881666633528 (7.03911e-10% change) large trace change predicted (1.83281e-09%) linmin: converged after 18 iterations. iteration 620: trace = 2.578881666586263 (1.83275e-09% change) linmin: converged after 3 iterations. iteration 621: trace = 2.57888166653182 (2.11111e-09% change) linmin: converged after 12 iterations. iteration 622: trace = 2.578881666519719 (4.69251e-10% change) large trace change predicted (1.63917e-09%) linmin: converged after 13 iterations. iteration 623: trace = 2.57888166647745 (1.63906e-09% change) linmin: converged after 18 iterations. iteration 624: trace = 2.578881666465879 (4.48673e-10% change) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666443046 (8.85395e-10% change) linmin: converged after 15 iterations. iteration 626: trace = 2.578881666412798 (1.17289e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666407355 (2.11086e-10% change) large trace change predicted (7.81056e-10%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666387216 (7.8092e-10% change) linmin: converged after 5 iterations. iteration 629: trace = 2.578881666359142 (1.08859e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.578881666343821 (5.94098e-10% change) linmin: converged after 10 iterations. iteration 631: trace = 2.57888166633352 (3.9944e-10% change) linmin: converged after 14 iterations. iteration 632: trace = 2.578881666315105 (7.14071e-10% change) linmin: converged after 15 iterations. iteration 633: trace = 2.578881666302706 (4.80789e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666287663 (5.83318e-10% change) linmin: converged after 7 iterations. iteration 635: trace = 2.578881666262296 (9.83636e-10% change) linmin: converged after 9 iterations. iteration 636: trace = 2.578881666237984 (9.42738e-10% change) linmin: converged after 6 iterations. iteration 637: trace = 2.578881666228343 (3.73851e-10% change) large trace change predicted (1.48265e-09%) linmin: converged after 11 iterations. iteration 638: trace = 2.578881666190106 (1.48268e-09% change) linmin: converged after 7 iterations. iteration 639: trace = 2.578881666181165 (3.46695e-10% change) large trace change predicted (1.36478e-09%) linmin: converged after 5 iterations. iteration 640: trace = 2.578881666145971 (1.3647e-09% change) linmin: converged after 3 iterations. iteration 641: trace = 2.578881666122883 (8.95279e-10% change) linmin: converged after 15 iterations. iteration 642: trace = 2.578881666109266 (5.28024e-10% change) large trace change predicted (1.20858e-09%) linmin: converged after 4 iterations. iteration 643: trace = 2.578881666078096 (1.20865e-09% change) linmin: converged after 16 iterations. iteration 644: trace = 2.578881666054388 (9.19319e-10% change) linmin: converged after 10 iterations. iteration 645: trace = 2.578881666031477 (8.88409e-10% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881665998045 (1.29639e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665981172 (6.54282e-10% change) linmin: converged after 9 iterations. iteration 648: trace = 2.578881665954198 (1.04592e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881665913589 (1.57469e-09% change) linmin: converged after 7 iterations. iteration 650: trace = 2.578881665902702 (4.22154e-10% change) large trace change predicted (1.1464e-09%) linmin: converged after 6 iterations. iteration 651: trace = 2.578881665873137 (1.14642e-09% change) linmin: converged after 18 iterations. iteration 652: trace = 2.578881665839885 (1.28942e-09% change) linmin: converged after 15 iterations. iteration 653: trace = 2.578881665830862 (3.49881e-10% change) linmin: converged after 2 iterations. iteration 654: trace = 2.578881665817207 (5.29487e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665794501 (8.8047e-10% change) linmin: converged after 4 iterations. iteration 656: trace = 2.578881665787002 (2.90781e-10% change) large trace change predicted (7.61912e-10%) linmin: converged after 9 iterations. iteration 657: trace = 2.578881665767358 (7.61737e-10% change) linmin: converged after 3 iterations. iteration 658: trace = 2.578881665742176 (9.76438e-10% change) linmin: converged after 7 iterations. iteration 659: trace = 2.578881665722106 (7.78251e-10% change) linmin: converged after 10 iterations. iteration 660: trace = 2.578881665715547 (2.54343e-10% change) large trace change predicted (1.06009e-09%) linmin: converged after 10 iterations. iteration 661: trace = 2.57888166568821 (1.06003e-09% change) linmin: converged after 15 iterations. iteration 662: trace = 2.578881665671198 (6.59672e-10% change) linmin: converged after 5 iterations. iteration 663: trace = 2.578881665661258 (3.8544e-10% change) linmin: converged after 5 iterations. iteration 664: trace = 2.578881665642224 (7.38076e-10% change) linmin: converged after 6 iterations. iteration 665: trace = 2.578881665620788 (8.3122e-10% change) linmin: converged after 8 iterations. iteration 666: trace = 2.578881665613722 (2.73991e-10% change) large trace change predicted (8.01187e-10%) linmin: converged after 12 iterations. iteration 667: trace = 2.578881665593063 (8.01085e-10% change) linmin: converged after 9 iterations. iteration 668: trace = 2.578881665570797 (8.63388e-10% change) linmin: converged after 6 iterations. iteration 669: trace = 2.578881665562785 (3.1067e-10% change) large trace change predicted (6.48335e-10%) linmin: converged after 14 iterations. iteration 670: trace = 2.578881665546068 (6.48238e-10% change) linmin: converged after 2 iterations. iteration 671: trace = 2.578881665528613 (6.76841e-10% change) linmin: converged after 5 iterations. iteration 672: trace = 2.578881665523364 (2.03543e-10% change) large trace change predicted (5.97932e-10%) linmin: converged after 5 iterations. iteration 673: trace = 2.578881665507944 (5.97921e-10% change) linmin: converged after 9 iterations. iteration 674: trace = 2.578881665493631 (5.55025e-10% change) linmin: converged after 6 iterations. iteration 675: trace = 2.57888166548984 (1.47009e-10% change) large trace change predicted (3.77037e-10%) linmin: converged after 6 iterations. iteration 676: trace = 2.578881665480119 (3.76916e-10% change) linmin: converged after 5 iterations. iteration 677: trace = 2.578881665464972 (5.87365e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665461953 (1.1708e-10% change) large trace change predicted (6.74851e-10%) linmin: converged after 4 iterations. iteration 679: trace = 2.578881665444547 (6.74912e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665429346 (5.89466e-10% change) linmin: converged after 7 iterations. iteration 681: trace = 2.578881665423999 (2.07349e-10% change) large trace change predicted (5.60156e-10%) linmin: converged after 5 iterations. iteration 682: trace = 2.578881665409554 (5.60122e-10% change) linmin: converged after 3 iterations. iteration 683: trace = 2.578881665396096 (5.21824e-10% change) linmin: converged after 3 iterations. iteration 684: trace = 2.57888166539108 (1.94502e-10% change) large trace change predicted (6.56312e-10%) linmin: converged after 16 iterations. iteration 685: trace = 2.578881665374154 (6.56332e-10% change) linmin: converged after 7 iterations. iteration 686: trace = 2.578881665363821 (4.00697e-10% change) linmin: converged after 9 iterations. iteration 687: trace = 2.578881665358802 (1.94606e-10% change) large trace change predicted (4.55198e-10%) linmin: converged after 10 iterations. iteration 688: trace = 2.578881665347064 (4.55182e-10% change) linmin: converged after 4 iterations. iteration 689: trace = 2.578881665336897 (3.94223e-10% change) linmin: converged after 16 iterations. iteration 690: trace = 2.578881665333923 (1.15324e-10% change) large trace change predicted (3.39979e-10%) linmin: converged after 4 iterations. iteration 691: trace = 2.578881665325157 (3.3991e-10% change) linmin: converged after 4 iterations. iteration 692: trace = 2.578881665316311 (3.43027e-10% change) linmin: converged after 6 iterations. iteration 693: trace = 2.578881665313618 (1.04406e-10% change) large trace change predicted (2.96526e-10%) linmin: converged after 7 iterations. iteration 694: trace = 2.57888166530597 (2.96567e-10% change) linmin: converged after 6 iterations. iteration 695: trace = 2.578881665298785 (2.78606e-10% change) linmin: converged after 7 iterations. iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 7.066835165023804 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311410172535 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853103981993 (0.601528% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444441749315 (0.566464% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059546823127 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 7 iterations. iteration 5: trace = 2.697340830608071 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429760772978 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690564093613 (0.176043% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920542952841 (0.177502% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317568732568 (0.0597207% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110892691566 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993858887157 (0.0416873% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047331401911 (0.0726853% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749424417922 (0.0484945% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253258988021 (0.0185448% change) large trace change predicted (0.068996%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346651688732 (0.0668101% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597464826754 (0.0325118% change) large trace change predicted (0.0848744%) linmin: converged after 8 iterations. iteration 17: trace = 2.670556083231295 (0.0764111% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703646499506 (0.0319249% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900101656904 (0.0301032% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441533479629 (0.0171834% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894062344125 (0.0205186% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712188808791 (0.00681735% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380419114014 (0.0124373% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218855539889 (0.0060572% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847521292431 (0.0139231% change) linmin: converged after 3 iterations. iteration 26: trace = 2.6667143800038 (0.00499258% change) large trace change predicted (0.0115123%) linmin: converged after 4 iterations. iteration 27: trace = 2.66640781126585 (0.0114968% change) linmin: converged after 11 iterations. iteration 28: trace = 2.666220086697824 (0.0070406% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972895818446 (0.00927164% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665788972806222 (0.00689915% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603882228924 (0.00694342% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322188329073 (0.0105683% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175158192592 (0.00551656% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933715828463 (0.00905957% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826780090388 (0.00401278% change) large trace change predicted (0.00927276%) linmin: converged after 4 iterations. iteration 36: trace = 2.66457547825066 (0.00943077% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485881232104 (0.00336258% change) large trace change predicted (0.00824578%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263025652231 (0.00836427% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167506728726 (0.00358526% change) large trace change predicted (0.00963708%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907469075595 (0.00976104% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804843372543 (0.00385252% change) large trace change predicted (0.0104144%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525567935192 (0.0104846% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401433118001 (0.00466065% change) large trace change predicted (0.00944252%) linmin: converged after 4 iterations. iteration 44: trace = 2.663148934646257 (0.00948075% change) linmin: converged after 5 iterations. iteration 45: trace = 2.663044722878014 (0.00391318% change) large trace change predicted (0.00794065%) linmin: converged after 6 iterations. iteration 46: trace = 2.662833185848342 (0.00794374% change) linmin: converged after 7 iterations. iteration 47: trace = 2.662716651292053 (0.00437643% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492747508043 (0.0084092% change) linmin: converged after 4 iterations. iteration 49: trace = 2.662363037863714 (0.00487186% change) linmin: converged after 4 iterations. iteration 50: trace = 2.662194241317517 (0.0063403% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058110012701 (0.00511363% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879837579253 (0.00669701% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724274974738 (0.00584426% change) linmin: converged after 3 iterations. iteration 54: trace = 2.661571455766341 (0.00574153% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350484327378 (0.00830264% change) linmin: converged after 4 iterations. iteration 56: trace = 2.6611907399719 (0.00600256% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967561304287 (0.00838677% change) linmin: converged after 5 iterations. iteration 58: trace = 2.66084913615252 (0.00445055% change) large trace change predicted (0.00999701%) linmin: converged after 4 iterations. iteration 59: trace = 2.660585993234703 (0.00988992% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492776586203 (0.00350367% change) large trace change predicted (0.00837954%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271581660874 (0.0083144% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168609590275 (0.00387081% change) large trace change predicted (0.0102888%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896367675257 (0.0102345% change) linmin: converged after 3 iterations. iteration 64: trace = 2.659777297611458 (0.00447659% change) linmin: converged after 4 iterations. iteration 65: trace = 2.659570122497851 (0.00778949% change) linmin: converged after 4 iterations. iteration 66: trace = 2.659406458669784 (0.00615396% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264246045999 (0.00534768% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119260361261 (0.00545225% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023749085827 (0.0035919% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.65891569687871 (0.00406369% change) large trace change predicted (0.0163852%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478029559357 (0.0164617% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118864432807 (0.0135111% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882808808801 (0.00888095% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598191615639 (0.010709% change) linmin: converged after 3 iterations. iteration 75: trace = 2.65754141878134 (0.00213627% change) large trace change predicted (0.00463006%) linmin: converged after 3 iterations. iteration 76: trace = 2.6574181599615 (0.00463818% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346029134954 (0.00271436% change) linmin: converged after 4 iterations. iteration 78: trace = 2.657324623641427 (0.000805525% change) large trace change predicted (0.00211714%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268244732419 (0.00212166% change) linmin: converged after 4 iterations. iteration 80: trace = 2.657245571948162 (0.00085324% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219519060036 (0.000980452% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182540698972 (0.00139163% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167952997687 (0.000548993% change) large trace change predicted (0.00207297%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112818408914 (0.00207496% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657051996839505 (0.00228904% change) linmin: converged after 4 iterations. iteration 86: trace = 2.65701749848855 (0.00129838% change) large trace change predicted (0.00419276%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905828655492 (0.00420291% change) linmin: converged after 5 iterations. iteration 88: trace = 2.656840696939022 (0.00245144% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716135156853 (0.00468845% change) linmin: converged after 4 iterations. iteration 90: trace = 2.656564648783219 (0.00570218% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504293119446 (0.00227197% change) large trace change predicted (0.00808399%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289710721658 (0.00807795% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193398884594 (0.00362587% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063303563878 (0.00489793% change) linmin: converged after 4 iterations. iteration 95: trace = 2.65588978810328 (0.00653302% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839026062192 (0.00191132% change) large trace change predicted (0.00421328%) linmin: converged after 4 iterations. iteration 97: trace = 2.655727133042021 (0.00421318% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616063930675 (0.00418234% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571094945199 (0.00169337% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503705479084 (0.0025377% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488873170593 (0.000558551% change) large trace change predicted (0.00182285%) linmin: converged after 4 iterations. iteration 102: trace = 2.655440488909325 (0.00182206% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383123394544 (0.00216032% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357411136051 (0.000968312% change) large trace change predicted (0.00357609%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262405601 (0.00357795% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229505066107 (0.00123908% change) large trace change predicted (0.00270573%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157599236592 (0.00270812% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030881092197 (0.00477264% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980391165855 (0.00190169% change) large trace change predicted (0.00534938%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838247825655 (0.00535398% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712126604666 (0.00475073% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658435472756 (0.0020225% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566797648508 (0.00345202% change) linmin: converged after 5 iterations. iteration 114: trace = 2.654539465977521 (0.00102961% change) large trace change predicted (0.00383317%) linmin: converged after 3 iterations. iteration 115: trace = 2.654437740028257 (0.00383222% change) linmin: converged after 13 iterations. iteration 116: trace = 2.65436452799665 (0.00275814% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340158878017 (0.000918082% change) large trace change predicted (0.00275112%) linmin: converged after 4 iterations. iteration 118: trace = 2.654267180109325 (0.00274945% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255143822632 (0.00045347% change) large trace change predicted (0.00136357%) linmin: converged after 8 iterations. iteration 120: trace = 2.654218969640244 (0.00136288% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200850635746 (0.000682652% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193372526644 (0.000281747% change) large trace change predicted (0.000758505%) linmin: converged after 4 iterations. iteration 123: trace = 2.654173241575085 (0.000758461% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167273712889 (0.000224849% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157909158193 (0.000352825% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147418774747 (0.000395244% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143555327086 (0.000145563% change) large trace change predicted (0.000376651%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133558239182 (0.00037666% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120959872817 (0.000474671% change) linmin: converged after 21 iterations. iteration 130: trace = 2.654109179577582 (0.00044385% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085868645411 (0.0008783% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077836153245 (0.000302647% change) large trace change predicted (0.000990896%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051522513667 (0.000991447% change) linmin: converged after 3 iterations. iteration 134: trace = 2.654040114299677 (0.000429842% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033606051378 (0.000245221% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022205557455 (0.000429554% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018098603656 (0.000154745% change) large trace change predicted (0.000481156%) linmin: converged after 5 iterations. iteration 138: trace = 2.654005327795167 (0.000481189% change) linmin: converged after 3 iterations. iteration 139: trace = 2.653997021399157 (0.000312976% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995080608912 (7.31271e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.653992464817057 (9.85606e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.65399014967916 (8.72323e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988580944425 (5.91086e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.653985739809346 (0.000107052% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984641152611 (4.13965e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.653982736506997 (7.17655e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.653979596551558 (0.000118311% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979052575707 (2.04966e-05% change) large trace change predicted (9.46882e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976539466266 (9.46922e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975151881646 (5.22832e-05% change) linmin: converged after 5 iterations. iteration 151: trace = 2.653973691954598 (5.50091e-05% change) large trace change predicted (0.000111661%) linmin: converged after 3 iterations. iteration 152: trace = 2.653970728523313 (0.00011166% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968438090717 (8.63021e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966784561564 (6.2304e-05% change) large trace change predicted (0.000206075%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961315079321 (0.000206087% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959584120117 (6.52217e-05% change) large trace change predicted (0.000249312%) linmin: converged after 3 iterations. iteration 157: trace = 2.65395296754646 (0.00024931% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947560836003 (0.000203723% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944309648854 (0.000122504% change) large trace change predicted (0.000321213%) linmin: converged after 4 iterations. iteration 160: trace = 2.65393578269613 (0.000321294% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926965929053 (0.000332215% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925360915887 (6.04769e-05% change) large trace change predicted (0.000210665%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919769468554 (0.000210686% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917949358118 (6.8582e-05% change) linmin: converged after 8 iterations. iteration 165: trace = 2.653915873877871 (7.82044e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.653913454543818 (9.1161e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912730379727 (2.72867e-05% change) large trace change predicted (0.00010043%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910064827467 (0.000100439% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908234667604 (6.89609e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907652618004 (2.19318e-05% change) large trace change predicted (7.38625e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905692644661 (7.38524e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.653904098895143 (6.0053e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903597632391 (1.88878e-05% change) large trace change predicted (6.97881e-05%) linmin: converged after 5 iterations. iteration 174: trace = 2.653901745726903 (6.97805e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900307126863 (5.4207e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899658444773 (2.44426e-05% change) large trace change predicted (8.21584e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897478275626 (8.21497e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894782819264 (0.000101566% change) linmin: converged after 31 iterations. iteration 179: trace = 2.653893723787848 (3.99048e-05% change) large trace change predicted (0.000173279%) linmin: converged after 5 iterations. iteration 180: trace = 2.653889125017648 (0.000173284% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888300310475 (3.10754e-05% change) large trace change predicted (9.92876e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885665113354 (9.92958e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883597375262 (7.79136e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882449471755 (4.32537e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880512402468 (7.299e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029345772 (1.82019e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.653879271442776 (2.85583e-05% change) linmin: converged after 2 iterations. iteration 188: trace = 2.653878601734299 (2.52351e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.6538784001655 (7.59525e-06% change) large trace change predicted (1.88307e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877900427086 (1.88305e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877421558993 (1.80441e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.65387730987687 (4.20826e-06% change) large trace change predicted (1.21109e-05%) linmin: converged after 3 iterations. iteration 193: trace = 2.653876988472429 (1.21108e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876701439056 (1.08156e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.653876503410812 (7.46185e-06% change) large trace change predicted (1.82642e-05%) linmin: converged after 5 iterations. iteration 196: trace = 2.653876018717266 (1.82636e-05% change) linmin: converged after 11 iterations. iteration 197: trace = 2.653875743899023 (1.03554e-05% change) large trace change predicted (2.57543e-05%) linmin: converged after 4 iterations. iteration 198: trace = 2.653875060450527 (2.57528e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.653874147184598 (3.44126e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873614591419 (2.00685e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.6538729333311 (2.56704e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871895566034 (3.91038e-05% change) linmin: converged after 15 iterations. iteration 203: trace = 2.65387155607623 (1.27922e-05% change) large trace change predicted (3.29723e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870680971224 (3.29747e-05% change) linmin: converged after 21 iterations. iteration 205: trace = 2.653870122826004 (2.10314e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.653869969560776 (5.77516e-06% change) large trace change predicted (1.29054e-05%) linmin: converged after 3 iterations. iteration 207: trace = 2.653869627068521 (1.29054e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869358862778 (1.01062e-05% change) linmin: converged after 5 iterations. iteration 209: trace = 2.653869078066302 (1.05806e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868925079117 (5.76468e-06% change) linmin: converged after 10 iterations. iteration 211: trace = 2.65386885402022 (2.67756e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868738796709 (4.34172e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868657394825 (3.06729e-06% change) large trace change predicted (6.76972e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868477723293 (6.77017e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868237619988 (9.0473e-06% change) linmin: converged after 6 iterations. iteration 216: trace = 2.653868167286306 (2.65023e-06% change) large trace change predicted (1.06308e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.653867885147639 (1.06312e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.653867608071129 (1.04405e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.65386744165509 (6.2707e-06% change) large trace change predicted (1.45434e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867055690426 (1.45435e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866913835114 (5.34523e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.653866652758798 (9.83758e-06% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866355935795 (1.11845e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866272878552 (3.12967e-06% change) large trace change predicted (6.68331e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866095517378 (6.68312e-06% change) linmin: converged after 4 iterations. iteration 226: trace = 2.653865950140019 (5.47795e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.653865910912876 (1.47811e-06% change) large trace change predicted (5.24753e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.6538657716561 (5.24732e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865715078113 (2.13191e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.653865636506092 (2.96066e-06% change) linmin: converged after 28 iterations. iteration 231: trace = 2.653865564265992 (2.72207e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 2.653865464245028 (3.76888e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.653865437462328 (1.0092e-06% change) large trace change predicted (5.0147e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.653865304386845 (5.0144e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.65386519536098 (4.10819e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.653865111140421 (3.17351e-06% change) large trace change predicted (8.85399e-06%) linmin: converged after 5 iterations. iteration 237: trace = 2.653864876182085 (8.85344e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.653864810780303 (2.4644e-06% change) large trace change predicted (1.39121e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.65386444158312 (1.39117e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864092884526 (1.31393e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653863976297839 (4.39309e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.653863767119183 (7.88204e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863499038534 (1.01015e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.65386341956879 (2.99449e-06% change) large trace change predicted (8.43221e-06%) linmin: converged after 2 iterations. iteration 245: trace = 2.653863195775577 (8.43273e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863002305884 (7.29012e-06% change) linmin: converged after 3 iterations. iteration 247: trace = 2.653862939461485 (2.36803e-06% change) linmin: converged after 7 iterations. iteration 248: trace = 2.653862838047807 (3.82136e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.653862750547567 (3.29709e-06% change) linmin: converged after 9 iterations. iteration 250: trace = 2.653862731551472 (7.1579e-07% change) large trace change predicted (2.498e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.653862665259322 (2.49795e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862631829987 (1.25965e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.653862598619071 (1.25142e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.653862553637281 (1.69496e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862499020986 (2.05799e-06% change) linmin: converged after 2 iterations. iteration 256: trace = 2.653862476489225 (8.49018e-07% change) large trace change predicted (3.93247e-06%) linmin: converged after 5 iterations. iteration 257: trace = 2.653862372131893 (3.93228e-06% change) linmin: converged after 24 iterations. iteration 258: trace = 2.653862348759161 (8.80706e-07% change) large trace change predicted (4.30763e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.65386223444527 (4.30745e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.653862135935652 (3.71193e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.653862104064693 (1.20093e-06% change) large trace change predicted (3.53299e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.65386201030362 (3.533e-06% change) linmin: converged after 3 iterations. iteration 263: trace = 2.653861927898538 (3.1051e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.653861896369311 (1.18805e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861837885878 (2.20371e-06% change) linmin: converged after 2 iterations. iteration 266: trace = 2.653861792896794 (1.69523e-06% change) linmin: converged after 3 iterations. iteration 267: trace = 2.653861759420286 (1.26143e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861720311059 (1.47367e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.653861710725057 (3.6121e-07% change) large trace change predicted (9.52169e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.65386168545558 (9.52178e-07% change) linmin: converged after 5 iterations. iteration 271: trace = 2.653861666931449 (6.98007e-07% change) linmin: converged after 6 iterations. iteration 272: trace = 2.653861660748593 (2.32976e-07% change) linmin: converged after 4 iterations. iteration 273: trace = 2.653861650914114 (3.70572e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861639321258 (4.3683e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 2.653861636727051 (9.77522e-08% change) large trace change predicted (5.0528e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623317571 (5.05282e-07% change) linmin: converged after 3 iterations. iteration 277: trace = 2.653861615551344 (2.92639e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.653861610178305 (2.02461e-07% change) large trace change predicted (1.72368e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.653861564434906 (1.72365e-06% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.653861550375273 (5.2978e-07% change) linmin: converged after 18 iterations. iteration 281: trace = 2.653861533159478 (6.48707e-07% change) linmin: converged after 10 iterations. iteration 282: trace = 2.653861521115103 (4.53843e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 2.653861516953647 (1.56808e-07% change) large trace change predicted (3.19547e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.653861508473216 (3.19551e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 2.653861501935062 (2.46364e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.65386149731999 (1.739e-07% change) large trace change predicted (3.9222e-07%) linmin: converged after 3 iterations. iteration 287: trace = 2.653861486911017 (3.9222e-07% change) linmin: converged after 12 iterations. iteration 288: trace = 2.653861481122196 (2.18128e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.653861475156671 (2.24787e-07% change) large trace change predicted (5.66199e-07%) linmin: converged after 3 iterations. iteration 290: trace = 2.653861460130549 (5.66198e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 2.653861454278267 (2.20519e-07% change) large trace change predicted (6.21929e-07%) linmin: converged after 24 iterations. iteration 292: trace = 2.653861437772868 (6.21939e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861418071272 (7.42375e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.653861409006131 (3.41583e-07% change) large trace change predicted (9.24339e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384475761 (9.24327e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861360407902 (9.069e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 2.653861352155527 (3.10957e-07% change) large trace change predicted (1.24076e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.653861319227775 (1.24075e-06% change) linmin: converged after 13 iterations. iteration 299: trace = 2.65386130224904 (6.39775e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.653861282671801 (7.37689e-07% change) linmin: converged after 5 iterations. iteration 301: trace = 2.653861260636838 (8.30298e-07% change) linmin: converged after 11 iterations. iteration 302: trace = 2.653861251811262 (3.32556e-07% change) linmin: converged after 5 iterations. iteration 303: trace = 2.653861234499165 (6.52336e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.65386122012131 (5.41771e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.653861216396757 (1.40345e-07% change) large trace change predicted (3.07863e-07%) linmin: converged after 4 iterations. iteration 306: trace = 2.653861208226429 (3.07866e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861199165063 (3.41441e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.653861197442059 (6.49244e-08% change) large trace change predicted (3.45227e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188280197 (3.45228e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.653861179736291 (3.21942e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.653861173933652 (2.18649e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168434974 (2.07195e-07% change) large trace change predicted (4.92209e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.653861155372515 (4.92206e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150083162 (1.99308e-07% change) large trace change predicted (4.55581e-07%) linmin: converged after 8 iterations. iteration 315: trace = 2.653861137992869 (4.55574e-07% change) linmin: converged after 11 iterations. iteration 316: trace = 2.653861122355589 (5.89228e-07% change) linmin: converged after 18 iterations. iteration 317: trace = 2.653861117798604 (1.71712e-07% change) large trace change predicted (4.97835e-07%) linmin: converged after 10 iterations. iteration 318: trace = 2.653861104586823 (4.97832e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.653861092670461 (4.4902e-07% change) linmin: converged after 3 iterations. iteration 320: trace = 2.653861087498114 (1.94899e-07% change) large trace change predicted (6.37322e-07%) linmin: converged after 2 iterations. iteration 321: trace = 2.653861070584414 (6.37324e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.653861067551996 (1.14264e-07% change) large trace change predicted (2.31387e-07%) linmin: converged after 4 iterations. iteration 323: trace = 2.65386106141127 (2.31388e-07% change) linmin: converged after 3 iterations. iteration 324: trace = 2.653861056695451 (1.77697e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105544654 (4.70601e-08% change) large trace change predicted (1.198e-07%) linmin: converged after 7 iterations. iteration 326: trace = 2.653861052267201 (1.19801e-07% change) linmin: converged after 8 iterations. iteration 327: trace = 2.653861049784804 (9.35391e-08% change) linmin: converged after 6 iterations. iteration 328: trace = 2.653861048816704 (3.64789e-08% change) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047196903 (6.10356e-08% change) linmin: converged after 25 iterations. iteration 330: trace = 2.653861046134907 (4.0017e-08% change) linmin: converged after 6 iterations. iteration 331: trace = 2.653861044752584 (5.20872e-08% change) linmin: converged after 3 iterations. iteration 332: trace = 2.653861042721359 (7.65385e-08% change) linmin: converged after 30 iterations. iteration 333: trace = 2.653861042116108 (2.28064e-08% change) large trace change predicted (1.13853e-07%) linmin: converged after 2 iterations. iteration 334: trace = 2.653861039094593 (1.13854e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861036131572 (1.11649e-07% change) linmin: converged after 27 iterations. iteration 336: trace = 2.653861034242886 (7.11675e-08% change) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030716774 (1.32867e-07% change) linmin: converged after 22 iterations. iteration 338: trace = 2.653861026751165 (1.49428e-07% change) linmin: converged after 3 iterations. iteration 339: trace = 2.653861023211925 (1.33362e-07% change) linmin: converged after 3 iterations. iteration 340: trace = 2.653861021859958 (5.09434e-08% change) large trace change predicted (1.35994e-07%) linmin: converged after 4 iterations. iteration 341: trace = 2.653861018250889 (1.35993e-07% change) linmin: converged after 4 iterations. iteration 342: trace = 2.653861017185342 (4.01508e-08% change) large trace change predicted (8.60729e-08%) linmin: converged after 29 iterations. iteration 343: trace = 2.653861014901093 (8.60727e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861012009986 (1.0894e-07% change) linmin: converged after 32 iterations. iteration 345: trace = 2.653861011520676 (1.84377e-08% change) large trace change predicted (7.53211e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.65386100952177 (7.53207e-08% change) linmin: converged after 11 iterations. iteration 347: trace = 2.653861008483884 (3.91085e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861008068904 (1.56368e-08% change) large trace change predicted (4.68855e-08%) linmin: converged after 2 iterations. iteration 349: trace = 2.65386100682463 (4.68854e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861006025447 (3.0114e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.653861005676052 (1.31655e-08% change) large trace change predicted (2.95944e-08%) linmin: converged after 2 iterations. iteration 352: trace = 2.653861004890656 (2.95945e-08% change) linmin: converged after 6 iterations. iteration 353: trace = 2.653861003736128 (4.35037e-08% change) linmin: converged after 18 iterations. iteration 354: trace = 2.653861003287212 (1.69156e-08% change) large trace change predicted (6.13576e-08%) linmin: converged after 15 iterations. iteration 355: trace = 2.653861001658863 (6.13578e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.653861001224155 (1.63802e-08% change) large trace change predicted (6.75109e-08%) linmin: converged after 4 iterations. iteration 357: trace = 2.65386099943251 (6.75109e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653860997557949 (7.06353e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996942836 (2.31781e-08% change) large trace change predicted (7.98076e-08%) linmin: converged after 4 iterations. iteration 360: trace = 2.653860994824857 (7.98075e-08% change) linmin: converged after 4 iterations. iteration 361: trace = 2.653860993724631 (4.14575e-08% change) linmin: converged after 3 iterations. iteration 362: trace = 2.653860992369909 (5.10472e-08% change) linmin: converged after 4 iterations. iteration 363: trace = 2.653860990436661 (7.28466e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989954883 (1.81539e-08% change) large trace change predicted (4.99506e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860988629264 (4.99506e-08% change) linmin: converged after 2 iterations. iteration 366: trace = 2.653860987592098 (3.90814e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.653860987302343 (1.09183e-08% change) large trace change predicted (2.99052e-08%) linmin: converged after 4 iterations. iteration 368: trace = 2.653860986508704 (2.99051e-08% change) linmin: converged after 2 iterations. iteration 369: trace = 2.653860985777513 (2.7552e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985541496 (8.89336e-09% change) linmin: converged after 5 iterations. iteration 371: trace = 2.653860985182945 (1.35105e-08% change) linmin: converged after 9 iterations. iteration 372: trace = 2.653860984531133 (2.45609e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.653860984357667 (6.53637e-09% change) large trace change predicted (3.17096e-08%) linmin: converged after 4 iterations. iteration 374: trace = 2.653860983516143 (3.17094e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860982746636 (2.89958e-08% change) linmin: converged after 6 iterations. iteration 376: trace = 2.653860982367601 (1.42824e-08% change) large trace change predicted (5.63534e-08%) linmin: converged after 2 iterations. iteration 377: trace = 2.65386098087206 (5.63534e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.653860980325325 (2.06015e-08% change) large trace change predicted (7.91561e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978224627 (7.91563e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.65386097657802 (6.20457e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.653860974677374 (7.16182e-08% change) linmin: converged after 3 iterations. iteration 382: trace = 2.653860974248397 (1.61642e-08% change) large trace change predicted (5.56889e-08%) linmin: converged after 10 iterations. iteration 383: trace = 2.653860972770481 (5.56893e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860971403246 (5.15187e-08% change) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971106946 (1.11648e-08% change) large trace change predicted (4.60698e-08%) linmin: converged after 24 iterations. iteration 386: trace = 2.653860969884318 (4.60698e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.65386096918897 (2.62014e-08% change) linmin: converged after 15 iterations. iteration 388: trace = 2.65386096901819 (6.43513e-09% change) large trace change predicted (1.86457e-08%) linmin: converged after 18 iterations. iteration 389: trace = 2.653860968523357 (1.86458e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968158674 (1.37416e-08% change) linmin: converged after 35 iterations. iteration 391: trace = 2.653860967960512 (7.46696e-09% change) linmin: converged after 3 iterations. iteration 392: trace = 2.653860967648039 (1.17743e-08% change) linmin: converged after 18 iterations. iteration 393: trace = 2.653860967490427 (5.93898e-09% change) linmin: converged after 4 iterations. iteration 394: trace = 2.653860967241791 (9.36887e-09% change) linmin: converged after 2 iterations. iteration 395: trace = 2.653860966809531 (1.6288e-08% change) linmin: converged after 6 iterations. iteration 396: trace = 2.653860966706069 (3.89855e-09% change) large trace change predicted (2.54919e-08%) linmin: converged after 23 iterations. iteration 397: trace = 2.653860966029556 (2.54917e-08% change) linmin: converged after 6 iterations. iteration 398: trace = 2.653860965630015 (1.50551e-08% change) linmin: converged after 3 iterations. iteration 399: trace = 2.653860965304476 (1.22666e-08% change) large trace change predicted (2.54255e-08%) linmin: converged after 25 iterations. iteration 400: trace = 2.65386096462972 (2.54254e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964155916 (1.78534e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.653860963907952 (9.34351e-09% change) large trace change predicted (2.29606e-08%) linmin: converged after 6 iterations. iteration 403: trace = 2.653860963298608 (2.29606e-08% change) linmin: converged after 3 iterations. iteration 404: trace = 2.653860962880434 (1.57572e-08% change) linmin: converged after 26 iterations. iteration 405: trace = 2.653860962648136 (8.7532e-09% change) linmin: converged after 5 iterations. iteration 406: trace = 2.653860962335183 (1.17924e-08% change) linmin: converged after 24 iterations. iteration 407: trace = 2.653860962126452 (7.86516e-09% change) linmin: converged after 8 iterations. iteration 408: trace = 2.653860962024114 (3.85618e-09% change) linmin: converged after 2 iterations. iteration 409: trace = 2.653860961824432 (7.52421e-09% change) linmin: converged after 21 iterations. iteration 410: trace = 2.653860961752544 (2.70882e-09% change) linmin: converged after 7 iterations. iteration 411: trace = 2.653860961683975 (2.58373e-09% change) linmin: converged after 5 iterations. iteration 412: trace = 2.653860961592263 (3.45581e-09% change) linmin: converged after 10 iterations. iteration 413: trace = 2.653860961543851 (1.82422e-09% change) linmin: converged after 4 iterations. iteration 414: trace = 2.653860961479011 (2.4432e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961392956 (3.24266e-09% change) linmin: converged after 5 iterations. iteration 416: trace = 2.65386096131743 (2.84587e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961274856 (1.60424e-09% change) large trace change predicted (7.61443e-09%) linmin: converged after 19 iterations. iteration 418: trace = 2.653860961072778 (7.61449e-09% change) linmin: converged after 4 iterations. iteration 419: trace = 2.653860960828427 (9.20737e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.653860960647904 (6.80228e-09% change) linmin: converged after 19 iterations. iteration 421: trace = 2.653860960488238 (6.01639e-09% change) linmin: converged after 15 iterations. iteration 422: trace = 2.653860960457683 (1.15131e-09% change) linmin: converged after 4 iterations. iteration 423: trace = 2.653860960397895 (2.25288e-09% change) linmin: converged after 4 iterations. iteration 424: trace = 2.653860960331005 (2.52048e-09% change) linmin: converged after 19 iterations. iteration 425: trace = 2.653860960313058 (6.76259e-10% change) large trace change predicted (3.02963e-09%) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960232654 (3.02972e-09% change) linmin: converged after 18 iterations. iteration 427: trace = 2.653860960202634 (1.13116e-09% change) linmin: converged after 15 iterations. iteration 428: trace = 2.653860960151567 (1.92426e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960075439 (2.86859e-09% change) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960049703 (9.69752e-10% change) large trace change predicted (3.48318e-09%) linmin: converged after 2 iterations. iteration 431: trace = 2.653860959957266 (3.48312e-09% change) linmin: converged after 4 iterations. iteration 432: trace = 2.653860959834929 (4.60977e-09% change) linmin: converged after 21 iterations. iteration 433: trace = 2.653860959792721 (1.59042e-09% change) large trace change predicted (5.51401e-09%) linmin: converged after 3 iterations. iteration 434: trace = 2.65386095964639 (5.51391e-09% change) linmin: converged after 9 iterations. iteration 435: trace = 2.653860959509967 (5.14053e-09% change) linmin: converged after 8 iterations. iteration 436: trace = 2.653860959455933 (2.03606e-09% change) large trace change predicted (6.5289e-09%) linmin: converged after 9 iterations. iteration 437: trace = 2.653860959282671 (6.5287e-09% change) linmin: converged after 24 iterations. iteration 438: trace = 2.65386095908555 (7.42767e-09% change) linmin: converged after 4 iterations. iteration 439: trace = 2.653860959040805 (1.68604e-09% change) large trace change predicted (8.09764e-09%) linmin: converged after 3 iterations. iteration 440: trace = 2.653860958825907 (8.09759e-09% change) linmin: converged after 10 iterations. iteration 441: trace = 2.653860958707799 (4.4504e-09% change) linmin: converged after 16 iterations. iteration 442: trace = 2.653860958660138 (1.79593e-09% change) large trace change predicted (5.15645e-09%) linmin: converged after 4 iterations. iteration 443: trace = 2.653860958523291 (5.15652e-09% change) linmin: converged after 13 iterations. iteration 444: trace = 2.653860958429302 (3.54157e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958410826 (6.96206e-10% change) large trace change predicted (2.13082e-09%) linmin: converged after 12 iterations. iteration 446: trace = 2.653860958354281 (2.13069e-09% change) linmin: converged after 12 iterations. iteration 447: trace = 2.653860958306856 (1.78701e-09% change) linmin: converged after 16 iterations. iteration 448: trace = 2.653860958291415 (5.81831e-10% change) large trace change predicted (2.31693e-09%) linmin: converged after 14 iterations. iteration 449: trace = 2.653860958229925 (2.31702e-09% change) linmin: converged after 9 iterations. iteration 450: trace = 2.653860958176105 (2.02796e-09% change) linmin: converged after 15 iterations. iteration 451: trace = 2.653860958134957 (1.55051e-09% change) linmin: converged after 13 iterations. iteration 452: trace = 2.653860958103313 (1.19238e-09% change) large trace change predicted (3.16997e-09%) linmin: converged after 3 iterations. iteration 453: trace = 2.653860958019188 (3.1699e-09% change) linmin: converged after 16 iterations. iteration 454: trace = 2.653860957973268 (1.73033e-09% change) linmin: converged after 13 iterations. iteration 455: trace = 2.653860957912659 (2.28378e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.653860957802967 (4.13333e-09% change) linmin: converged after 21 iterations. iteration 457: trace = 2.653860957776588 (9.93982e-10% change) large trace change predicted (2.49512e-09%) linmin: converged after 2 iterations. iteration 458: trace = 2.65386095771037 (2.49516e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.653860957609381 (3.80536e-09% change) linmin: converged after 6 iterations. iteration 460: trace = 2.653860957587652 (8.18763e-10% change) large trace change predicted (3.53265e-09%) linmin: converged after 9 iterations. iteration 461: trace = 2.653860957493902 (3.53257e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957453567 (1.51989e-09% change) linmin: converged after 4 iterations. iteration 463: trace = 2.653860957425482 (1.05826e-09% change) linmin: converged after 8 iterations. iteration 464: trace = 2.653860957392035 (1.26032e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.653860957373471 (6.99502e-10% change) linmin: converged after 3 iterations. iteration 466: trace = 2.653860957355178 (6.89295e-10% change) linmin: converged after 6 iterations. iteration 467: trace = 2.653860957335606 (7.37488e-10% change) linmin: converged after 6 iterations. iteration 468: trace = 2.653860957330625 (1.87702e-10% change) large trace change predicted (5.11928e-10%) linmin: converged after 12 iterations. iteration 469: trace = 2.65386095731704 (5.11901e-10% change) linmin: converged after 3 iterations. iteration 470: trace = 2.653860957302546 (5.46121e-10% change) linmin: converged after 13 iterations. iteration 471: trace = 2.653860957299613 (1.10543e-10% change) large trace change predicted (6.33462e-10%) linmin: converged after 6 iterations. iteration 472: trace = 2.6538609572828 (6.33521e-10% change) linmin: converged after 7 iterations. iteration 473: trace = 2.653860957267194 (5.88039e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.653860957254259 (4.87403e-10% change) linmin: converged after 3 iterations. iteration 475: trace = 2.653860957244893 (3.52947e-10% change) large trace change predicted (8.70554e-10%) linmin: converged after 3 iterations. iteration 476: trace = 2.653860957221787 (8.70638e-10% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957203586 (6.85848e-10% change) linmin: converged after 12 iterations. iteration 478: trace = 2.653860957193507 (3.79771e-10% change) large trace change predicted (1.15727e-09%) linmin: converged after 7 iterations. iteration 479: trace = 2.653860957162796 (1.15722e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.653860957152354 (3.93476e-10% change) large trace change predicted (7.91997e-10%) linmin: converged after 2 iterations. iteration 481: trace = 2.653860957131337 (7.91939e-10% change) linmin: converged after 12 iterations. iteration 482: trace = 2.653860957105225 (9.83925e-10% change) linmin: converged after 15 iterations. iteration 483: trace = 2.653860957096376 (3.33436e-10% change) large trace change predicted (7.68681e-10%) linmin: converged after 4 iterations. iteration 484: trace = 2.653860957075975 (7.68713e-10% change) linmin: converged after 7 iterations. iteration 485: trace = 2.653860957061548 (5.43628e-10% change) linmin: converged after 4 iterations. iteration 486: trace = 2.653860957054837 (2.52863e-10% change) linmin: converged after 3 iterations. iteration 487: trace = 2.653860957047202 (2.87719e-10% change) linmin: converged after 3 iterations. iteration 488: trace = 2.653860957042094 (1.92454e-10% change) linmin: converged after 3 iterations. iteration 489: trace = 2.653860957037943 (1.5641e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.65386095703434 (1.35794e-10% change) linmin: converged after 6 iterations. iteration 491: trace = 2.653860957030801 (1.33351e-10% change) linmin: converged after 3 iterations. iteration 492: trace = 2.653860957025126 (2.1384e-10% change) linmin: converged after 3 iterations. iteration 493: trace = 2.65386095702037 (1.79218e-10% change) linmin: converged after 9 iterations. iteration 494: trace = 2.653860957012349 (3.02211e-10% change) linmin: converged after 3 iterations. iteration 495: trace = 2.653860957000387 (4.50739e-10% change) linmin: converged after 3 iterations. iteration 496: trace = 2.65386095699586 (1.706e-10% change) large trace change predicted (5.37929e-10%) linmin: converged after 4 iterations. iteration 497: trace = 2.653860956981582 (5.38005e-10% change) linmin: converged after 9 iterations. iteration 498: trace = 2.65386095696949 (4.55642e-10% change) linmin: converged after 9 iterations. iteration 499: trace = 2.653860956964063 (2.04503e-10% change) large trace change predicted (5.82409e-10%) linmin: converged after 3 iterations. iteration 500: trace = 2.653860956948609 (5.82316e-10% change) linmin: converged after 2 iterations. iteration 501: trace = 2.653860956942851 (2.16952e-10% change) linmin: converged after 3 iterations. iteration 502: trace = 2.653860956932339 (3.96103e-10% change) linmin: converged after 2 iterations. iteration 503: trace = 2.653860956920813 (4.34323e-10% change) linmin: converged after 3 iterations. iteration 504: trace = 2.653860956917655 (1.18977e-10% change) large trace change predicted (3.26651e-10%) linmin: converged after 2 iterations. iteration 505: trace = 2.653860956908983 (3.26792e-10% change) linmin: converged after 3 iterations. iteration 506: trace = 2.653860956902382 (2.48713e-10% change) linmin: converged after 5 iterations. iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 3.883124589920044 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767192045163025 (3.67887% change) linmin: converged after 12 iterations. iteration 2: trace = 2.669057380357486 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626109110742 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397560818022 (0.547987% change) linmin: converged after 5 iterations. iteration 5: trace = 2.564425789247123 (0.969058% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271003184409 (0.0840614% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519452644537 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.5533812062184 (0.161938% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758159301232 (0.0635848% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676145701263 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042257271972 (0.0641279% change) linmin: converged after 5 iterations. iteration 12: trace = 2.545109407132459 (0.0759149% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744874672027 (0.0536283% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493569722713 (0.00987982% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654865255261 (0.0329799% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233437169567 (0.0165757% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989490215497 (0.00959623% change) large trace change predicted (0.0296917%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222886559927 (0.0301622% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916754194661 (0.0120474% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420138084658 (0.0195467% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069646846972 (0.0137975% change) linmin: converged after 4 iterations. iteration 22: trace = 2.53991319211357 (0.00615966% change) large trace change predicted (0.0132667%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574241822349 (0.0133458% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320168380693 (0.0100051% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190156451761 (0.00512008% change) large trace change predicted (0.0109149%) linmin: converged after 3 iterations. iteration 26: trace = 2.538912105880391 (0.010951% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826558903819 (0.00336949% change) large trace change predicted (0.00728293%) linmin: converged after 5 iterations. iteration 28: trace = 2.538640922020423 (0.00731218% change) linmin: converged after 4 iterations. iteration 29: trace = 2.538416115055694 (0.0088558% change) linmin: converged after 5 iterations. iteration 30: trace = 2.538329681714421 (0.00340507% change) large trace change predicted (0.0126404%) linmin: converged after 4 iterations. iteration 31: trace = 2.538007652449731 (0.0126875% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917254792359 (0.00356182% change) large trace change predicted (0.0118588%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615514542672 (0.01189% change) linmin: converged after 3 iterations. iteration 34: trace = 2.53744664420911 (0.00665491% change) linmin: converged after 4 iterations. iteration 35: trace = 2.537337487891875 (0.00430191% change) large trace change predicted (0.0106116%) linmin: converged after 6 iterations. iteration 36: trace = 2.537068033653169 (0.0106201% change) linmin: converged after 3 iterations. iteration 37: trace = 2.53699943464511 (0.00270391% change) large trace change predicted (0.0111009%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717394141688 (0.0111177% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633734665125 (0.003298% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477822463409 (0.00614661% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329218818773 (0.00585883% change) linmin: converged after 3 iterations. iteration 42: trace = 2.53615020102548 (0.00705839% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989255703162 (0.00634625% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865706424353 (0.00487196% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703192587326 (0.00640882% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652227616092 (0.00200992% change) large trace change predicted (0.00754028%) linmin: converged after 3 iterations. iteration 47: trace = 2.53546107910786 (0.00753872% change) linmin: converged after 3 iterations. iteration 48: trace = 2.535421748870608 (0.00155122% change) large trace change predicted (0.00506183%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293468493803 (0.00505966% change) linmin: converged after 4 iterations. iteration 50: trace = 2.535212823182918 (0.00318096% change) linmin: converged after 9 iterations. iteration 51: trace = 2.535125064719677 (0.00346164% change) linmin: converged after 4 iterations. iteration 52: trace = 2.5349509031445 (0.00687018% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873114315107 (0.0030687% change) large trace change predicted (0.00863851%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655262783688 (0.00859455% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598374640847 (0.00224444% change) large trace change predicted (0.00574966%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453143671912 (0.0057301% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390112619761 (0.002487% change) linmin: converged after 5 iterations. iteration 58: trace = 2.534330756155766 (0.00234207% change) linmin: converged after 4 iterations. iteration 59: trace = 2.534233966213133 (0.00381922% change) linmin: converged after 3 iterations. iteration 60: trace = 2.534207675681939 (0.00103742% change) large trace change predicted (0.0030975%) linmin: converged after 6 iterations. iteration 61: trace = 2.534129221285733 (0.00309586% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095670360006 (0.00132397% change) large trace change predicted (0.00285535%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023378172555 (0.00285282% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533958013125194 (0.00257953% change) linmin: converged after 3 iterations. iteration 65: trace = 2.533883392389698 (0.00294487% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772608404004 (0.0043722% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730667933859 (0.00165527% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365915475089 (0.00282249% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617380418967 (0.00164879% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588522803026 (0.001139% change) linmin: converged after 5 iterations. iteration 71: trace = 2.533564665548087 (0.000941643% change) linmin: converged after 6 iterations. iteration 72: trace = 2.533539618364233 (0.000988619% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522906468145 (0.000659629% change) large trace change predicted (0.00183841%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476249005274 (0.00184162% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464174381763 (0.000476604% change) large trace change predicted (0.00275226%) linmin: converged after 5 iterations. iteration 76: trace = 2.533394202119549 (0.00276196% change) linmin: converged after 10 iterations. iteration 77: trace = 2.533360209152475 (0.0013418% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332274267103 (0.00110269% change) large trace change predicted (0.00246268%) linmin: converged after 4 iterations. iteration 79: trace = 2.533269609255164 (0.00247365% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217623027478 (0.00205216% change) linmin: converged after 4 iterations. iteration 81: trace = 2.533191364656076 (0.00103657% change) large trace change predicted (0.00237285%) linmin: converged after 6 iterations. iteration 82: trace = 2.533131006388617 (0.00238273% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533113008962917 (0.000710484% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088875728426 (0.000952715% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060210964731 (0.00113162% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052336070403 (0.000310885% change) large trace change predicted (0.000754712%) linmin: converged after 3 iterations. iteration 87: trace = 2.53303320837675 (0.000755127% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014413116766 (0.000742009% change) linmin: converged after 4 iterations. iteration 89: trace = 2.53300139548469 (0.00051392% change) linmin: converged after 4 iterations. iteration 90: trace = 2.53297623352843 (0.00099337% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972382311616 (0.000152043% change) large trace change predicted (0.000749633%) linmin: converged after 6 iterations. iteration 92: trace = 2.532953408161689 (0.000749089% change) linmin: converged after 4 iterations. iteration 93: trace = 2.532934947778483 (0.000728811% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926920734985 (0.000316907% change) large trace change predicted (0.00178259%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881948782389 (0.00177551% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858314027711 (0.000933121% change) linmin: converged after 3 iterations. iteration 97: trace = 2.532819821785889 (0.00151973% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786169467268 (0.00132866% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774323054985 (0.000467724% change) large trace change predicted (0.00101699%) linmin: converged after 5 iterations. iteration 100: trace = 2.532748610017113 (0.00101522% change) linmin: converged after 10 iterations. iteration 101: trace = 2.532735591407811 (0.000514012% change) linmin: converged after 6 iterations. iteration 102: trace = 2.53272596494108 (0.000380083% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712960913022 (0.000513441% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704595744002 (0.000330285% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697442671518 (0.000282429% change) large trace change predicted (0.000634618%) linmin: converged after 3 iterations. iteration 106: trace = 2.532681377273767 (0.000634322% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678264492637 (0.000122905% change) large trace change predicted (0.000365881%) linmin: converged after 3 iterations. iteration 108: trace = 2.53266899969015 (0.000365811% change) linmin: converged after 3 iterations. iteration 109: trace = 2.53266259492811 (0.000252886% change) linmin: converged after 7 iterations. iteration 110: trace = 2.532659614140498 (0.000117694% change) large trace change predicted (0.00048464%) linmin: converged after 4 iterations. iteration 111: trace = 2.532647336020611 (0.000484793% change) linmin: converged after 5 iterations. iteration 112: trace = 2.532643035903972 (0.000169788% change) large trace change predicted (0.00119129%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612846800416 (0.00119201% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592063234743 (0.000820641% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581469721721 (0.000418288% change) large trace change predicted (0.00102424%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555499922985 (0.00102543% change) linmin: converged after 6 iterations. iteration 117: trace = 2.532535056413251 (0.000807232% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524469432566 (0.00041804% change) large trace change predicted (0.000840288%) linmin: converged after 3 iterations. iteration 119: trace = 2.532503184848721 (0.000840453% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499366164758 (0.000150787% change) large trace change predicted (0.00042853%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488511531764 (0.000428614% change) linmin: converged after 4 iterations. iteration 122: trace = 2.532482095951782 (0.000253331% change) linmin: converged after 4 iterations. iteration 123: trace = 2.532479992867226 (8.30444e-05% change) large trace change predicted (0.000283731%) linmin: converged after 3 iterations. iteration 124: trace = 2.53247280384149 (0.000283873% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467484148865 (0.000210059% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465651311215 (7.23736e-05% change) large trace change predicted (0.000445416%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454353763157 (0.00044611% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452272749749 (8.21738e-05% change) large trace change predicted (0.000327514%) linmin: converged after 3 iterations. iteration 129: trace = 2.532443972834015 (0.000327743% change) linmin: converged after 4 iterations. iteration 130: trace = 2.532434385947424 (0.000378563% change) linmin: converged after 3 iterations. iteration 131: trace = 2.53243172126282 (0.000105222% change) large trace change predicted (0.00050799%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418839054643 (0.000508691% change) linmin: converged after 4 iterations. iteration 133: trace = 2.532413400841182 (0.000214744% change) large trace change predicted (0.000485106%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401111138083 (0.000485297% change) linmin: converged after 5 iterations. iteration 135: trace = 2.532386155966053 (0.000590555% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381543521632 (0.000182138% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372871851896 (0.000342432% change) linmin: converged after 3 iterations. iteration 138: trace = 2.532367991177046 (0.000192731% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366691649195 (5.13167e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.532365682102617 (3.98657e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.532363841843478 (7.26696e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361033830604 (0.000110885% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359827253318 (4.76463e-05% change) large trace change predicted (0.000180915%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355246384728 (0.000180893% change) linmin: converged after 3 iterations. iteration 145: trace = 2.532352431420141 (0.00011116% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349386068224 (0.000120258% change) linmin: converged after 3 iterations. iteration 147: trace = 2.532343690244271 (0.000224923% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342311997953 (5.44257e-05% change) large trace change predicted (0.000211673%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336953495586 (0.000211603% change) linmin: converged after 3 iterations. iteration 150: trace = 2.532333398748359 (0.000140374% change) linmin: converged after 3 iterations. iteration 151: trace = 2.53233206340305 (5.27318e-05% change) large trace change predicted (0.000151583%) linmin: converged after 4 iterations. iteration 152: trace = 2.532328227235385 (0.000151488% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325504192802 (0.000107531% change) linmin: converged after 9 iterations. iteration 154: trace = 2.532323601371002 (7.51413e-05% change) linmin: converged after 10 iterations. iteration 155: trace = 2.532320459830568 (0.000124058% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319680363335 (3.07808e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.532318510691772 (4.61897e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316950800764 (6.15993e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.532316545711181 (1.59968e-05% change) large trace change predicted (5.19803e-05%) linmin: converged after 4 iterations. iteration 160: trace = 2.532315229303383 (5.19843e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.532314312430767 (3.62069e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.532313519350129 (3.13184e-05% change) large trace change predicted (8.52185e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311361450239 (8.52146e-05% change) linmin: converged after 8 iterations. iteration 164: trace = 2.532309906699845 (5.74475e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308444593908 (5.7738e-05% change) large trace change predicted (0.000170452%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304127446988 (0.000170483% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303102007244 (4.04943e-05% change) large trace change predicted (0.000115221%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300183750544 (0.000115241% change) linmin: converged after 4 iterations. iteration 169: trace = 2.532297899414583 (9.0208e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297160907362 (2.91635e-05% change) large trace change predicted (6.51906e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295510443508 (6.51766e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532292974814544 (0.000100132% change) linmin: converged after 4 iterations. iteration 173: trace = 2.532292310079173 (2.62503e-05% change) large trace change predicted (8.53907e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.532290147413309 (8.54035e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289313308759 (3.29387e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.532288395005148 (3.62638e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287611764696 (3.09301e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287300796842 (1.22801e-05% change) large trace change predicted (3.85796e-05%) linmin: converged after 4 iterations. iteration 179: trace = 2.532286323773537 (3.85826e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.532284993557319 (5.25303e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284483095969 (2.01581e-05% change) large trace change predicted (0.000118579%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281477154776 (0.000118705% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532278647823394 (0.000111731% change) linmin: converged after 4 iterations. iteration 184: trace = 2.532277674018113 (3.84557e-05% change) large trace change predicted (0.000116096%) linmin: converged after 5 iterations. iteration 185: trace = 2.532274728164526 (0.000116332% change) linmin: converged after 4 iterations. iteration 186: trace = 2.53227327613244 (5.7341e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.532271512129673 (6.96609e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532268544221009 (0.000117203% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532267980604649 (2.22574e-05% change) large trace change predicted (0.000102166%) linmin: converged after 3 iterations. iteration 190: trace = 2.532265393040538 (0.000102184% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264296108059 (4.33182e-05% change) linmin: converged after 4 iterations. iteration 192: trace = 2.532263413125831 (3.48693e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262357948994 (4.16693e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532261780449685 (2.28057e-05% change) linmin: converged after 6 iterations. iteration 195: trace = 2.532260921097122 (3.39362e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.532259374117901 (6.10908e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.532259063480756 (1.22672e-05% change) large trace change predicted (5.51749e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.532257666917385 (5.51509e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.532256854302601 (3.20905e-05% change) linmin: converged after 8 iterations. iteration 200: trace = 2.532256077019117 (3.06953e-05% change) large trace change predicted (6.61116e-05%) linmin: converged after 10 iterations. iteration 201: trace = 2.532254404190157 (6.60608e-05% change) linmin: converged after 8 iterations. iteration 202: trace = 2.532253700674978 (2.77822e-05% change) large trace change predicted (6.65527e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.53225201639963 (6.65129e-05% change) linmin: converged after 5 iterations. iteration 204: trace = 2.532249373106495 (0.000104385% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532248947067088 (1.68245e-05% change) large trace change predicted (6.09808e-05%) linmin: converged after 5 iterations. iteration 206: trace = 2.532247404156568 (6.09305e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532246626059952 (3.07275e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246396263067 (9.07482e-06% change) large trace change predicted (4.58302e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.532245235961194 (4.58211e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.532245059590031 (6.96501e-06% change) large trace change predicted (1.75892e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244614143417 (1.7591e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244332059582 (1.11397e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.532243961673777 (1.46268e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243393266938 (2.24468e-05% change) linmin: converged after 6 iterations. iteration 215: trace = 2.532243012965021 (1.50184e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.532242407793118 (2.38987e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532241470456622 (3.70161e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.532241258807642 (8.35817e-06% change) large trace change predicted (3.25093e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.532240435246127 (3.2523e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532239921315042 (2.02955e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239613290589 (1.21641e-05% change) large trace change predicted (2.80455e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.532238902788354 (2.80583e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238422859413 (1.89528e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.532238105502279 (1.25327e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237512758263 (2.34079e-05% change) linmin: converged after 9 iterations. iteration 226: trace = 2.532237422475582 (3.56533e-06% change) large trace change predicted (1.22361e-05%) linmin: converged after 2 iterations. iteration 227: trace = 2.532237112625669 (1.22362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532236922691033 (7.50067e-06% change) linmin: converged after 5 iterations. iteration 229: trace = 2.53223683133392 (3.60776e-06% change) large trace change predicted (1.4599e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.5322364616746 (1.45981e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.532236386820632 (2.95604e-06% change) large trace change predicted (1.50446e-05%) linmin: converged after 4 iterations. iteration 232: trace = 2.532236005902005 (1.50428e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.532235567443446 (1.73151e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.532235324936102 (9.57681e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.532235061093175 (1.04194e-05% change) large trace change predicted (2.33799e-05%) linmin: converged after 9 iterations. iteration 236: trace = 2.532234469416107 (2.33658e-05% change) linmin: converged after 6 iterations. iteration 237: trace = 2.532234292981712 (6.96754e-06% change) large trace change predicted (1.92204e-05%) linmin: converged after 7 iterations. iteration 238: trace = 2.532233806503822 (1.92114e-05% change) linmin: converged after 13 iterations. iteration 239: trace = 2.532233567780011 (9.4274e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233518761116 (1.9358e-06% change) large trace change predicted (7.97524e-06%) linmin: converged after 4 iterations. iteration 241: trace = 2.532233316834005 (7.97427e-06% change) linmin: converged after 8 iterations. iteration 242: trace = 2.53223322602904 (3.58596e-06% change) linmin: converged after 6 iterations. iteration 243: trace = 2.532233139352723 (3.42292e-06% change) linmin: converged after 4 iterations. iteration 244: trace = 2.532232981391485 (6.23802e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.532232941782683 (1.56418e-06% change) large trace change predicted (5.80942e-06%) linmin: converged after 8 iterations. iteration 246: trace = 2.532232794675251 (5.8094e-06% change) linmin: converged after 2 iterations. iteration 247: trace = 2.532232655634834 (5.49082e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.53223260224804 (2.10829e-06% change) large trace change predicted (4.67847e-06%) linmin: converged after 4 iterations. iteration 249: trace = 2.532232483784177 (4.67824e-06% change) linmin: converged after 5 iterations. iteration 250: trace = 2.532232362957225 (4.77156e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.532232303957449 (2.32995e-06% change) large trace change predicted (1.13682e-05%) linmin: converged after 5 iterations. iteration 252: trace = 2.5322320160995 (1.13678e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.532231912547643 (4.08935e-06% change) large trace change predicted (1.08339e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231638229019 (1.08331e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.532231403565604 (9.26706e-06% change) linmin: converged after 21 iterations. iteration 256: trace = 2.532231277094745 (4.99444e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.532231194338745 (3.26811e-06% change) linmin: converged after 13 iterations. iteration 258: trace = 2.532231046316252 (5.84554e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 2.532231016811047 (1.16519e-06% change) large trace change predicted (3.74982e-06%) linmin: converged after 4 iterations. iteration 260: trace = 2.532230921855036 (3.7499e-06% change) linmin: converged after 23 iterations. iteration 261: trace = 2.532230862689733 (2.33649e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.53223083873709 (9.45911e-07% change) large trace change predicted (3.12221e-06%) linmin: converged after 23 iterations. iteration 263: trace = 2.532230759671736 (3.12236e-06% change) linmin: converged after 15 iterations. iteration 264: trace = 2.532230696501678 (2.49464e-06% change) linmin: converged after 7 iterations. iteration 265: trace = 2.532230652826942 (1.72475e-06% change) large trace change predicted (5.88601e-06%) linmin: converged after 4 iterations. iteration 266: trace = 2.532230503763672 (5.88664e-06% change) linmin: converged after 5 iterations. iteration 267: trace = 2.532230416800177 (3.43426e-06% change) linmin: converged after 6 iterations. iteration 268: trace = 2.532230282776104 (5.29273e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.532230176448649 (4.19896e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230129390047 (1.85839e-06% change) large trace change predicted (5.01005e-06%) linmin: converged after 2 iterations. iteration 271: trace = 2.532230002519866 (5.01022e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.532229868163668 (5.30585e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229779225418 (3.51225e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.532229649583122 (5.11969e-06% change) linmin: converged after 11 iterations. iteration 275: trace = 2.532229621422921 (1.11207e-06% change) large trace change predicted (4.14646e-06%) linmin: converged after 9 iterations. iteration 276: trace = 2.532229516420666 (4.14663e-06% change) linmin: converged after 13 iterations. iteration 277: trace = 2.53222945506614 (2.42294e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.53222943390973 (8.35485e-07% change) large trace change predicted (2.24224e-06%) linmin: converged after 4 iterations. iteration 279: trace = 2.532229377130915 (2.24225e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.532229338167026 (1.53872e-06% change) linmin: converged after 16 iterations. iteration 281: trace = 2.532229324037591 (5.57984e-07% change) large trace change predicted (1.92946e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229275178154 (1.9295e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229224933658 (1.9842e-06% change) linmin: converged after 27 iterations. iteration 284: trace = 2.532229195756853 (1.15222e-06% change) large trace change predicted (3.43235e-06%) linmin: converged after 8 iterations. iteration 285: trace = 2.532229108837616 (3.43252e-06% change) linmin: converged after 8 iterations. iteration 286: trace = 2.532229070906173 (1.49795e-06% change) linmin: converged after 15 iterations. iteration 287: trace = 2.532229005434425 (2.58554e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.532228912261696 (3.67947e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228878857018 (1.31918e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.532228814352874 (2.54733e-06% change) linmin: converged after 11 iterations. iteration 291: trace = 2.532228759006485 (2.18568e-06% change) linmin: converged after 4 iterations. iteration 292: trace = 2.5322287287148 (1.19625e-06% change) large trace change predicted (2.94799e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228654071961 (2.94771e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228630826729 (9.17975e-07% change) large trace change predicted (2.12091e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.532228577125554 (2.12071e-06% change) linmin: converged after 10 iterations. iteration 296: trace = 2.532228551953613 (9.94063e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228539632578 (4.86569e-07% change) large trace change predicted (1.10488e-06%) linmin: converged after 4 iterations. iteration 298: trace = 2.532228511654962 (1.10486e-06% change) linmin: converged after 7 iterations. iteration 299: trace = 2.532228480410223 (1.23388e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.532228471096156 (3.67821e-07% change) large trace change predicted (1.74133e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.532228427004013 (1.74124e-06% change) linmin: converged after 7 iterations. iteration 302: trace = 2.532228385689038 (1.63157e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.532228360133651 (1.00921e-06% change) large trace change predicted (2.41428e-06%) linmin: converged after 7 iterations. iteration 304: trace = 2.532228299004506 (2.41405e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.532228261234704 (1.49156e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.53222820816014 (2.09596e-06% change) linmin: converged after 13 iterations. iteration 307: trace = 2.532228137110495 (2.80582e-06% change) linmin: converged after 6 iterations. iteration 308: trace = 2.532228114967864 (8.74433e-07% change) linmin: converged after 12 iterations. iteration 309: trace = 2.532228086783509 (1.11303e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.532228061682376 (9.91267e-07% change) linmin: converged after 18 iterations. iteration 311: trace = 2.532228031642422 (1.18631e-06% change) linmin: converged after 12 iterations. iteration 312: trace = 2.532228022868124 (3.46505e-07% change) large trace change predicted (1.6377e-06%) linmin: converged after 2 iterations. iteration 313: trace = 2.532227981397549 (1.63771e-06% change) linmin: converged after 7 iterations. iteration 314: trace = 2.532227972677866 (3.44348e-07% change) large trace change predicted (1.54265e-06%) linmin: converged after 9 iterations. iteration 315: trace = 2.532227933613569 (1.54268e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.532227901120616 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227888180187 (5.11029e-07% change) large trace change predicted (1.51822e-06%) linmin: converged after 10 iterations. iteration 318: trace = 2.532227849732482 (1.51834e-06% change) linmin: converged after 2 iterations. iteration 319: trace = 2.532227811599739 (1.5059e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227794595986 (6.71494e-07% change) large trace change predicted (2.84518e-06%) linmin: converged after 7 iterations. iteration 321: trace = 2.532227722540139 (2.84555e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.532227687567286 (1.38111e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.532227638964866 (1.91935e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.532227586592549 (2.06823e-06% change) linmin: converged after 12 iterations. iteration 325: trace = 2.53222757240693 (5.60203e-07% change) linmin: converged after 5 iterations. iteration 326: trace = 2.532227544172079 (1.11502e-06% change) linmin: converged after 2 iterations. iteration 327: trace = 2.532227512219513 (1.26184e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.532227505887205 (2.50069e-07% change) large trace change predicted (1.12493e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.53222747740137 (1.12493e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227469121269 (3.26989e-07% change) large trace change predicted (1.07819e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.532227441820332 (1.07814e-06% change) linmin: converged after 5 iterations. iteration 332: trace = 2.532227419392461 (8.85697e-07% change) linmin: converged after 5 iterations. iteration 333: trace = 2.532227407145195 (4.83656e-07% change) large trace change predicted (1.26341e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227375155252 (1.26331e-06% change) linmin: converged after 7 iterations. iteration 335: trace = 2.532227321498544 (2.11895e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.53222730016528 (8.4247e-07% change) large trace change predicted (2.31631e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.53222724152096 (2.31592e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.532227214136874 (1.08142e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.532227203806219 (4.07967e-07% change) large trace change predicted (1.28324e-06%) linmin: converged after 4 iterations. iteration 340: trace = 2.532227171313901 (1.28315e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.53222714214733 (1.15181e-06% change) linmin: converged after 11 iterations. iteration 342: trace = 2.532227132986993 (3.6175e-07% change) large trace change predicted (9.37405e-07%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227109250781 (9.37365e-07% change) linmin: converged after 10 iterations. iteration 344: trace = 2.53222710170186 (2.98114e-07% change) large trace change predicted (6.41566e-07%) linmin: converged after 5 iterations. iteration 345: trace = 2.53222708545657 (6.41542e-07% change) linmin: converged after 4 iterations. iteration 346: trace = 2.532227074749795 (4.2282e-07% change) linmin: converged after 25 iterations. iteration 347: trace = 2.532227070120145 (1.82829e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227061347484 (3.46441e-07% change) large trace change predicted (7.25133e-07%) linmin: converged after 10 iterations. iteration 349: trace = 2.532227042985584 (7.25129e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.532227032001265 (4.33781e-07% change) linmin: converged after 4 iterations. iteration 351: trace = 2.532227021355288 (4.2042e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227018528629 (1.11627e-07% change) large trace change predicted (3.55816e-07%) linmin: converged after 5 iterations. iteration 353: trace = 2.532227009518536 (3.55817e-07% change) linmin: converged after 3 iterations. iteration 354: trace = 2.532227000110098 (3.71548e-07% change) linmin: converged after 16 iterations. iteration 355: trace = 2.532226996894193 (1.26999e-07% change) large trace change predicted (6.59201e-07%) linmin: converged after 4 iterations. iteration 356: trace = 2.532226980201057 (6.59227e-07% change) linmin: converged after 12 iterations. iteration 357: trace = 2.532226970981009 (3.64108e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226956224377 (5.82753e-07% change) linmin: converged after 10 iterations. iteration 359: trace = 2.532226940921706 (6.04317e-07% change) linmin: converged after 32 iterations. iteration 360: trace = 2.532226934325832 (2.60477e-07% change) large trace change predicted (5.71701e-07%) linmin: converged after 5 iterations. iteration 361: trace = 2.532226919848491 (5.71724e-07% change) linmin: converged after 6 iterations. iteration 362: trace = 2.532226899529127 (8.02431e-07% change) linmin: converged after 16 iterations. iteration 363: trace = 2.532226894115271 (2.13798e-07% change) large trace change predicted (6.38737e-07%) linmin: converged after 5 iterations. iteration 364: trace = 2.532226877940186 (6.38769e-07% change) linmin: converged after 5 iterations. iteration 365: trace = 2.532226862932139 (5.92682e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226859516136 (1.34901e-07% change) large trace change predicted (2.92625e-07%) linmin: converged after 14 iterations. iteration 367: trace = 2.532226852106154 (2.92627e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.532226845206031 (2.72492e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226842625343 (1.01914e-07% change) large trace change predicted (3.14336e-07%) linmin: converged after 4 iterations. iteration 370: trace = 2.532226834665654 (3.14336e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683284111 (7.20529e-08% change) large trace change predicted (2.86443e-07%) linmin: converged after 8 iterations. iteration 372: trace = 2.532226825587834 (2.86439e-07% change) linmin: converged after 11 iterations. iteration 373: trace = 2.532226819859058 (2.26235e-07% change) linmin: converged after 5 iterations. iteration 374: trace = 2.532226817278717 (1.019e-07% change) large trace change predicted (2.88992e-07%) linmin: converged after 6 iterations. iteration 375: trace = 2.532226809961338 (2.8897e-07% change) linmin: converged after 6 iterations. iteration 376: trace = 2.53222679694146 (5.14167e-07% change) linmin: converged after 19 iterations. iteration 377: trace = 2.532226794085944 (1.12767e-07% change) large trace change predicted (4.27732e-07%) linmin: converged after 6 iterations. iteration 378: trace = 2.532226783255718 (4.27696e-07% change) linmin: converged after 5 iterations. iteration 379: trace = 2.532226775828084 (2.93324e-07% change) linmin: converged after 6 iterations. iteration 380: trace = 2.532226773880708 (7.69037e-08% change) large trace change predicted (2.20078e-07%) linmin: converged after 6 iterations. iteration 381: trace = 2.532226768308129 (2.20066e-07% change) linmin: converged after 5 iterations. iteration 382: trace = 2.532226763443181 (1.92121e-07% change) linmin: converged after 5 iterations. iteration 383: trace = 2.532226761972826 (5.80657e-08% change) large trace change predicted (2.03208e-07%) linmin: converged after 11 iterations. iteration 384: trace = 2.532226756827222 (2.03205e-07% change) linmin: converged after 11 iterations. iteration 385: trace = 2.532226754726477 (8.29604e-08% change) linmin: converged after 6 iterations. iteration 386: trace = 2.532226751171404 (1.40393e-07% change) linmin: converged after 7 iterations. iteration 387: trace = 2.532226747795115 (1.33333e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226746356977 (5.67934e-08% change) linmin: converged after 9 iterations. iteration 389: trace = 2.532226743561327 (1.10403e-07% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226740212651 (1.32242e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226738455964 (6.93732e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.532226734979242 (1.37299e-07% change) linmin: converged after 14 iterations. iteration 393: trace = 2.532226728569906 (2.53111e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226726927974 (6.48414e-08% change) large trace change predicted (2.02333e-07%) linmin: converged after 21 iterations. iteration 395: trace = 2.532226721804354 (2.02337e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.532226717861316 (1.55714e-07% change) linmin: converged after 8 iterations. iteration 397: trace = 2.532226716535644 (5.2352e-08% change) large trace change predicted (1.60282e-07%) linmin: converged after 13 iterations. iteration 398: trace = 2.532226712476868 (1.60285e-07% change) linmin: converged after 16 iterations. iteration 399: trace = 2.532226711430153 (4.13358e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226709548159 (7.43217e-08% change) linmin: converged after 6 iterations. iteration 401: trace = 2.532226707623194 (7.60186e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.53222670718206 (1.74208e-08% change) large trace change predicted (7.92241e-08%) linmin: converged after 8 iterations. iteration 403: trace = 2.532226705175908 (7.92248e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.53222670431038 (3.41805e-08% change) linmin: converged after 12 iterations. iteration 405: trace = 2.532226702841314 (5.80148e-08% change) linmin: converged after 18 iterations. iteration 406: trace = 2.532226699971066 (1.13349e-07% change) linmin: converged after 5 iterations. iteration 407: trace = 2.532226697493734 (9.78321e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.532226695648335 (7.28766e-08% change) linmin: converged after 18 iterations. iteration 409: trace = 2.532226692201912 (1.36102e-07% change) linmin: converged after 19 iterations. iteration 410: trace = 2.53222668985198 (9.2801e-08% change) linmin: converged after 6 iterations. iteration 411: trace = 2.532226688485163 (5.39769e-08% change) large trace change predicted (1.39517e-07%) linmin: converged after 7 iterations. iteration 412: trace = 2.53222668495223 (1.39519e-07% change) linmin: converged after 4 iterations. iteration 413: trace = 2.532226684026071 (3.65749e-08% change) large trace change predicted (9.8508e-08%) linmin: converged after 13 iterations. iteration 414: trace = 2.532226681531623 (9.85081e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.532226679072552 (9.7111e-08% change) linmin: converged after 6 iterations. iteration 416: trace = 2.532226678266132 (3.18463e-08% change) large trace change predicted (7.32302e-08%) linmin: converged after 3 iterations. iteration 417: trace = 2.532226676411776 (7.32302e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.532226675930684 (1.89988e-08% change) linmin: converged after 5 iterations. iteration 419: trace = 2.532226675114865 (3.22175e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226674520886 (2.34568e-08% change) linmin: converged after 5 iterations. iteration 421: trace = 2.532226674207967 (1.23575e-08% change) large trace change predicted (5.96327e-08%) linmin: converged after 25 iterations. iteration 422: trace = 2.532226672697918 (5.96332e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.53222667203163 (2.63124e-08% change) large trace change predicted (6.96583e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.532226670267724 (6.96583e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226668480772 (7.05684e-08% change) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667866964 (2.42398e-08% change) large trace change predicted (8.3148e-08%) linmin: converged after 4 iterations. iteration 427: trace = 2.532226665761488 (8.31472e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226664557271 (4.75556e-08% change) linmin: converged after 5 iterations. iteration 429: trace = 2.532226663045557 (5.9699e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226661052858 (7.86935e-08% change) linmin: converged after 4 iterations. iteration 431: trace = 2.532226659598508 (5.74337e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226658669453 (3.66893e-08% change) linmin: converged after 24 iterations. iteration 433: trace = 2.532226657248406 (5.61185e-08% change) linmin: converged after 14 iterations. iteration 434: trace = 2.532226656699661 (2.16705e-08% change) linmin: converged after 2 iterations. iteration 435: trace = 2.532226655867938 (3.28455e-08% change) linmin: converged after 5 iterations. iteration 436: trace = 2.532226655024534 (3.33068e-08% change) linmin: converged after 19 iterations. iteration 437: trace = 2.532226654853085 (6.77068e-09% change) large trace change predicted (3.93645e-08%) linmin: converged after 4 iterations. iteration 438: trace = 2.532226653856296 (3.93641e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.53222665306298 (3.13288e-08% change) linmin: converged after 21 iterations. iteration 440: trace = 2.53222665265887 (1.59587e-08% change) large trace change predicted (3.73354e-08%) linmin: converged after 19 iterations. iteration 441: trace = 2.532226651713459 (3.73352e-08% change) linmin: converged after 6 iterations. iteration 442: trace = 2.532226650865377 (3.34915e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.53222664982967 (4.0901e-08% change) linmin: converged after 4 iterations. iteration 444: trace = 2.5322266477675 (8.1437e-08% change) linmin: converged after 20 iterations. iteration 445: trace = 2.532226646830583 (3.69997e-08% change) linmin: converged after 6 iterations. iteration 446: trace = 2.532226645266039 (6.17853e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.532226643783507 (5.85466e-08% change) linmin: converged after 6 iterations. iteration 448: trace = 2.532226643465906 (1.25423e-08% change) large trace change predicted (3.35446e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642616482 (3.35446e-08% change) linmin: converged after 5 iterations. iteration 450: trace = 2.532226641792593 (3.25361e-08% change) linmin: converged after 15 iterations. iteration 451: trace = 2.532226640759845 (4.07842e-08% change) linmin: converged after 14 iterations. iteration 452: trace = 2.532226640549357 (8.31239e-09% change) large trace change predicted (4.66452e-08%) linmin: converged after 4 iterations. iteration 453: trace = 2.532226639368196 (4.66451e-08% change) linmin: converged after 18 iterations. iteration 454: trace = 2.532226639072773 (1.16666e-08% change) large trace change predicted (3.52873e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638179224 (3.52871e-08% change) linmin: converged after 5 iterations. iteration 456: trace = 2.532226637257508 (3.63994e-08% change) linmin: converged after 13 iterations. iteration 457: trace = 2.532226636962479 (1.1651e-08% change) large trace change predicted (5.34515e-08%) linmin: converged after 4 iterations. iteration 458: trace = 2.532226635608954 (5.3452e-08% change) linmin: converged after 4 iterations. iteration 459: trace = 2.532226634849473 (2.99926e-08% change) linmin: converged after 10 iterations. iteration 460: trace = 2.5322266339205 (3.6686e-08% change) linmin: converged after 7 iterations. iteration 461: trace = 2.532226632067301 (7.31845e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.53222663092042 (4.52914e-08% change) linmin: converged after 7 iterations. iteration 463: trace = 2.532226630252143 (2.63909e-08% change) linmin: converged after 4 iterations. iteration 464: trace = 2.53222662909794 (4.55806e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.53222662857571 (2.06233e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.532226628033396 (2.14165e-08% change) linmin: converged after 18 iterations. iteration 467: trace = 2.532226627130709 (3.56479e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226626986287 (5.70337e-09% change) large trace change predicted (2.75595e-08%) linmin: converged after 12 iterations. iteration 469: trace = 2.532226626288405 (2.756e-08% change) linmin: converged after 18 iterations. iteration 470: trace = 2.532226625924587 (1.43675e-08% change) linmin: converged after 10 iterations. iteration 471: trace = 2.532226625614535 (1.22443e-08% change) large trace change predicted (2.89043e-08%) linmin: converged after 24 iterations. iteration 472: trace = 2.532226624882627 (2.89037e-08% change) linmin: converged after 6 iterations. iteration 473: trace = 2.532226624645749 (9.3545e-09% change) large trace change predicted (3.92612e-08%) linmin: converged after 7 iterations. iteration 474: trace = 2.53222662365157 (3.92611e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622203749 (5.71758e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226621786479 (1.64784e-08% change) large trace change predicted (3.44614e-08%) linmin: converged after 11 iterations. iteration 477: trace = 2.532226620913853 (3.44608e-08% change) linmin: converged after 10 iterations. iteration 478: trace = 2.532226620129062 (3.09921e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.532226619389769 (2.91954e-08% change) linmin: converged after 7 iterations. iteration 480: trace = 2.532226619121213 (1.06055e-08% change) large trace change predicted (3.13229e-08%) linmin: converged after 8 iterations. iteration 481: trace = 2.532226618328066 (3.13221e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618071341 (1.01383e-08% change) large trace change predicted (2.20549e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226617512868 (2.20546e-08% change) linmin: converged after 28 iterations. iteration 484: trace = 2.532226617158118 (1.40094e-08% change) linmin: converged after 15 iterations. iteration 485: trace = 2.532226616990453 (6.62123e-09% change) linmin: converged after 4 iterations. iteration 486: trace = 2.532226616740968 (9.85241e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226616452942 (1.13744e-08% change) linmin: converged after 24 iterations. iteration 488: trace = 2.532226616350514 (4.04497e-09% change) large trace change predicted (6.3693e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.532226614737656 (6.36932e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226614356043 (1.50703e-08% change) linmin: converged after 8 iterations. iteration 491: trace = 2.532226613708098 (2.5588e-08% change) linmin: converged after 12 iterations. iteration 492: trace = 2.532226613481639 (8.94305e-09% change) linmin: converged after 18 iterations. iteration 493: trace = 2.532226613390855 (3.58517e-09% change) large trace change predicted (1.11045e-08%) linmin: converged after 4 iterations. iteration 494: trace = 2.53222661310966 (1.11046e-08% change) linmin: converged after 9 iterations. iteration 495: trace = 2.532226612978538 (5.17814e-09% change) linmin: converged after 19 iterations. iteration 496: trace = 2.532226612818014 (6.33924e-09% change) linmin: converged after 10 iterations. iteration 497: trace = 2.532226612499707 (1.25702e-08% change) linmin: converged after 15 iterations. iteration 498: trace = 2.532226612400562 (3.91533e-09% change) large trace change predicted (7.90845e-09%) linmin: converged after 8 iterations. iteration 499: trace = 2.532226612200308 (7.90822e-09% change) linmin: converged after 4 iterations. iteration 500: trace = 2.53222661183032 (1.46112e-08% change) linmin: converged after 28 iterations. iteration 501: trace = 2.532226611735656 (3.73838e-09% change) large trace change predicted (1.68449e-08%) linmin: converged after 8 iterations. iteration 502: trace = 2.532226611309096 (1.68452e-08% change) linmin: converged after 7 iterations. iteration 503: trace = 2.532226611086553 (8.78841e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226610879799 (8.16492e-09% change) linmin: converged after 4 iterations. iteration 505: trace = 2.532226610487903 (1.54764e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.532226610342944 (5.72457e-09% change) linmin: converged after 7 iterations. iteration 507: trace = 2.532226610129535 (8.42773e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.532226609834197 (1.16631e-08% change) linmin: converged after 4 iterations. iteration 509: trace = 2.532226609773988 (2.37772e-09% change) large trace change predicted (8.23506e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.53222660956545 (8.23536e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.532226609408117 (6.21326e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.53222660933298 (2.96722e-09% change) linmin: converged after 2 iterations. iteration 513: trace = 2.532226609216779 (4.58888e-09% change) linmin: converged after 10 iterations. iteration 514: trace = 2.532226609064996 (5.99405e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.532226609028991 (1.42187e-09% change) large trace change predicted (7.63343e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226608835697 (7.63335e-09% change) linmin: converged after 5 iterations. iteration 517: trace = 2.532226608740671 (3.75267e-09% change) linmin: converged after 5 iterations. iteration 518: trace = 2.532226608638877 (4.01993e-09% change) large trace change predicted (9.54797e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608397102 (9.54792e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608167098 (9.08309e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608041733 (4.95077e-09% change) linmin: converged after 5 iterations. iteration 522: trace = 2.53222660792103 (4.76667e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226607757263 (6.4673e-09% change) linmin: converged after 5 iterations. iteration 524: trace = 2.53222660773012 (1.07191e-09% change) large trace change predicted (5.23063e-09%) linmin: converged after 13 iterations. iteration 525: trace = 2.532226607597675 (5.23038e-09% change) linmin: converged after 4 iterations. iteration 526: trace = 2.532226607534311 (2.50229e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.532226607480542 (2.12341e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607400952 (3.14309e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607343637 (2.26341e-09% change) linmin: converged after 3 iterations. iteration 530: trace = 2.532226607300956 (1.68553e-09% change) linmin: converged after 15 iterations. iteration 531: trace = 2.532226607228981 (2.84237e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.532226607211765 (6.79841e-10% change) large trace change predicted (3.69043e-09%) linmin: converged after 15 iterations. iteration 533: trace = 2.532226607118313 (3.69054e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607036424 (3.23386e-09% change) linmin: converged after 4 iterations. iteration 535: trace = 2.532226606999509 (1.45782e-09% change) large trace change predicted (5.07904e-09%) linmin: converged after 2 iterations. iteration 536: trace = 2.532226606870895 (5.07905e-09% change) linmin: converged after 8 iterations. iteration 537: trace = 2.532226606759332 (4.40575e-09% change) linmin: converged after 9 iterations. iteration 538: trace = 2.532226606732932 (1.04257e-09% change) large trace change predicted (3.51654e-09%) linmin: converged after 24 iterations. iteration 539: trace = 2.53222660664388 (3.51674e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226606579878 (2.5275e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606566752 (5.18356e-10% change) large trace change predicted (1.66753e-09%) linmin: converged after 4 iterations. iteration 542: trace = 2.532226606524528 (1.66743e-09% change) linmin: converged after 24 iterations. iteration 543: trace = 2.532226606503792 (8.18914e-10% change) linmin: converged after 9 iterations. iteration 544: trace = 2.53222660648796 (6.25194e-10% change) large trace change predicted (1.9985e-09%) linmin: converged after 17 iterations. iteration 545: trace = 2.53222660643734 (1.99906e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.532226606428637 (3.43682e-10% change) large trace change predicted (1.91697e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606380086 (1.9173e-09% change) linmin: converged after 4 iterations. iteration 548: trace = 2.532226606316409 (2.51468e-09% change) linmin: converged after 22 iterations. iteration 549: trace = 2.532226606270019 (1.83198e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606238847 (1.23101e-09% change) large trace change predicted (3.38359e-09%) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606153159 (3.38388e-09% change) linmin: converged after 21 iterations. iteration 552: trace = 2.532226606112784 (1.59444e-09% change) linmin: converged after 8 iterations. iteration 553: trace = 2.532226606078401 (1.35782e-09% change) linmin: converged after 17 iterations. iteration 554: trace = 2.532226606014963 (2.50523e-09% change) linmin: converged after 5 iterations. iteration 555: trace = 2.532226605994184 (8.2058e-10% change) linmin: converged after 22 iterations. iteration 556: trace = 2.532226605957052 (1.46638e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.532226605918465 (1.52383e-09% change) linmin: converged after 18 iterations. iteration 558: trace = 2.532226605910012 (3.33809e-10% change) large trace change predicted (1.30843e-09%) linmin: converged after 2 iterations. iteration 559: trace = 2.532226605876871 (1.30879e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.532226605863193 (5.40155e-10% change) linmin: converged after 4 iterations. iteration 561: trace = 2.53222660585212 (4.3728e-10% change) large trace change predicted (1.02576e-09%) linmin: converged after 4 iterations. iteration 562: trace = 2.532226605826152 (1.02551e-09% change) linmin: converged after 14 iterations. iteration 563: trace = 2.532226605814464 (4.61587e-10% change) large trace change predicted (9.7626e-10%) linmin: converged after 10 iterations. iteration 564: trace = 2.53222660578974 (9.76365e-10% change) linmin: converged after 5 iterations. iteration 565: trace = 2.532226605744299 (1.79451e-09% change) linmin: converged after 11 iterations. iteration 566: trace = 2.532226605734294 (3.95102e-10% change) large trace change predicted (2.04494e-09%) linmin: converged after 2 iterations. iteration 567: trace = 2.53222660568251 (2.04501e-09% change) linmin: converged after 12 iterations. iteration 568: trace = 2.532226605633589 (1.93193e-09% change) linmin: converged after 15 iterations. iteration 569: trace = 2.532226605613713 (7.84926e-10% change) large trace change predicted (1.75747e-09%) linmin: converged after 9 iterations. iteration 570: trace = 2.532226605569216 (1.7572e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605542166 (1.06824e-09% change) linmin: converged after 18 iterations. iteration 572: trace = 2.532226605527237 (5.89541e-10% change) large trace change predicted (1.24834e-09%) linmin: converged after 8 iterations. iteration 573: trace = 2.532226605495628 (1.2483e-09% change) linmin: converged after 4 iterations. iteration 574: trace = 2.532226605490959 (1.84372e-10% change) large trace change predicted (1.04917e-09%) linmin: converged after 5 iterations. iteration 575: trace = 2.532226605464379 (1.04965e-09% change) linmin: converged after 9 iterations. iteration 576: trace = 2.532226605451706 (5.00485e-10% change) linmin: converged after 15 iterations. iteration 577: trace = 2.532226605442634 (3.58238e-10% change) large trace change predicted (8.04118e-10%) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605422269 (8.04235e-10% change) linmin: converged after 16 iterations. iteration 579: trace = 2.532226605397448 (9.80223e-10% change) linmin: converged after 14 iterations. iteration 580: trace = 2.532226605389615 (3.09344e-10% change) large trace change predicted (1.03181e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.532226605363478 (1.03215e-09% change) linmin: converged after 19 iterations. iteration 582: trace = 2.532226605339899 (9.31171e-10% change) linmin: converged after 9 iterations. iteration 583: trace = 2.532226605322448 (6.89154e-10% change) large trace change predicted (1.48305e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.532226605284889 (1.48322e-09% change) linmin: converged after 9 iterations. iteration 585: trace = 2.532226605252411 (1.2826e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.53222660523769 (5.81351e-10% change) large trace change predicted (1.69467e-09%) linmin: converged after 10 iterations. iteration 587: trace = 2.532226605194783 (1.69442e-09% change) linmin: converged after 3 iterations. iteration 588: trace = 2.532226605169754 (9.88449e-10% change) linmin: converged after 9 iterations. iteration 589: trace = 2.53222660516193 (3.08941e-10% change) large trace change predicted (8.09546e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.532226605141435 (8.09391e-10% change) linmin: converged after 4 iterations. iteration 591: trace = 2.532226605122277 (7.56568e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.532226605113052 (3.64289e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.532226605096785 (6.42399e-10% change) linmin: converged after 11 iterations. iteration 594: trace = 2.532226605071255 (1.00823e-09% change) linmin: converged after 15 iterations. iteration 595: trace = 2.532226605065208 (2.38773e-10% change) large trace change predicted (1.11555e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.532226605036951 (1.11591e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605011912 (9.88799e-10% change) linmin: converged after 4 iterations. iteration 598: trace = 2.532226604999558 (4.87893e-10% change) large trace change predicted (1.53438e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.532226604960699 (1.53457e-09% change) linmin: converged after 6 iterations. iteration 600: trace = 2.532226604943441 (6.81542e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.532226604920721 (8.97218e-10% change) linmin: converged after 2 iterations. iteration 602: trace = 2.5322266048963 (9.64405e-10% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226604890242 (2.39229e-10% change) large trace change predicted (1.21565e-09%) linmin: converged after 8 iterations. iteration 604: trace = 2.532226604859475 (1.21502e-09% change) linmin: converged after 4 iterations. iteration 605: trace = 2.532226604847395 (4.77055e-10% change) linmin: converged after 15 iterations. iteration 606: trace = 2.532226604835143 (4.83842e-10% change) linmin: converged after 7 iterations. iteration 607: trace = 2.532226604817381 (7.01465e-10% change) linmin: converged after 15 iterations. iteration 608: trace = 2.532226604797039 (8.03323e-10% change) linmin: converged after 3 iterations. iteration 609: trace = 2.532226604793828 (1.26796e-10% change) large trace change predicted (5.90518e-10%) linmin: converged after 8 iterations. iteration 610: trace = 2.532226604778882 (5.90225e-10% change) linmin: converged after 12 iterations. iteration 611: trace = 2.532226604768759 (3.99785e-10% change) linmin: converged after 2 iterations. iteration 612: trace = 2.532226604763534 (2.06346e-10% change) large trace change predicted (6.45542e-10%) linmin: converged after 4 iterations. iteration 613: trace = 2.532226604747184 (6.45678e-10% change) linmin: converged after 15 iterations. iteration 614: trace = 2.532226604715724 (1.24236e-09% change) linmin: converged after 11 iterations. iteration 615: trace = 2.532226604710788 (1.94947e-10% change) large trace change predicted (1.09362e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604683095 (1.0936e-09% change) linmin: converged after 25 iterations. iteration 617: trace = 2.532226604661638 (8.47377e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604657047 (1.81285e-10% change) large trace change predicted (6.95973e-10%) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604639426 (6.95888e-10% change) linmin: converged after 17 iterations. iteration 620: trace = 2.532226604627763 (4.60552e-10% change) linmin: converged after 9 iterations. iteration 621: trace = 2.532226604623508 (1.68062e-10% change) large trace change predicted (5.33152e-10%) linmin: converged after 6 iterations. iteration 622: trace = 2.532226604609999 (5.33473e-10% change) linmin: converged after 6 iterations. iteration 623: trace = 2.532226604598838 (4.40752e-10% change) linmin: converged after 9 iterations. iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 4.782995223999023 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.553205790621448 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.488913238697005 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199254755904 (0.957345% change) linmin: converged after 8 iterations. iteration 4: trace = 2.460842870020524 (0.176872% change) large trace change predicted (0.41962%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658433528779 (0.414718% change) linmin: converged after 4 iterations. iteration 6: trace = 2.44793737247712 (0.111096% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239313495162 (0.110278% change) linmin: converged after 3 iterations. iteration 8: trace = 2.442317503762355 (0.119561% change) linmin: converged after 4 iterations. iteration 9: trace = 2.441409215710333 (0.0371965% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907628170731 (0.0615239% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940340313637 (0.0206679% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989968456584 (0.0169496% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435761904823 (0.0227254% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281771534775 (0.00631533% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911257135296 (0.0151969% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756492356261 (0.00634845% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475053090656 (0.0115457% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033013528584 (0.0181368% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850970476376 (0.00747014% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522596811718 (0.0134762% change) linmin: converged after 4 iterations. iteration 21: trace = 2.436395585286843 (0.00521296% change) large trace change predicted (0.0178791%) linmin: converged after 4 iterations. iteration 22: trace = 2.43595471994275 (0.0180966% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746502242666 (0.00854805% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488727702074 (0.0105835% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193433965148 (0.0121254% change) linmin: converged after 7 iterations. iteration 26: trace = 2.435111803466801 (0.00335217% change) large trace change predicted (0.0170019%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694804084818 (0.0171259% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620961955467 (0.00303296% change) large trace change predicted (0.0100121%) linmin: converged after 3 iterations. iteration 29: trace = 2.43437688615835 (0.0100257% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193209974826 (0.00754539% change) linmin: converged after 3 iterations. iteration 31: trace = 2.43408129616119 (0.00459768% change) linmin: converged after 7 iterations. iteration 32: trace = 2.43391401671721 (0.00687262% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862481255047 (0.00211741% change) large trace change predicted (0.00703863%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691129389797 (0.00704057% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624304194898 (0.00274587% change) large trace change predicted (0.00707824%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451857381121 (0.00708626% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377299996253 (0.0030639% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271894258777 (0.00433176% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178234182453 (0.00384922% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135864364515 (0.00174135% change) large trace change predicted (0.00592597%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991500184515 (0.00593343% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956063817808 (0.0014565% change) large trace change predicted (0.0070595%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783990955872 (0.00707283% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719839586028 (0.00263699% change) large trace change predicted (0.00567853%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580667128755 (0.00572102% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479336362056 (0.00416565% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285019119929 (0.00798876% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170765713327 (0.00469748% change) linmin: converged after 3 iterations. iteration 49: trace = 2.43205259750985 (0.00485867% change) linmin: converged after 3 iterations. iteration 50: trace = 2.431877499914179 (0.00719984% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795698368098 (0.00336378% change) linmin: converged after 5 iterations. iteration 52: trace = 2.431696362779601 (0.00408495% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636735215938 (0.00245213% change) large trace change predicted (0.00592308%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492380695374 (0.00593669% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457137418089 (0.00144946% change) large trace change predicted (0.00664172%) linmin: converged after 5 iterations. iteration 56: trace = 2.431295722204049 (0.00663884% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257057177065 (0.00159032% change) large trace change predicted (0.00464771%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144068753099 (0.00464743% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090029143752 (0.00222283% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016690053393 (0.00301676% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957035925643 (0.00245391% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908601939359 (0.0019924% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849617811282 (0.00242645% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813232221527 (0.00149684% change) linmin: converged after 4 iterations. iteration 65: trace = 2.430743311495022 (0.00287647% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720436219301 (0.000941086% change) large trace change predicted (0.00257259%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657818551803 (0.00257613% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628246220045 (0.00121665% change) large trace change predicted (0.00251853%) linmin: converged after 3 iterations. iteration 69: trace = 2.43056702477033 (0.00251878% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539098081382 (0.00114898% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504606749671 (0.00141909% change) linmin: converged after 5 iterations. iteration 72: trace = 2.430479149459877 (0.00104741% change) linmin: converged after 16 iterations. iteration 73: trace = 2.430467696999023 (0.000471203% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449159324092 (0.000762723% change) linmin: converged after 4 iterations. iteration 75: trace = 2.430430808529334 (0.00075504% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421391604532 (0.00038746% change) large trace change predicted (0.000998066%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397160154567 (0.000997011% change) linmin: converged after 4 iterations. iteration 78: trace = 2.430362041417878 (0.00144499% change) linmin: converged after 5 iterations. iteration 79: trace = 2.430349773461511 (0.00050478% change) large trace change predicted (0.00196753%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301915585337 (0.0019692% change) linmin: converged after 3 iterations. iteration 81: trace = 2.430250372503576 (0.00212087% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430232623395246 (0.000730343% change) large trace change predicted (0.0037629%) linmin: converged after 4 iterations. iteration 83: trace = 2.4301412371588 (0.00376046% change) linmin: converged after 3 iterations. iteration 84: trace = 2.43010514343224 (0.00148526% change) linmin: converged after 4 iterations. iteration 85: trace = 2.430052021784968 (0.00218601% change) linmin: converged after 3 iterations. iteration 86: trace = 2.430006083395427 (0.00189045% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964346006139 (0.0017176% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930826247921 (0.00137944% change) linmin: converged after 11 iterations. iteration 89: trace = 2.429891868073963 (0.00160328% change) linmin: converged after 4 iterations. iteration 90: trace = 2.429864867882209 (0.00111117% change) linmin: converged after 5 iterations. iteration 91: trace = 2.42984402391576 (0.000857828% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825103839935 (0.000778657% change) linmin: converged after 4 iterations. iteration 93: trace = 2.429820292443241 (0.000198014% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811482297379 (0.000362585% change) linmin: converged after 14 iterations. iteration 95: trace = 2.429799286673712 (0.000501918% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796371916487 (0.000119959% change) large trace change predicted (0.000516904%) linmin: converged after 3 iterations. iteration 97: trace = 2.429783813738664 (0.000516842% change) linmin: converged after 3 iterations. iteration 98: trace = 2.429779151397187 (0.000191883% change) large trace change predicted (0.000403624%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769350189761 (0.000403379% change) linmin: converged after 4 iterations. iteration 100: trace = 2.429751340478064 (0.000741213% change) linmin: converged after 5 iterations. iteration 101: trace = 2.429742382082464 (0.000368697% change) large trace change predicted (0.00142086%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707985013141 (0.00141568% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664848526827 (0.00177539% change) linmin: converged after 5 iterations. iteration 104: trace = 2.429647100743156 (0.000730465% change) large trace change predicted (0.00236241%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590054218317 (0.00234796% change) linmin: converged after 4 iterations. iteration 106: trace = 2.429562480259027 (0.00113493% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535154296641 (0.00112473% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519732903807 (0.000634749% change) linmin: converged after 4 iterations. iteration 109: trace = 2.42951219614592 (0.000310216% change) linmin: converged after 5 iterations. iteration 110: trace = 2.429498081352979 (0.000580974% change) linmin: converged after 10 iterations. iteration 111: trace = 2.429487760929294 (0.000424797% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483243074665 (0.000185959% change) large trace change predicted (0.000475034%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471695092463 (0.000475328% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465138123002 (0.000269893% change) linmin: converged after 4 iterations. iteration 115: trace = 2.42945938055594 (0.000236989% change) large trace change predicted (0.000647843%) linmin: converged after 4 iterations. iteration 116: trace = 2.42944361413424 (0.00064897% change) linmin: converged after 14 iterations. iteration 117: trace = 2.429438400041199 (0.000214621% change) large trace change predicted (0.000450964%) linmin: converged after 3 iterations. iteration 118: trace = 2.429427430525862 (0.000451526% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413713505623 (0.000564621% change) linmin: converged after 3 iterations. iteration 120: trace = 2.4294083390858 (0.000221223% change) large trace change predicted (0.000901689%) linmin: converged after 4 iterations. iteration 121: trace = 2.429386329284622 (0.000905978% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375863255854 (0.00043081% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364826988096 (0.000454285% change) large trace change predicted (0.00110555%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337840515783 (0.00111085% change) linmin: converged after 4 iterations. iteration 125: trace = 2.42933410208479 (0.000153887% change) large trace change predicted (0.00052566%) linmin: converged after 5 iterations. iteration 126: trace = 2.429321314845719 (0.000526369% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312599559619 (0.000358755% change) linmin: converged after 5 iterations. iteration 128: trace = 2.429307021087118 (0.000229632% change) linmin: converged after 5 iterations. iteration 129: trace = 2.42929958575789 (0.000306068% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296539788722 (0.000125385% change) linmin: converged after 4 iterations. iteration 131: trace = 2.429294305400699 (9.19768e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.429292122600523 (8.98533e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.429291314686784 (3.32572e-05% change) large trace change predicted (0.000157942%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287476323366 (0.000158004% change) linmin: converged after 3 iterations. iteration 135: trace = 2.42928576979761 (7.0248e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429284010270354 (7.24298e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.429281362485154 (0.000108995% change) linmin: converged after 4 iterations. iteration 138: trace = 2.42927809653981 (0.000134441% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275607822539 (0.000102447% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274093062705 (6.23544e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.429272890958271 (4.94841e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271249541947 (6.75682e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270207995202 (4.28749e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268640513438 (6.45248e-05% change) linmin: converged after 10 iterations. iteration 145: trace = 2.429267029976984 (6.62972e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.42926645766938 (2.35589e-05% change) large trace change predicted (8.02167e-05%) linmin: converged after 5 iterations. iteration 147: trace = 2.429264509693013 (8.01879e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263383610925 (4.63549e-05% change) linmin: converged after 14 iterations. iteration 149: trace = 2.429261898029446 (6.11536e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259843228488 (8.45854e-05% change) linmin: converged after 9 iterations. iteration 151: trace = 2.429257075160755 (0.000113947% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255780909553 (5.32777e-05% change) large trace change predicted (0.000132524%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252563104281 (0.000132461% change) linmin: converged after 3 iterations. iteration 154: trace = 2.42925184933551 (2.93822e-05% change) large trace change predicted (0.000122656%) linmin: converged after 4 iterations. iteration 155: trace = 2.429248872589175 (0.000122538% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246901065232 (8.11578e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245882956419 (4.19105e-05% change) large trace change predicted (0.000117697%) linmin: converged after 5 iterations. iteration 158: trace = 2.429243024087283 (0.000117686% change) linmin: converged after 13 iterations. iteration 159: trace = 2.42924113639769 (7.77069e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240366777501 (3.16815e-05% change) large trace change predicted (9.46388e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.429238068403595 (9.46129e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429236539509766 (6.29372e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.429234987727312 (6.38795e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.429234256920607 (3.00838e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233883868129 (1.53568e-05% change) large trace change predicted (3.28506e-05%) linmin: converged after 4 iterations. iteration 166: trace = 2.429233085995593 (3.28446e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232295160021 (3.2555e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232102888984 (7.91489e-06% change) large trace change predicted (2.13645e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231583890314 (2.13647e-05% change) large trace change predicted (4.62072e-05%) linmin: converged after 4 iterations. iteration 170: trace = 2.429230460568542 (4.62419e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.429230047862521 (1.69892e-05% change) large trace change predicted (4.99371e-05%) linmin: converged after 5 iterations. iteration 172: trace = 2.429228834067868 (4.99662e-05% change) linmin: converged after 5 iterations. iteration 173: trace = 2.429226577625988 (9.28872e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225448690378 (4.64731e-05% change) large trace change predicted (0.00015282%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221725356604 (0.000153273% change) linmin: converged after 3 iterations. iteration 176: trace = 2.429220661944724 (4.37758e-05% change) large trace change predicted (0.000105601%) linmin: converged after 5 iterations. iteration 177: trace = 2.429218091704528 (0.000105805% change) linmin: converged after 4 iterations. iteration 178: trace = 2.429216795668937 (5.3352e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216318331167 (1.96499e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215476912975 (3.46374e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214875314416 (2.47651e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214663414664 (8.72297e-06% change) large trace change predicted (1.81869e-05%) linmin: converged after 4 iterations. iteration 183: trace = 2.429214221565788 (1.8189e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213984677035 (9.75166e-06% change) large trace change predicted (2.09936e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.429213474680934 (2.09943e-05% change) large trace change predicted (4.56717e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212365153615 (4.56744e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429212026400968 (1.3945e-05% change) large trace change predicted (3.94202e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.429211068770147 (3.94215e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.429209642033 (5.87325e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429209301935933 (1.40003e-05% change) large trace change predicted (9.25361e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.429207054553685 (9.2515e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.42920549670188 (6.41301e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.429204819776946 (2.78661e-05% change) large trace change predicted (8.18913e-05%) linmin: converged after 4 iterations. iteration 194: trace = 2.429202831236179 (8.18598e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201138362308 (6.96885e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200323012721 (3.35645e-05% change) large trace change predicted (8.31709e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198303567092 (8.31322e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196805629418 (6.16639e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.429196182943441 (2.56334e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.429195215532692 (3.98243e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.429194990200281 (9.27601e-06% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194618319072 (1.53088e-05% change) linmin: converged after 4 iterations. iteration 203: trace = 2.429193914553782 (2.89711e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193731764764 (7.52468e-06% change) large trace change predicted (2.08477e-05%) linmin: converged after 3 iterations. iteration 205: trace = 2.429193225342077 (2.08474e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.429192572523023 (2.68739e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.429192202283736 (1.52413e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.429191604892141 (2.45922e-05% change) large trace change predicted (7.48501e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.429189786723055 (7.48467e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.429189035226658 (3.09361e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429188353489596 (2.80644e-05% change) linmin: converged after 4 iterations. iteration 212: trace = 2.429188058780088 (1.2132e-05% change) linmin: converged after 10 iterations. iteration 213: trace = 2.429187704674257 (1.45771e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.429187256393432 (1.84539e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429187110358006 (6.0117e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.429186832885372 (1.14224e-05% change) large trace change predicted (2.48735e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429186228697037 (2.4872e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429186061814468 (6.8699e-06% change) large trace change predicted (2.04016e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429185566158758 (2.04042e-05% change) linmin: converged after 2 iterations. iteration 220: trace = 2.429185198851079 (1.51206e-05% change) linmin: converged after 11 iterations. iteration 221: trace = 2.429184968496556 (9.48279e-06% change) large trace change predicted (2.80155e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.429184287927164 (2.80164e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.429184089879073 (8.15286e-06% change) large trace change predicted (2.34384e-05%) linmin: converged after 3 iterations. iteration 224: trace = 2.429183520565823 (2.34364e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.429182938238127 (2.39722e-05% change) linmin: converged after 2 iterations. iteration 226: trace = 2.429182756518748 (7.48068e-06% change) large trace change predicted (2.1841e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.429182226031851 (2.18381e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181596068853 (2.59331e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.429181332945769 (1.08318e-05% change) large trace change predicted (2.65155e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.429180688903546 (2.65127e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 2.429179901322561 (3.24217e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.42917968824544 (8.77157e-06% change) large trace change predicted (1.7545e-05%) linmin: converged after 3 iterations. iteration 233: trace = 2.429179262082394 (1.75435e-05% change) linmin: converged after 2 iterations. iteration 234: trace = 2.429179059783791 (8.32786e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178948125327 (4.59655e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.429178815387207 (5.46432e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429178685026278 (5.36646e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.4291786422822 (1.75961e-06% change) large trace change predicted (6.3228e-06%) linmin: converged after 3 iterations. iteration 239: trace = 2.429178488726127 (6.32132e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.429178226328228 (1.08019e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429178098467372 (5.26354e-06% change) linmin: converged after 5 iterations. iteration 242: trace = 2.429177845535906 (1.04122e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.429177340626667 (2.07852e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429177176341105 (6.76301e-06% change) large trace change predicted (2.77559e-05%) linmin: converged after 5 iterations. iteration 245: trace = 2.429176502846627 (2.77252e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.429176238380631 (1.08871e-05% change) linmin: converged after 6 iterations. iteration 247: trace = 2.429175986076123 (1.03864e-05% change) linmin: converged after 7 iterations. iteration 248: trace = 2.429175577840264 (1.68055e-05% change) linmin: converged after 13 iterations. iteration 249: trace = 2.429175408961133 (6.95212e-06% change) large trace change predicted (1.3957e-05%) linmin: converged after 7 iterations. iteration 250: trace = 2.429175069993494 (1.3954e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.429174761872467 (1.26842e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.42917466887513 (3.82835e-06% change) large trace change predicted (1.30762e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.429174351289464 (1.30738e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.429174170497995 (7.44251e-06% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429174050528544 (4.93869e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173939539032 (4.56902e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.429173810486296 (5.31262e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.429173757768106 (2.17021e-06% change) large trace change predicted (7.01507e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429173587357009 (7.01519e-06% change) linmin: converged after 36 iterations. iteration 260: trace = 2.429173545915708 (1.70598e-06% change) large trace change predicted (1.32787e-05%) linmin: converged after 5 iterations. iteration 261: trace = 2.429173223315636 (1.32802e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.429172942481005 (1.15609e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172792162812 (6.18804e-06% change) large trace change predicted (2.2294e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.429172250254731 (2.23083e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171719172465 (2.18627e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429171518377716 (8.26598e-06% change) large trace change predicted (2.88089e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.429170817972117 (2.88331e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.42917067117088 (6.04327e-06% change) large trace change predicted (1.21646e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.429170375548563 (1.21697e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.429170141903263 (9.61832e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429170003374988 (5.7027e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169922373948 (3.33452e-06% change) large trace change predicted (9.25322e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169697564546 (9.25458e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.429169652963815 (1.83605e-06% change) large trace change predicted (9.25293e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169428190389 (9.2531e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429169269843783 (6.51855e-06% change) linmin: converged after 3 iterations. iteration 277: trace = 2.429169210874933 (2.42753e-06% change) large trace change predicted (7.91894e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429169018513845 (7.9188e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.429168919573291 (4.07302e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.429168871317946 (1.9865e-06% change) large trace change predicted (6.03567e-06%) linmin: converged after 4 iterations. iteration 281: trace = 2.429168724707311 (6.03542e-06% change) linmin: converged after 4 iterations. iteration 282: trace = 2.429168675783422 (2.01402e-06% change) large trace change predicted (4.60575e-06%) linmin: converged after 3 iterations. iteration 283: trace = 2.42916856390598 (4.60559e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.429168397455134 (6.85217e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.429168351774628 (1.8805e-06% change) large trace change predicted (3.89849e-06%) linmin: converged after 4 iterations. iteration 286: trace = 2.429168257067436 (3.89875e-06% change) linmin: converged after 3 iterations. iteration 287: trace = 2.42916808912151 (6.91372e-06% change) linmin: converged after 29 iterations. iteration 288: trace = 2.429168054476065 (1.42623e-06% change) large trace change predicted (7.91204e-06%) linmin: converged after 7 iterations. iteration 289: trace = 2.429167862358921 (7.90876e-06% change) linmin: converged after 10 iterations. iteration 290: trace = 2.429167719322011 (5.88831e-06% change) linmin: converged after 4 iterations. iteration 291: trace = 2.429167544468004 (7.1981e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.42916731615927 (9.39864e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.42916720194087 (4.70196e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.429167017783616 (7.58109e-06% change) linmin: converged after 4 iterations. iteration 295: trace = 2.429166747503431 (1.11265e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.42916668283277 (2.66226e-06% change) large trace change predicted (6.80606e-06%) linmin: converged after 4 iterations. iteration 297: trace = 2.429166517536004 (6.80467e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.429166300607401 (8.93017e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.429166261200211 (1.62225e-06% change) large trace change predicted (4.19602e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.429166159264932 (4.19631e-06% change) linmin: converged after 5 iterations. iteration 301: trace = 2.42916607812563 (3.34021e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.42916604924301 (1.18899e-06% change) large trace change predicted (4.50338e-06%) linmin: converged after 5 iterations. iteration 303: trace = 2.42916593984982 (4.50332e-06% change) linmin: converged after 3 iterations. iteration 304: trace = 2.429165910075201 (1.22571e-06% change) large trace change predicted (2.50423e-06%) linmin: converged after 8 iterations. iteration 305: trace = 2.42916584924665 (2.50409e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.42916580294676 (1.906e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.42916572913721 (3.03847e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.429165710655394 (7.6083e-07% change) large trace change predicted (3.34149e-06%) linmin: converged after 4 iterations. iteration 309: trace = 2.429165629472555 (3.34201e-06% change) linmin: converged after 4 iterations. iteration 310: trace = 2.429165484534654 (5.96657e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165448799646 (1.47108e-06% change) large trace change predicted (7.07575e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165276853678 (7.0784e-06% change) linmin: converged after 25 iterations. iteration 313: trace = 2.429165180315826 (3.97412e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.429165104352876 (3.12712e-06% change) linmin: converged after 7 iterations. iteration 315: trace = 2.429164991533192 (4.64438e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.42916486536403 (5.19393e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164796374211 (2.84006e-06% change) large trace change predicted (6.44745e-06%) linmin: converged after 4 iterations. iteration 318: trace = 2.429164639704397 (6.44953e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164606546153 (1.36501e-06% change) large trace change predicted (3.25242e-06%) linmin: converged after 4 iterations. iteration 320: trace = 2.429164527531566 (3.25275e-06% change) linmin: converged after 5 iterations. iteration 321: trace = 2.429164438660931 (3.65849e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.429164419398778 (7.92954e-07% change) large trace change predicted (2.3526e-06%) linmin: converged after 4 iterations. iteration 323: trace = 2.429164362247049 (2.35273e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.429164306062881 (2.3129e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164293306547 (5.25133e-07% change) large trace change predicted (2.2169e-06%) linmin: converged after 2 iterations. iteration 326: trace = 2.4291642394545 (2.2169e-06% change) linmin: converged after 7 iterations. iteration 327: trace = 2.429164221111337 (7.55122e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.429164193894918 (1.1204e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.429164149591694 (1.82381e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429164063698702 (3.53591e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.429164024759665 (1.60298e-06% change) large trace change predicted (5.53348e-06%) linmin: converged after 2 iterations. iteration 332: trace = 2.429163890342143 (5.53349e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163765920217 (5.12201e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.429163655993809 (4.52528e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163482734742 (7.13246e-06% change) linmin: converged after 2 iterations. iteration 336: trace = 2.429163405761019 (3.16873e-06% change) linmin: converged after 15 iterations. iteration 337: trace = 2.429163327456446 (3.22352e-06% change) linmin: converged after 6 iterations. iteration 338: trace = 2.429163226055506 (4.17432e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163204380151 (8.92297e-07% change) large trace change predicted (3.49725e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.429163119431029 (3.49705e-06% change) linmin: converged after 20 iterations. iteration 341: trace = 2.429163077721464 (1.71703e-06% change) linmin: converged after 22 iterations. iteration 342: trace = 2.429163045872508 (1.31111e-06% change) linmin: converged after 5 iterations. iteration 343: trace = 2.429162992538449 (2.19557e-06% change) linmin: converged after 6 iterations. iteration 344: trace = 2.429162965495263 (1.11327e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.429162913274279 (2.14975e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.429162863235207 (2.05993e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.4291628456336 (7.24596e-07% change) large trace change predicted (1.77847e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.429162802430328 (1.77853e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.429162739935152 (2.5727e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 350: trace = 2.42916270053176 (1.6221e-06% change) linmin: converged after 9 iterations. iteration 351: trace = 2.429162686618872 (5.72744e-07% change) large trace change predicted (1.60545e-06%) linmin: converged after 11 iterations. iteration 352: trace = 2.429162647620967 (1.60541e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.429162612939828 (1.4277e-06% change) linmin: converged after 17 iterations. iteration 354: trace = 2.429162598742549 (5.84452e-07% change) large trace change predicted (2.42484e-06%) linmin: converged after 3 iterations. iteration 355: trace = 2.4291625398385 (2.42487e-06% change) linmin: converged after 10 iterations. iteration 356: trace = 2.4291625158628 (9.86994e-07% change) large trace change predicted (1.99257e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.429162467451931 (1.9929e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.429162425156038 (1.74117e-06% change) linmin: converged after 8 iterations. iteration 359: trace = 2.42916241150935 (5.61786e-07% change) large trace change predicted (2.05754e-06%) linmin: converged after 2 iterations. iteration 360: trace = 2.429162361526912 (2.0576e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162305005736 (2.32678e-06% change) linmin: converged after 21 iterations. iteration 362: trace = 2.429162289033123 (6.57536e-07% change) large trace change predicted (2.59992e-06%) linmin: converged after 2 iterations. iteration 363: trace = 2.429162225874592 (2.60001e-06% change) linmin: converged after 8 iterations. iteration 364: trace = 2.42916215213349 (3.03566e-06% change) linmin: converged after 6 iterations. iteration 365: trace = 2.429162114735383 (1.53955e-06% change) large trace change predicted (4.12664e-06%) linmin: converged after 5 iterations. iteration 366: trace = 2.429162014485762 (4.12692e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161937969076 (3.14992e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.429161921258092 (6.87932e-07% change) large trace change predicted (2.36695e-06%) linmin: converged after 3 iterations. iteration 369: trace = 2.429161863759391 (2.36702e-06% change) linmin: converged after 11 iterations. iteration 370: trace = 2.429161849976834 (5.67379e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161834118966 (6.52812e-07% change) linmin: converged after 21 iterations. iteration 372: trace = 2.429161820346843 (5.6695e-07% change) linmin: converged after 8 iterations. iteration 373: trace = 2.429161810521062 (4.04493e-07% change) linmin: converged after 9 iterations. iteration 374: trace = 2.42916179531213 (6.26098e-07% change) linmin: converged after 20 iterations. iteration 375: trace = 2.429161771423542 (9.83409e-07% change) linmin: converged after 13 iterations. iteration 376: trace = 2.429161763830456 (3.1258e-07% change) large trace change predicted (9.95475e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161739650788 (9.95391e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.429161704218765 (1.45861e-06% change) linmin: converged after 14 iterations. iteration 379: trace = 2.429161693347212 (4.47543e-07% change) large trace change predicted (1.20818e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.429161664000104 (1.20812e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.429161611934315 (2.14336e-06% change) linmin: converged after 10 iterations. iteration 382: trace = 2.429161601574118 (4.26493e-07% change) large trace change predicted (2.10697e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.429161550399598 (2.10667e-06% change) linmin: converged after 17 iterations. iteration 384: trace = 2.429161522993279 (1.12822e-06% change) linmin: converged after 10 iterations. iteration 385: trace = 2.429161500564571 (9.23311e-07% change) linmin: converged after 7 iterations. iteration 386: trace = 2.429161456703279 (1.80561e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161415467751 (1.69752e-06% change) linmin: converged after 16 iterations. iteration 388: trace = 2.429161393304343 (9.12389e-07% change) large trace change predicted (1.89859e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.429161347186578 (1.89851e-06% change) linmin: converged after 7 iterations. iteration 390: trace = 2.429161324950827 (9.15367e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.429161317015616 (3.26665e-07% change) large trace change predicted (8.59745e-07%) linmin: converged after 4 iterations. iteration 392: trace = 2.429161296131448 (8.59728e-07% change) linmin: converged after 2 iterations. iteration 393: trace = 2.429161291181173 (2.03785e-07% change) large trace change predicted (5.29641e-07%) linmin: converged after 5 iterations. iteration 394: trace = 2.429161278315192 (5.29647e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161265356961 (5.33445e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.429161261869211 (1.43578e-07% change) large trace change predicted (8.36476e-07%) linmin: converged after 2 iterations. iteration 397: trace = 2.429161241549844 (8.36477e-07% change) linmin: converged after 15 iterations. iteration 398: trace = 2.429161218388045 (9.5349e-07% change) linmin: converged after 4 iterations. iteration 399: trace = 2.429161210937119 (3.06728e-07% change) large trace change predicted (8.14179e-07%) linmin: converged after 3 iterations. iteration 400: trace = 2.429161191159865 (8.1416e-07% change) linmin: converged after 10 iterations. iteration 401: trace = 2.42916115839568 (1.34879e-06% change) linmin: converged after 10 iterations. iteration 402: trace = 2.429161140878337 (7.21127e-07% change) large trace change predicted (1.49051e-06%) linmin: converged after 20 iterations. iteration 403: trace = 2.429161104667986 (1.49065e-06% change) linmin: converged after 11 iterations. iteration 404: trace = 2.429161083170334 (8.84983e-07% change) linmin: converged after 3 iterations. iteration 405: trace = 2.429161048270787 (1.43669e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.42916099920414 (2.0199e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.429160982945467 (6.69312e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.429160959714191 (9.5635e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.429160920962948 (1.59525e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.429160911946585 (3.71172e-07% change) large trace change predicted (9.33439e-07%) linmin: converged after 15 iterations. iteration 411: trace = 2.429160889269008 (9.33556e-07% change) linmin: converged after 4 iterations. iteration 412: trace = 2.429160866943898 (9.19046e-07% change) linmin: converged after 6 iterations. iteration 413: trace = 2.4291608614916 (2.24452e-07% change) large trace change predicted (5.07435e-07%) linmin: converged after 20 iterations. iteration 414: trace = 2.429160849164178 (5.07477e-07% change) linmin: converged after 7 iterations. iteration 415: trace = 2.42916083216274 (6.99889e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160826769361 (2.22026e-07% change) large trace change predicted (4.99169e-07%) linmin: converged after 23 iterations. iteration 417: trace = 2.429160814643395 (4.99183e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.429160802418464 (5.03257e-07% change) linmin: converged after 5 iterations. iteration 419: trace = 2.429160796221078 (2.55125e-07% change) resetting CG direction... linmin: converged after 17 iterations. iteration 420: trace = 2.429160790346842 (2.41822e-07% change) linmin: converged after 2 iterations. iteration 421: trace = 2.429160779915612 (4.29417e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.429160768544104 (4.68125e-07% change) linmin: converged after 3 iterations. iteration 423: trace = 2.42916076367561 (2.00419e-07% change) large trace change predicted (5.93356e-07%) linmin: converged after 23 iterations. iteration 424: trace = 2.429160749262659 (5.9333e-07% change) linmin: converged after 3 iterations. iteration 425: trace = 2.429160738203669 (4.5526e-07% change) linmin: converged after 16 iterations. iteration 426: trace = 2.429160734104865 (1.68733e-07% change) large trace change predicted (7.28314e-07%) linmin: converged after 4 iterations. iteration 427: trace = 2.429160716414508 (7.2825e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.429160706502238 (4.08053e-07% change) linmin: converged after 14 iterations. iteration 429: trace = 2.429160692077318 (5.93823e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160667097955 (1.02831e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.429160655367485 (4.82902e-07% change) linmin: converged after 6 iterations. iteration 432: trace = 2.429160640748588 (6.01809e-07% change) large trace change predicted (1.2155e-06%) linmin: converged after 8 iterations. iteration 433: trace = 2.429160611227006 (1.2153e-06% change) linmin: converged after 11 iterations. iteration 434: trace = 2.429160602749563 (3.48987e-07% change) large trace change predicted (1.02435e-06%) linmin: converged after 3 iterations. iteration 435: trace = 2.429160577870109 (1.0242e-06% change) linmin: converged after 9 iterations. iteration 436: trace = 2.429160558905898 (7.8069e-07% change) linmin: converged after 9 iterations. iteration 437: trace = 2.429160552631934 (2.58277e-07% change) large trace change predicted (7.65455e-07%) linmin: converged after 8 iterations. iteration 438: trace = 2.429160534039245 (7.65396e-07% change) linmin: converged after 7 iterations. iteration 439: trace = 2.429160523677099 (4.26573e-07% change) linmin: converged after 5 iterations. iteration 440: trace = 2.42916051975533 (1.61445e-07% change) large trace change predicted (4.48006e-07%) linmin: converged after 5 iterations. iteration 441: trace = 2.429160508872857 (4.47993e-07% change) linmin: converged after 6 iterations. iteration 442: trace = 2.429160499818887 (3.7272e-07% change) linmin: converged after 20 iterations. iteration 443: trace = 2.429160497920686 (7.81423e-08% change) large trace change predicted (1.8902e-07%) linmin: converged after 3 iterations. iteration 444: trace = 2.429160493329062 (1.89021e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.429160488293158 (2.0731e-07% change) linmin: converged after 15 iterations. iteration 446: trace = 2.429160484353091 (1.62199e-07% change) large trace change predicted (3.93662e-07%) linmin: converged after 5 iterations. iteration 447: trace = 2.429160474790068 (3.93676e-07% change) linmin: converged after 11 iterations. iteration 448: trace = 2.429160471580279 (1.32136e-07% change) large trace change predicted (3.37821e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.429160463373595 (3.3784e-07% change) large trace change predicted (7.50168e-07%) linmin: converged after 4 iterations. iteration 450: trace = 2.429160445149095 (7.50239e-07% change) linmin: converged after 8 iterations. iteration 451: trace = 2.429160430415562 (6.06528e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.429160418995421 (4.70127e-07% change) linmin: converged after 7 iterations. iteration 453: trace = 2.429160408187375 (4.44929e-07% change) linmin: converged after 6 iterations. iteration 454: trace = 2.429160392174707 (6.59185e-07% change) linmin: converged after 14 iterations. iteration 455: trace = 2.429160389306145 (1.18089e-07% change) large trace change predicted (7.13829e-07%) linmin: converged after 5 iterations. iteration 456: trace = 2.429160371964514 (7.13894e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.429160366450214 (2.27004e-07% change) linmin: converged after 11 iterations. iteration 458: trace = 2.429160358240431 (3.37968e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.429160347465205 (4.43578e-07% change) linmin: converged after 4 iterations. iteration 460: trace = 2.429160344197699 (1.34512e-07% change) large trace change predicted (3.7424e-07%) linmin: converged after 5 iterations. iteration 461: trace = 2.429160335106463 (3.74254e-07% change) linmin: converged after 6 iterations. iteration 462: trace = 2.429160328738462 (2.62148e-07% change) linmin: converged after 6 iterations. iteration 463: trace = 2.429160326096865 (1.08745e-07% change) large trace change predicted (2.29086e-07%) linmin: converged after 13 iterations. iteration 464: trace = 2.42916032053192 (2.29089e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.429160316560381 (1.63494e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160314743921 (7.47773e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.429160311749455 (1.23272e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.429160306253959 (2.2623e-07% change) linmin: converged after 4 iterations. iteration 469: trace = 2.429160304081518 (8.94318e-08% change) large trace change predicted (5.13348e-07%) linmin: converged after 5 iterations. iteration 470: trace = 2.429160291611896 (5.13331e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.429160283833624 (3.20204e-07% change) linmin: converged after 16 iterations. iteration 472: trace = 2.429160275131582 (3.58233e-07% change) linmin: converged after 16 iterations. iteration 473: trace = 2.429160259073368 (6.6106e-07% change) linmin: converged after 4 iterations. iteration 474: trace = 2.429160247142288 (4.91161e-07% change) linmin: converged after 6 iterations. iteration 475: trace = 2.429160239085526 (3.31669e-07% change) linmin: converged after 7 iterations. iteration 476: trace = 2.42916022558022 (5.55966e-07% change) linmin: converged after 8 iterations. iteration 477: trace = 2.429160222701592 (1.18503e-07% change) large trace change predicted (4.17295e-07%) linmin: converged after 5 iterations. iteration 478: trace = 2.429160212565087 (4.17284e-07% change) linmin: converged after 5 iterations. iteration 479: trace = 2.429160204034741 (3.51164e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160202211879 (7.50408e-08% change) large trace change predicted (2.07523e-07%) linmin: converged after 13 iterations. iteration 481: trace = 2.429160197170912 (2.07519e-07% change) linmin: converged after 8 iterations. iteration 482: trace = 2.429160189434346 (3.18487e-07% change) linmin: converged after 3 iterations. iteration 483: trace = 2.429160186781246 (1.09219e-07% change) linmin: converged after 10 iterations. iteration 484: trace = 2.429160182012993 (1.96292e-07% change) linmin: converged after 6 iterations. iteration 485: trace = 2.429160177176469 (1.99103e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.429160174959482 (9.12656e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.429160171172834 (1.55883e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.429160166507869 (1.9204e-07% change) linmin: converged after 9 iterations. iteration 489: trace = 2.429160160202792 (2.59558e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.429160155170272 (2.07171e-07% change) linmin: converged after 7 iterations. iteration 491: trace = 2.429160151571659 (1.48142e-07% change) linmin: converged after 5 iterations. iteration 492: trace = 2.429160149556282 (8.2966e-08% change) linmin: converged after 10 iterations. iteration 493: trace = 2.429160146780887 (1.14253e-07% change) linmin: converged after 2 iterations. iteration 494: trace = 2.429160142508357 (1.75885e-07% change) linmin: converged after 6 iterations. iteration 495: trace = 2.429160139973566 (1.04348e-07% change) linmin: converged after 7 iterations. iteration 496: trace = 2.429160135710989 (1.75475e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.429160129290891 (2.64293e-07% change) linmin: converged after 21 iterations. iteration 498: trace = 2.429160127146059 (8.82952e-08% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160123941492 (1.31921e-07% change) linmin: converged after 15 iterations. iteration 500: trace = 2.429160119289382 (1.91511e-07% change) linmin: converged after 10 iterations. iteration 501: trace = 2.429160117349411 (7.98618e-08% change) large trace change predicted (2.72437e-07%) linmin: converged after 15 iterations. iteration 502: trace = 2.429160110731423 (2.72439e-07% change) linmin: converged after 18 iterations. iteration 503: trace = 2.429160106797444 (1.61948e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.429160100888619 (2.43246e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.429160090558906 (4.25238e-07% change) linmin: converged after 2 iterations. iteration 506: trace = 2.429160086442407 (1.69462e-07% change) linmin: converged after 14 iterations. iteration 507: trace = 2.429160080154664 (2.58844e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.429160072676628 (3.07845e-07% change) linmin: converged after 14 iterations. iteration 509: trace = 2.429160069911462 (1.13832e-07% change) linmin: converged after 13 iterations. iteration 510: trace = 2.429160066042389 (1.59276e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.429160062995054 (1.25448e-07% change) linmin: converged after 6 iterations. iteration 512: trace = 2.429160062364289 (2.59664e-08% change) large trace change predicted (6.72364e-08%) linmin: converged after 4 iterations. iteration 513: trace = 2.429160060730999 (6.72368e-08% change) linmin: converged after 9 iterations. iteration 514: trace = 2.429160059092071 (6.74689e-08% change) linmin: converged after 4 iterations. iteration 515: trace = 2.429160058640223 (1.8601e-08% change) large trace change predicted (1.37788e-07%) linmin: converged after 4 iterations. iteration 516: trace = 2.429160055293215 (1.37785e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.429160052668501 (1.0805e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.429160051444667 (5.0381e-08% change) large trace change predicted (1.56117e-07%) linmin: converged after 21 iterations. iteration 519: trace = 2.429160047652415 (1.56114e-07% change) linmin: converged after 5 iterations. iteration 520: trace = 2.429160043638118 (1.65255e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.429160041837858 (7.41104e-08% change) linmin: converged after 5 iterations. iteration 522: trace = 2.429160038508229 (1.37069e-07% change) linmin: converged after 35 iterations. iteration 523: trace = 2.429160032321545 (2.54684e-07% change) linmin: converged after 4 iterations. iteration 524: trace = 2.429160031307016 (4.17646e-08% change) large trace change predicted (2.14345e-07%) linmin: converged after 4 iterations. iteration 525: trace = 2.429160026100677 (2.14327e-07% change) linmin: converged after 4 iterations. iteration 526: trace = 2.429160023199376 (1.19436e-07% change) linmin: converged after 5 iterations. iteration 527: trace = 2.429160019372536 (1.57538e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.42916001545453 (1.61291e-07% change) linmin: converged after 24 iterations. iteration 529: trace = 2.429160013400103 (8.45735e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.42916001041666 (1.22818e-07% change) linmin: converged after 26 iterations. iteration 531: trace = 2.4291600078618 (1.05175e-07% change) linmin: converged after 9 iterations. iteration 532: trace = 2.429160006365997 (6.15769e-08% change) linmin: converged after 6 iterations. iteration 533: trace = 2.429160005060261 (5.37526e-08% change) linmin: converged after 5 iterations. iteration 534: trace = 2.429160003164485 (7.80424e-08% change) linmin: converged after 23 iterations. iteration 535: trace = 2.42916000262062 (2.2389e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429160001707465 (3.75914e-08% change) linmin: converged after 6 iterations. iteration 537: trace = 2.42915999996646 (7.16711e-08% change) linmin: converged after 5 iterations. iteration 538: trace = 2.429159999583672 (1.5758e-08% change) large trace change predicted (1.14684e-07%) linmin: converged after 4 iterations. iteration 539: trace = 2.429159996797819 (1.14684e-07% change) linmin: converged after 42 iterations. iteration 540: trace = 2.429159994434252 (9.72998e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159992983682 (5.97149e-08% change) large trace change predicted (1.32497e-07%) linmin: converged after 4 iterations. iteration 542: trace = 2.429159989765094 (1.32498e-07% change) linmin: converged after 22 iterations. iteration 543: trace = 2.429159986006735 (1.54718e-07% change) linmin: converged after 14 iterations. iteration 544: trace = 2.429159984648221 (5.59252e-08% change) large trace change predicted (1.75215e-07%) linmin: converged after 8 iterations. iteration 545: trace = 2.429159980391693 (1.75226e-07% change) linmin: converged after 6 iterations. iteration 546: trace = 2.429159975868127 (1.86219e-07% change) linmin: converged after 6 iterations. iteration 547: trace = 2.42915997401394 (7.63304e-08% change) linmin: converged after 28 iterations. iteration 548: trace = 2.429159970899685 (1.28203e-07% change) linmin: converged after 6 iterations. iteration 549: trace = 2.429159969023587 (7.72324e-08% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159966923767 (8.64422e-08% change) linmin: converged after 22 iterations. iteration 551: trace = 2.42915996411646 (1.15567e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.429159963256416 (3.5405e-08% change) large trace change predicted (8.8105e-08%) linmin: converged after 7 iterations. iteration 553: trace = 2.429159961116178 (8.81061e-08% change) linmin: converged after 11 iterations. iteration 554: trace = 2.429159959850148 (5.2118e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159959204245 (2.65896e-08% change) large trace change predicted (7.54184e-08%) linmin: converged after 6 iterations. iteration 556: trace = 2.429159957372193 (7.54191e-08% change) linmin: converged after 9 iterations. iteration 557: trace = 2.429159956173438 (4.93485e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.429159955303898 (3.5796e-08% change) linmin: converged after 21 iterations. iteration 559: trace = 2.429159954282675 (4.20402e-08% change) resetting CG direction... linmin: converged after 27 iterations. iteration 560: trace = 2.4291599533282 (3.92924e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159952578358 (3.08684e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159951443056 (4.67364e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159950151545 (5.3167e-08% change) linmin: converged after 22 iterations. iteration 564: trace = 2.429159949375478 (3.1948e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159948162482 (4.99348e-08% change) linmin: converged after 4 iterations. iteration 566: trace = 2.4291599472449 (3.77736e-08% change) linmin: converged after 4 iterations. iteration 567: trace = 2.429159945643833 (6.59103e-08% change) linmin: converged after 5 iterations. iteration 568: trace = 2.429159943403913 (9.22097e-08% change) linmin: converged after 8 iterations. iteration 569: trace = 2.42915994270143 (2.89188e-08% change) large trace change predicted (8.76938e-08%) linmin: converged after 26 iterations. iteration 570: trace = 2.429159940571244 (8.76923e-08% change) linmin: converged after 4 iterations. iteration 571: trace = 2.429159938341358 (9.17966e-08% change) linmin: converged after 2 iterations. iteration 572: trace = 2.429159937434698 (3.7324e-08% change) large trace change predicted (1.16727e-07%) linmin: converged after 7 iterations. iteration 573: trace = 2.429159934599276 (1.16724e-07% change) linmin: converged after 11 iterations. iteration 574: trace = 2.429159932015457 (1.06367e-07% change) linmin: converged after 6 iterations. iteration 575: trace = 2.429159931189711 (3.39931e-08% change) large trace change predicted (8.44899e-08%) linmin: converged after 4 iterations. iteration 576: trace = 2.429159929137369 (8.44877e-08% change) linmin: converged after 9 iterations. iteration 577: trace = 2.429159927564719 (6.47405e-08% change) linmin: converged after 11 iterations. iteration 578: trace = 2.429159926618487 (3.89531e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159925434069 (4.87583e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159924270412 (4.79037e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159923930551 (1.39909e-08% change) large trace change predicted (3.59666e-08%) linmin: converged after 19 iterations. iteration 582: trace = 2.429159923056868 (3.59665e-08% change) linmin: converged after 4 iterations. iteration 583: trace = 2.429159922883604 (7.13267e-09% change) large trace change predicted (1.89981e-08%) linmin: converged after 6 iterations. iteration 584: trace = 2.429159922422107 (1.89982e-08% change) linmin: converged after 4 iterations. iteration 585: trace = 2.42915992158914 (3.42903e-08% change) linmin: converged after 38 iterations. iteration 586: trace = 2.42915992139257 (8.09211e-09% change) large trace change predicted (4.54423e-08%) linmin: converged after 15 iterations. iteration 587: trace = 2.429159920288687 (4.5443e-08% change) linmin: converged after 4 iterations. iteration 588: trace = 2.429159919525869 (3.14026e-08% change) linmin: converged after 22 iterations. iteration 589: trace = 2.429159918945448 (2.38939e-08% change) large trace change predicted (7.26257e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159917181199 (7.26279e-08% change) linmin: converged after 6 iterations. iteration 591: trace = 2.429159915582289 (6.58215e-08% change) linmin: converged after 7 iterations. iteration 592: trace = 2.429159913632309 (8.02739e-08% change) linmin: converged after 18 iterations. iteration 593: trace = 2.429159913160523 (1.94218e-08% change) large trace change predicted (7.30788e-08%) linmin: converged after 23 iterations. iteration 594: trace = 2.429159911385252 (7.30817e-08% change) linmin: converged after 8 iterations. iteration 595: trace = 2.429159910327386 (4.35486e-08% change) linmin: converged after 6 iterations. iteration 596: trace = 2.429159909261152 (4.38931e-08% change) linmin: converged after 9 iterations. iteration 597: trace = 2.429159908063157 (4.93173e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159907270598 (3.26268e-08% change) linmin: converged after 4 iterations. iteration 599: trace = 2.429159906645621 (2.57281e-08% change) linmin: converged after 19 iterations. iteration 600: trace = 2.429159905508479 (4.68121e-08% change) linmin: converged after 10 iterations. iteration 601: trace = 2.429159905267895 (9.904e-09% change) large trace change predicted (2.6928e-08%) linmin: converged after 4 iterations. iteration 602: trace = 2.429159904613762 (2.69284e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159903878265 (3.02778e-08% change) linmin: converged after 3 iterations. iteration 604: trace = 2.429159903713339 (6.78944e-09% change) large trace change predicted (2.14492e-08%) linmin: converged after 5 iterations. iteration 605: trace = 2.429159903192303 (2.14492e-08% change) linmin: converged after 19 iterations. iteration 606: trace = 2.429159902932113 (1.07111e-08% change) linmin: converged after 17 iterations. iteration 607: trace = 2.429159902765158 (6.87297e-09% change) large trace change predicted (3.11253e-08%) linmin: converged after 3 iterations. iteration 608: trace = 2.429159902009078 (3.11251e-08% change) linmin: converged after 8 iterations. iteration 609: trace = 2.429159901481877 (2.1703e-08% change) linmin: converged after 17 iterations. iteration 610: trace = 2.429159900588093 (3.67939e-08% change) linmin: converged after 4 iterations. iteration 611: trace = 2.42915989927498 (5.40563e-08% change) linmin: converged after 4 iterations. iteration 612: trace = 2.42915989861517 (2.7162e-08% change) large trace change predicted (5.86787e-08%) linmin: converged after 3 iterations. iteration 613: trace = 2.42915989718979 (5.86779e-08% change) linmin: converged after 8 iterations. iteration 614: trace = 2.429159895493415 (6.98338e-08% change) linmin: converged after 18 iterations. iteration 615: trace = 2.429159894934415 (2.30121e-08% change) large trace change predicted (5.43398e-08%) linmin: converged after 6 iterations. iteration 616: trace = 2.429159893614428 (5.43392e-08% change) linmin: converged after 11 iterations. iteration 617: trace = 2.429159892495774 (4.60511e-08% change) linmin: converged after 10 iterations. iteration 618: trace = 2.429159892304168 (7.88774e-09% change) large trace change predicted (3.69638e-08%) linmin: converged after 8 iterations. iteration 619: trace = 2.429159891406282 (3.69628e-08% change) linmin: converged after 4 iterations. iteration 620: trace = 2.429159890950887 (1.8747e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159890060528 (3.6653e-08% change) linmin: converged after 15 iterations. iteration 622: trace = 2.429159889869549 (7.86196e-09% change) large trace change predicted (2.69517e-08%) linmin: converged after 4 iterations. iteration 623: trace = 2.429159889214849 (2.69517e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.42915988888567 (1.35511e-08% change) linmin: converged after 3 iterations. iteration 625: trace = 2.429159888529328 (1.46694e-08% change) linmin: converged after 2 iterations. iteration 626: trace = 2.42915988800726 (2.14917e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159887835717 (7.0618e-09% change) large trace change predicted (1.67644e-08%) linmin: converged after 21 iterations. iteration 628: trace = 2.42915988742849 (1.67641e-08% change) large trace change predicted (1.49533e-07%) linmin: converged after 3 iterations. iteration 629: trace = 2.429159883796028 (1.49536e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.429159883038646 (3.11788e-08% change) linmin: converged after 4 iterations. iteration 631: trace = 2.429159881622925 (5.82803e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159881236958 (1.58889e-08% change) linmin: converged after 4 iterations. iteration 633: trace = 2.429159880753894 (1.98861e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159880061657 (2.8497e-08% change) linmin: converged after 7 iterations. iteration 635: trace = 2.429159879702636 (1.47796e-08% change) linmin: converged after 6 iterations. iteration 636: trace = 2.429159879341687 (1.4859e-08% change) linmin: converged after 6 iterations. iteration 637: trace = 2.429159879034207 (1.26579e-08% change) linmin: converged after 31 iterations. iteration 638: trace = 2.429159878958209 (3.12858e-09% change) large trace change predicted (1.65259e-08%) linmin: converged after 6 iterations. iteration 639: trace = 2.429159878556769 (1.65259e-08% change) linmin: converged after 3 iterations. iteration 640: trace = 2.429159878234658 (1.32602e-08% change) linmin: converged after 11 iterations. iteration 641: trace = 2.42915987803354 (8.27933e-09% change) linmin: converged after 16 iterations. iteration 642: trace = 2.429159877639404 (1.62252e-08% change) linmin: converged after 12 iterations. iteration 643: trace = 2.429159877048272 (2.43348e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159876730426 (1.30846e-08% change) large trace change predicted (2.97486e-08%) linmin: converged after 4 iterations. iteration 645: trace = 2.429159876007781 (2.97488e-08% change) linmin: converged after 27 iterations. iteration 646: trace = 2.42915987547254 (2.2034e-08% change) linmin: converged after 6 iterations. iteration 647: trace = 2.429159875129366 (1.41273e-08% change) linmin: converged after 9 iterations. iteration 648: trace = 2.429159874455769 (2.77296e-08% change) linmin: converged after 5 iterations. iteration 649: trace = 2.42915987404839 (1.67704e-08% change) linmin: converged after 2 iterations. iteration 650: trace = 2.429159873754049 (1.2117e-08% change) large trace change predicted (2.64427e-08%) linmin: converged after 2 iterations. iteration 651: trace = 2.429159873111707 (2.6443e-08% change) linmin: converged after 12 iterations. iteration 652: trace = 2.429159872945354 (6.84816e-09% change) large trace change predicted (1.63505e-08%) linmin: converged after 4 iterations. iteration 653: trace = 2.429159872548171 (1.63506e-08% change) linmin: converged after 2 iterations. iteration 654: trace = 2.429159872291909 (1.05494e-08% change) linmin: converged after 14 iterations. iteration 655: trace = 2.429159872142755 (6.14015e-09% change) linmin: converged after 4 iterations. iteration 656: trace = 2.429159872109711 (1.3603e-09% change) large trace change predicted (7.79195e-09%) linmin: converged after 4 iterations. iteration 657: trace = 2.429159871920432 (7.79196e-09% change) linmin: converged after 10 iterations. iteration 658: trace = 2.429159871785886 (5.53879e-09% change) linmin: converged after 4 iterations. iteration 659: trace = 2.429159871654988 (5.38859e-09% change) large trace change predicted (1.08662e-08%) linmin: converged after 7 iterations. iteration 660: trace = 2.429159871391035 (1.08661e-08% change) linmin: converged after 14 iterations. iteration 661: trace = 2.429159871232291 (6.5349e-09% change) large trace change predicted (1.76444e-08%) linmin: converged after 4 iterations. iteration 662: trace = 2.429159870803683 (1.76443e-08% change) linmin: converged after 4 iterations. iteration 663: trace = 2.4291598704218 (1.57208e-08% change) linmin: converged after 8 iterations. iteration 664: trace = 2.429159870020711 (1.65114e-08% change) linmin: converged after 23 iterations. iteration 665: trace = 2.429159869830023 (7.84993e-09% change) large trace change predicted (2.02638e-08%) linmin: converged after 10 iterations. iteration 666: trace = 2.429159869337793 (2.02634e-08% change) linmin: converged after 4 iterations. iteration 667: trace = 2.429159869182738 (6.38306e-09% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159868933933 (1.02424e-08% change) linmin: converged after 11 iterations. iteration 669: trace = 2.429159868515784 (1.72138e-08% change) linmin: converged after 7 iterations. iteration 670: trace = 2.429159868347849 (6.91326e-09% change) large trace change predicted (1.93213e-08%) linmin: converged after 7 iterations. iteration 671: trace = 2.429159867878512 (1.9321e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.429159867572521 (1.25966e-08% change) linmin: converged after 6 iterations. iteration 673: trace = 2.429159867343999 (9.40745e-09% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159867301667 (1.74264e-09% change) large trace change predicted (7.32213e-09%) linmin: converged after 6 iterations. iteration 675: trace = 2.429159867123798 (7.32224e-09% change) linmin: converged after 11 iterations. iteration 676: trace = 2.429159867035079 (3.65226e-09% change) linmin: converged after 8 iterations. iteration 677: trace = 2.429159866976784 (2.39979e-09% change) large trace change predicted (7.8274e-09%) linmin: converged after 2 iterations. iteration 678: trace = 2.429159866786645 (7.82736e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159866748065 (1.58823e-09% change) large trace change predicted (7.75396e-09%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159866559707 (7.75405e-09% change) linmin: converged after 4 iterations. iteration 681: trace = 2.429159866448763 (4.56716e-09% change) linmin: converged after 8 iterations. iteration 682: trace = 2.429159866344309 (4.29998e-09% change) large trace change predicted (9.80644e-09%) linmin: converged after 24 iterations. iteration 683: trace = 2.429159866106096 (9.80639e-09% change) linmin: converged after 4 iterations. iteration 684: trace = 2.429159865737589 (1.51702e-08% change) linmin: converged after 11 iterations. iteration 685: trace = 2.429159865589282 (6.10529e-09% change) large trace change predicted (1.8134e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865148775 (1.81341e-08% change) linmin: converged after 9 iterations. iteration 687: trace = 2.42915986461645 (2.1914e-08% change) linmin: converged after 16 iterations. iteration 688: trace = 2.42915986451461 (4.19241e-09% change) large trace change predicted (1.29238e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.429159864200666 (1.29239e-08% change) linmin: converged after 6 iterations. iteration 690: trace = 2.429159864046436 (6.34914e-09% change) linmin: converged after 7 iterations. iteration 691: trace = 2.429159863975077 (2.93758e-09% change) large trace change predicted (1.13727e-08%) linmin: converged after 19 iterations. iteration 692: trace = 2.429159863698817 (1.13727e-08% change) linmin: converged after 14 iterations. iteration 693: trace = 2.429159863467031 (9.54182e-09% change) linmin: converged after 17 iterations. iteration 694: trace = 2.42915986339394 (3.00889e-09% change) large trace change predicted (9.0694e-09%) linmin: converged after 6 iterations. iteration 695: trace = 2.42915986317363 (9.06941e-09% change) linmin: converged after 7 iterations. iteration 696: trace = 2.429159863067169 (4.38261e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.429159863000426 (2.74758e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159862869274 (5.39907e-09% change) linmin: converged after 15 iterations. iteration 699: trace = 2.429159862841849 (1.129e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159862817324 (1.0096e-09% change) large trace change predicted (4.41441e-09%) linmin: converged after 4 iterations. iteration 701: trace = 2.429159862710093 (4.41433e-09% change) linmin: converged after 7 iterations. iteration 702: trace = 2.429159862671657 (1.58229e-09% change) large trace change predicted (3.42792e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159862588381 (3.42817e-09% change) large trace change predicted (7.0267e-09%) linmin: converged after 5 iterations. iteration 704: trace = 2.429159862417694 (7.02659e-09% change) linmin: converged after 31 iterations. iteration 705: trace = 2.429159862299705 (4.8572e-09% change) linmin: converged after 21 iterations. iteration 706: trace = 2.429159862217822 (3.37083e-09% change) large trace change predicted (9.61264e-09%) linmin: converged after 7 iterations. iteration 707: trace = 2.429159861984319 (9.6125e-09% change) linmin: converged after 5 iterations. iteration 708: trace = 2.429159861910836 (3.02504e-09% change) large trace change predicted (6.39403e-09%) linmin: converged after 5 iterations. iteration 709: trace = 2.429159861755516 (6.39399e-09% change) linmin: converged after 32 iterations. iteration 710: trace = 2.429159861568509 (7.6984e-09% change) linmin: converged after 5 iterations. iteration 711: trace = 2.429159861446432 (5.0255e-09% change) linmin: converged after 5 iterations. iteration 712: trace = 2.4291598613165 (5.34883e-09% change) large trace change predicted (1.40112e-08%) linmin: converged after 4 iterations. iteration 713: trace = 2.429159860976155 (1.40108e-08% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159860905781 (2.89705e-09% change) large trace change predicted (1.26274e-08%) linmin: converged after 6 iterations. iteration 715: trace = 2.429159860599047 (1.26271e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.42915986043266 (6.84958e-09% change) linmin: converged after 9 iterations. iteration 717: trace = 2.429159860391763 (1.68357e-09% change) large trace change predicted (4.29243e-09%) linmin: converged after 17 iterations. iteration 718: trace = 2.429159860287493 (4.29246e-09% change) linmin: converged after 8 iterations. iteration 719: trace = 2.42915986019017 (4.00645e-09% change) linmin: converged after 13 iterations. iteration 720: trace = 2.429159860169502 (8.50807e-10% change) large trace change predicted (2.70274e-09%) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860103848 (2.70275e-09% change) linmin: converged after 15 iterations. iteration 722: trace = 2.429159860054798 (2.01922e-09% change) linmin: converged after 7 iterations. iteration 723: trace = 2.429159860031161 (9.73056e-10% change) large trace change predicted (3.96993e-09%) linmin: converged after 6 iterations. iteration 724: trace = 2.429159859934724 (3.96996e-09% change) linmin: converged after 15 iterations. iteration 725: trace = 2.429159859900426 (1.41192e-09% change) linmin: converged after 16 iterations. iteration 726: trace = 2.429159859833863 (2.74017e-09% change) linmin: converged after 4 iterations. iteration 727: trace = 2.429159859717016 (4.81018e-09% change) linmin: converged after 5 iterations. iteration 728: trace = 2.429159859612486 (4.30312e-09% change) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859518859 (3.85433e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859344885 (7.16187e-09% change) linmin: converged after 33 iterations. iteration 731: trace = 2.429159859160336 (7.59725e-09% change) linmin: converged after 14 iterations. iteration 732: trace = 2.429159859108275 (2.14317e-09% change) large trace change predicted (5.2769e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.42915985898009 (5.27695e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159858883916 (3.95912e-09% change) linmin: converged after 19 iterations. iteration 735: trace = 2.429159858817774 (2.72286e-09% change) linmin: converged after 25 iterations. iteration 736: trace = 2.429159858694342 (5.08124e-09% change) linmin: converged after 8 iterations. iteration 737: trace = 2.429159858540137 (6.3481e-09% change) linmin: converged after 19 iterations. iteration 738: trace = 2.429159858509353 (1.26726e-09% change) large trace change predicted (3.66781e-09%) linmin: converged after 19 iterations. iteration 739: trace = 2.429159858420257 (3.66775e-09% change) linmin: converged after 18 iterations. iteration 740: trace = 2.429159858389306 (1.27417e-09% change) linmin: converged after 15 iterations. iteration 741: trace = 2.429159858356002 (1.37099e-09% change) linmin: converged after 5 iterations. iteration 742: trace = 2.42915985830757 (1.99377e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858285608 (9.04098e-10% change) linmin: converged after 16 iterations. iteration 744: trace = 2.429159858267683 (7.37918e-10% change) large trace change predicted (2.52462e-09%) linmin: converged after 5 iterations. iteration 745: trace = 2.429159858206351 (2.52483e-09% change) linmin: converged after 7 iterations. iteration 746: trace = 2.42915985819415 (5.02269e-10% change) large trace change predicted (4.06531e-09%) linmin: converged after 16 iterations. iteration 747: trace = 2.429159858095398 (4.06526e-09% change) linmin: converged after 4 iterations. iteration 748: trace = 2.429159858022407 (3.0048e-09% change) large trace change predicted (6.3672e-09%) linmin: converged after 9 iterations. iteration 749: trace = 2.429159857867736 (6.36724e-09% change) linmin: converged after 16 iterations. iteration 750: trace = 2.429159857827281 (1.6654e-09% change) large trace change predicted (6.23167e-09%) linmin: converged after 6 iterations. iteration 751: trace = 2.429159857675906 (6.23157e-09% change) linmin: converged after 6 iterations. iteration 752: trace = 2.429159857563191 (4.64011e-09% change) linmin: converged after 6 iterations. iteration 753: trace = 2.429159857502253 (2.50856e-09% change) large trace change predicted (5.60543e-09%) linmin: converged after 24 iterations. iteration 754: trace = 2.429159857366087 (5.6055e-09% change) linmin: converged after 6 iterations. iteration 755: trace = 2.429159857333167 (1.35518e-09% change) large trace change predicted (3.08164e-09%) linmin: converged after 2 iterations. iteration 756: trace = 2.429159857258312 (3.08155e-09% change) linmin: converged after 7 iterations. iteration 757: trace = 2.429159857196233 (2.55557e-09% change) linmin: converged after 18 iterations. iteration 758: trace = 2.429159857139626 (2.3303e-09% change) linmin: converged after 22 iterations. iteration 759: trace = 2.429159857098365 (1.6986e-09% change) linmin: converged after 16 iterations. iteration 760: trace = 2.429159857034882 (2.61335e-09% change) linmin: converged after 4 iterations. iteration 761: trace = 2.429159857016957 (7.37918e-10% change) linmin: converged after 4 iterations. iteration 762: trace = 2.429159856987269 (1.22216e-09% change) linmin: converged after 17 iterations. iteration 763: trace = 2.429159856932958 (2.23578e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985691513 (7.33896e-10% change) large trace change predicted (3.37889e-09%) linmin: converged after 6 iterations. iteration 765: trace = 2.429159856833055 (3.37875e-09% change) linmin: converged after 12 iterations. iteration 766: trace = 2.429159856776765 (2.31725e-09% change) linmin: converged after 7 iterations. iteration 767: trace = 2.429159856742263 (1.42033e-09% change) large trace change predicted (6.3265e-09%) linmin: converged after 2 iterations. iteration 768: trace = 2.429159856588583 (6.32649e-09% change) linmin: converged after 5 iterations. iteration 769: trace = 2.429159856521711 (2.75286e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 770: trace = 2.429159856465041 (2.33293e-09% change) linmin: converged after 5 iterations. iteration 771: trace = 2.429159856358117 (4.40166e-09% change) linmin: converged after 28 iterations. iteration 772: trace = 2.429159856321537 (1.50587e-09% change) linmin: converged after 29 iterations. iteration 773: trace = 2.429159856298917 (9.31173e-10% change) large trace change predicted (3.32488e-09%) linmin: converged after 14 iterations. iteration 774: trace = 2.42915985621815 (3.32493e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856197543 (8.48284e-10% change) large trace change predicted (2.18775e-09%) linmin: converged after 3 iterations. iteration 776: trace = 2.429159856144396 (2.18789e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.429159856113923 (1.25446e-09% change) linmin: converged after 4 iterations. iteration 778: trace = 2.429159856105955 (3.28008e-10% change) large trace change predicted (1.34596e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856073258 (1.34604e-09% change) linmin: converged after 9 iterations. iteration 780: trace = 2.429159856046637 (1.09591e-09% change) linmin: converged after 3 iterations. iteration 781: trace = 2.429159856034334 (5.06455e-10% change) large trace change predicted (1.81928e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.429159855990141 (1.81926e-09% change) linmin: converged after 19 iterations. iteration 783: trace = 2.429159855942319 (1.96869e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159855917947 (1.00328e-09% change) large trace change predicted (2.94489e-09%) linmin: converged after 5 iterations. iteration 785: trace = 2.429159855846413 (2.94484e-09% change) linmin: converged after 17 iterations. iteration 786: trace = 2.429159855807143 (1.61659e-09% change) linmin: converged after 18 iterations. iteration 787: trace = 2.429159855781426 (1.05871e-09% change) large trace change predicted (4.05376e-09%) linmin: converged after 4 iterations. iteration 788: trace = 2.429159855682951 (4.05385e-09% change) linmin: converged after 18 iterations. iteration 789: trace = 2.429159855659141 (9.80186e-10% change) large trace change predicted (2.23559e-09%) linmin: converged after 7 iterations. iteration 790: trace = 2.429159855604836 (2.23555e-09% change) linmin: converged after 17 iterations. iteration 791: trace = 2.429159855555326 (2.03816e-09% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855544709 (4.3704e-10% change) large trace change predicted (1.50107e-09%) linmin: converged after 28 iterations. iteration 793: trace = 2.429159855508243 (1.50118e-09% change) linmin: converged after 17 iterations. iteration 794: trace = 2.429159855487035 (8.73056e-10% change) linmin: converged after 9 iterations. iteration 795: trace = 2.429159855460267 (1.10194e-09% change) linmin: converged after 10 iterations. iteration 796: trace = 2.429159855457197 (1.26381e-10% change) large trace change predicted (8.69335e-10%) linmin: converged after 23 iterations. iteration 797: trace = 2.429159855436085 (8.69125e-10% change) linmin: converged after 4 iterations. iteration 798: trace = 2.429159855425723 (4.26583e-10% change) linmin: converged after 11 iterations. iteration 799: trace = 2.429159855418599 (2.93255e-10% change) large trace change predicted (1.01055e-09%) linmin: converged after 9 iterations. iteration 800: trace = 2.429159855394055 (1.01037e-09% change) linmin: converged after 23 iterations. iteration 801: trace = 2.429159855354492 (1.62869e-09% change) linmin: converged after 4 iterations. iteration 802: trace = 2.429159855339087 (6.3417e-10% change) large trace change predicted (1.58762e-09%) linmin: converged after 27 iterations. iteration 803: trace = 2.429159855300523 (1.58756e-09% change) linmin: converged after 26 iterations. iteration 804: trace = 2.429159855239667 (2.5052e-09% change) linmin: converged after 19 iterations. iteration 805: trace = 2.429159855229303 (4.26674e-10% change) large trace change predicted (1.60593e-09%) linmin: converged after 7 iterations. iteration 806: trace = 2.429159855190296 (1.60578e-09% change) linmin: converged after 9 iterations. iteration 807: trace = 2.429159855164364 (1.06752e-09% change) linmin: converged after 4 iterations. iteration 808: trace = 2.4291598551539 (4.30769e-10% change) large trace change predicted (1.9215e-09%) linmin: converged after 30 iterations. iteration 809: trace = 2.429159855107222 (1.92156e-09% change) linmin: converged after 25 iterations. iteration 810: trace = 2.429159855072568 (1.42659e-09% change) linmin: converged after 19 iterations. iteration 811: trace = 2.429159855051487 (8.67827e-10% change) linmin: converged after 5 iterations. iteration 812: trace = 2.429159855019166 (1.33055e-09% change) linmin: converged after 4 iterations. iteration 813: trace = 2.42915985500638 (5.26345e-10% change) linmin: converged after 18 iterations. iteration 814: trace = 2.429159854993845 (5.16035e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159854979437 (5.93128e-10% change) linmin: converged after 3 iterations. iteration 816: trace = 2.42915985497046 (3.69526e-10% change) linmin: converged after 15 iterations. iteration 817: trace = 2.429159854962464 (3.29178e-10% change) large trace change predicted (6.97686e-10%) linmin: converged after 3 iterations. iteration 818: trace = 2.429159854945522 (6.97461e-10% change) linmin: converged after 18 iterations. iteration 819: trace = 2.429159854942891 (1.083e-10% change) large trace change predicted (6.75402e-10%) linmin: converged after 3 iterations. iteration 820: trace = 2.429159854926489 (6.75194e-10% change) linmin: converged after 12 iterations. iteration 821: trace = 2.429159854914258 (5.03512e-10% change) linmin: converged after 18 iterations. iteration 822: trace = 2.429159854909535 (1.94425e-10% change) large trace change predicted (1.18364e-09%) linmin: converged after 12 iterations. iteration 823: trace = 2.429159854880787 (1.18348e-09% change) linmin: converged after 12 iterations. iteration 824: trace = 2.429159854858846 (9.03221e-10% change) linmin: converged after 15 iterations. iteration 825: trace = 2.429159854831322 (1.13306e-09% change) linmin: converged after 6 iterations. iteration 826: trace = 2.429159854791128 (1.65465e-09% change) linmin: converged after 7 iterations. iteration 827: trace = 2.429159854748298 (1.76317e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854717928 (1.25024e-09% change) linmin: converged after 6 iterations. iteration 829: trace = 2.429159854700446 (7.19655e-10% change) linmin: converged after 21 iterations. iteration 830: trace = 2.429159854684589 (6.52781e-10% change) linmin: converged after 4 iterations. iteration 831: trace = 2.429159854656265 (1.166e-09% change) linmin: converged after 17 iterations. iteration 832: trace = 2.429159854650829 (2.23803e-10% change) large trace change predicted (1.01319e-09%) linmin: converged after 7 iterations. iteration 833: trace = 2.429159854626223 (1.01295e-09% change) linmin: converged after 4 iterations. iteration 834: trace = 2.42915985460857 (7.26675e-10% change) linmin: converged after 3 iterations. iteration 835: trace = 2.429159854601671 (2.84041e-10% change) linmin: converged after 14 iterations. iteration 836: trace = 2.429159854589374 (5.06217e-10% change) linmin: converged after 3 iterations. iteration 837: trace = 2.429159854584687 (1.92926e-10% change) linmin: converged after 2 iterations. iteration 838: trace = 2.429159854576523 (3.36107e-10% change) linmin: converged after 16 iterations. iteration 839: trace = 2.429159854568384 (3.35047e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.42915985456455 (1.57825e-10% change) linmin: converged after 4 iterations. iteration 841: trace = 2.429159854559047 (2.26546e-10% change) linmin: converged after 3 iterations. iteration 842: trace = 2.429159854550802 (3.39398e-10% change) linmin: converged after 19 iterations. iteration 843: trace = 2.429159854547918 (1.18721e-10% change) large trace change predicted (4.5065e-10%) linmin: converged after 3 iterations. iteration 844: trace = 2.429159854536973 (4.50605e-10% change) linmin: converged after 24 iterations. iteration 845: trace = 2.429159854522967 (5.76547e-10% change) linmin: converged after 6 iterations. iteration 846: trace = 2.429159854517335 (2.31865e-10% change) large trace change predicted (9.61058e-10%) linmin: converged after 12 iterations. iteration 847: trace = 2.429159854493989 (9.61064e-10% change) linmin: converged after 10 iterations. iteration 848: trace = 2.42915985448577 (3.38338e-10% change) linmin: converged after 6 iterations. iteration 849: trace = 2.429159854473306 (5.1311e-10% change) linmin: converged after 4 iterations. iteration 850: trace = 2.429159854457098 (6.67223e-10% change) linmin: converged after 4 iterations. iteration 851: trace = 2.429159854447013 (4.15175e-10% change) linmin: converged after 22 iterations. iteration 852: trace = 2.429159854430041 (6.98668e-10% change) linmin: converged after 4 iterations. iteration 853: trace = 2.429159854401489 (1.17538e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.429159854394316 (2.95321e-10% change) large trace change predicted (1.01136e-09%) linmin: converged after 4 iterations. iteration 855: trace = 2.429159854369746 (1.01145e-09% change) linmin: converged after 15 iterations. iteration 856: trace = 2.429159854356542 (5.43548e-10% change) linmin: converged after 11 iterations. iteration 857: trace = 2.429159854344461 (4.97351e-10% change) linmin: converged after 8 iterations. iteration 858: trace = 2.429159854327901 (6.81702e-10% change) linmin: converged after 6 iterations. iteration 859: trace = 2.429159854322308 (2.30257e-10% change) linmin: converged after 3 iterations. iteration 860: trace = 2.429159854318657 (1.50275e-10% change) linmin: converged after 9 iterations. iteration 861: trace = 2.429159854311619 (2.89745e-10% change) linmin: converged after 6 iterations. iteration 862: trace = 2.429159854304627 (2.87825e-10% change) linmin: converged after 18 iterations. iteration 863: trace = 2.429159854303058 (6.45889e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 6.6189680099487305 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380124304858 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422813957853151 (0.435162% change) linmin: converged after 3 iterations. iteration 3: trace = 2.410436460818315 (0.512181% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737472281081 (0.23671% change) linmin: converged after 3 iterations. iteration 5: trace = 2.402921431695999 (0.0755478% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560348970514 (0.0566589% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273601112772 (0.0119408% change) large trace change predicted (0.0255597%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660422396954 (0.0255388% change) linmin: converged after 5 iterations. iteration 9: trace = 2.400394211407274 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303524499693 (0.00377807% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130152425029 (0.00722318% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008392599004 (0.00507318% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912583051916 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.39966612549191 (0.01027% change) linmin: converged after 3 iterations. iteration 15: trace = 2.39955686513503 (0.00455325% change) linmin: converged after 4 iterations. iteration 16: trace = 2.39937188603231 (0.00770918% change) linmin: converged after 4 iterations. iteration 17: trace = 2.399289072781011 (0.00345151% change) large trace change predicted (0.00782297%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101348936375 (0.00782445% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879563092243 (0.00924497% change) linmin: converged after 5 iterations. iteration 20: trace = 2.398649870205137 (0.00957547% change) large trace change predicted (0.0239454%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075268259338 (0.0239581% change) linmin: converged after 5 iterations. iteration 22: trace = 2.397887110182702 (0.00784652% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522294775239 (0.0152152% change) linmin: converged after 3 iterations. iteration 24: trace = 2.397281812088585 (0.010031% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981261499935 (0.0125379% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715626520207 (0.0110827% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618613907926 (0.00404781% change) large trace change predicted (0.0090078%) linmin: converged after 3 iterations. iteration 28: trace = 2.396402847978432 (0.00900334% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349175741548 (0.00223973% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256438116035 (0.00387003% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207645812547 (0.00203621% change) linmin: converged after 3 iterations. iteration 32: trace = 2.396167649113405 (0.00166918% change) large trace change predicted (0.00396802%) linmin: converged after 3 iterations. iteration 33: trace = 2.396072575763294 (0.0039678% change) linmin: converged after 14 iterations. iteration 34: trace = 2.396038774671857 (0.0014107% change) large trace change predicted (0.00652603%) linmin: converged after 12 iterations. iteration 35: trace = 2.395882463430421 (0.00652395% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832662700395 (0.00207862% change) large trace change predicted (0.00897499%) linmin: converged after 4 iterations. iteration 37: trace = 2.39561764812327 (0.00897493% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533905922083 (0.0034957% change) large trace change predicted (0.00705095%) linmin: converged after 4 iterations. iteration 39: trace = 2.39536495615372 (0.00705295% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255837403923 (0.00455552% change) linmin: converged after 5 iterations. iteration 41: trace = 2.395086666506282 (0.007063% change) linmin: converged after 7 iterations. iteration 42: trace = 2.395028266342813 (0.00243836% change) large trace change predicted (0.00633162%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876564762501 (0.00633422% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823822640608 (0.00220231% change) large trace change predicted (0.00784706%) linmin: converged after 4 iterations. iteration 45: trace = 2.39463588748624 (0.00784786% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551771201341 (0.00351276% change) large trace change predicted (0.00730796%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376648056848 (0.00731367% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320482220912 (0.00234577% change) large trace change predicted (0.00692652%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154609450363 (0.006928% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120835153223 (0.00141071% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082495560068 (0.00160142% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061913868271 (0.000859694% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035881744374 (0.00108737% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025507486848 (0.000433339% change) large trace change predicted (0.0010626%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000059486189 (0.00106299% change) linmin: converged after 5 iterations. iteration 56: trace = 2.393990088808856 (0.000416487% change) large trace change predicted (0.00146991%) linmin: converged after 3 iterations. iteration 57: trace = 2.393954902035357 (0.00146981% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941205589446 (0.000572128% change) large trace change predicted (0.00230758%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885961363607 (0.0023077% change) linmin: converged after 7 iterations. iteration 60: trace = 2.393857234377875 (0.00120002% change) large trace change predicted (0.0035278%) linmin: converged after 8 iterations. iteration 61: trace = 2.393772843716319 (0.00352536% change) linmin: converged after 4 iterations. iteration 62: trace = 2.393670914591524 (0.00425819% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605496480592 (0.002733% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393487963094304 (0.00491043% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448290672057 (0.00165753% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405497798788 (0.00178793% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393388072851804 (0.000728043% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359854223333 (0.00117903% change) linmin: converged after 4 iterations. iteration 69: trace = 2.393348483527521 (0.000475095% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343837015129 (0.000194143% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336363523268 (0.000312262% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333598170835 (0.000115544% change) linmin: converged after 3 iterations. iteration 73: trace = 2.393329150054836 (0.000185855% change) large trace change predicted (0.000414728%) linmin: converged after 4 iterations. iteration 74: trace = 2.39331922399139 (0.00041474% change) linmin: converged after 5 iterations. iteration 75: trace = 2.39331596569077 (0.000136142% change) large trace change predicted (0.000439215%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305453764279 (0.000439221% change) linmin: converged after 6 iterations. iteration 77: trace = 2.393296687312429 (0.000366291% change) linmin: converged after 4 iterations. iteration 78: trace = 2.39329144496132 (0.000219043% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393281124540538 (0.000431224% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393276815440569 (0.00018005% change) large trace change predicted (0.000404501%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267130640572 (0.000404668% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257359773369 (0.000408266% change) large trace change predicted (0.000854188%) linmin: converged after 4 iterations. iteration 83: trace = 2.3932369192801 (0.00085409% change) linmin: converged after 5 iterations. iteration 84: trace = 2.393229557837127 (0.000307594% change) large trace change predicted (0.00100509%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205497878049 (0.00100534% change) linmin: converged after 6 iterations. iteration 86: trace = 2.39319866014741 (0.000285715% change) large trace change predicted (0.000600605%) linmin: converged after 7 iterations. iteration 87: trace = 2.393184288761997 (0.000600511% change) linmin: converged after 5 iterations. iteration 88: trace = 2.393180115500064 (0.000174381% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172859481532 (0.000303196% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169669565756 (0.000133292% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393167343778703 (9.71844e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163700408488 (0.000152241% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162870254576 (3.46886e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 2.393161240938619 (6.80821e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159489493315 (7.31855e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 2.393158673817102 (3.40837e-05% change) large trace change predicted (8.56565e-05%) linmin: converged after 4 iterations. iteration 97: trace = 2.393156623982363 (8.5654e-05% change) linmin: converged after 5 iterations. iteration 98: trace = 2.393155251294039 (5.73589e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393154249135244 (4.18761e-05% change) large trace change predicted (0.000112009%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151568307313 (0.000112021% change) linmin: converged after 3 iterations. iteration 101: trace = 2.393149956347883 (6.73572e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393149015277626 (3.93235e-05% change) large trace change predicted (0.000107678%) linmin: converged after 5 iterations. iteration 103: trace = 2.393146438660454 (0.000107666% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393144081994803 (9.84757e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.39314308725204 (4.15664e-05% change) linmin: converged after 5 iterations. iteration 106: trace = 2.39314123328104 (7.74702e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138508263703 (0.000113868% change) linmin: converged after 3 iterations. iteration 108: trace = 2.393137240529313 (5.29737e-05% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393135806331574 (5.99296e-05% change) large trace change predicted (0.000129686%) linmin: converged after 3 iterations. iteration 110: trace = 2.393132703114377 (0.000129672% change) linmin: converged after 4 iterations. iteration 111: trace = 2.393130663063717 (8.52461e-05% change) linmin: converged after 2 iterations. iteration 112: trace = 2.393129702053291 (4.0157e-05% change) linmin: converged after 6 iterations. iteration 113: trace = 2.393127897284498 (7.54146e-05% change) linmin: converged after 2 iterations. iteration 114: trace = 2.393124696485005 (0.00013375% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122847811564 (7.72494e-05% change) linmin: converged after 2 iterations. iteration 116: trace = 2.393121444970771 (5.86197e-05% change) large trace change predicted (0.000135312%) linmin: converged after 4 iterations. iteration 117: trace = 2.393118206905052 (0.000135307% change) linmin: converged after 4 iterations. iteration 118: trace = 2.393114161332663 (0.00016905% change) linmin: converged after 6 iterations. iteration 119: trace = 2.393112369885688 (7.48584e-05% change) linmin: converged after 3 iterations. iteration 120: trace = 2.393110881531944 (6.21932e-05% change) large trace change predicted (0.000132911%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107700593636 (0.000132921% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104608047903 (0.000129227% change) linmin: converged after 5 iterations. iteration 123: trace = 2.393103244517627 (5.69775e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.393101749584581 (6.24684e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.39309881874507 (0.00012247% change) linmin: converged after 4 iterations. iteration 126: trace = 2.393096741782611 (8.67897e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 2.393095822111325 (3.84302e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 2.39309447002076 (5.64997e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393092157224396 (9.66446e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090972916624 (4.94886e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.393090426793293 (2.28208e-05% change) linmin: converged after 5 iterations. iteration 132: trace = 2.393089501967232 (3.86457e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.393088413822471 (4.54703e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 2.393088020957876 (1.64166e-05% change) linmin: converged after 4 iterations. iteration 135: trace = 2.393087780942407 (1.00295e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087334153206 (1.867e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.39308697399356 (1.505e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086796042441 (7.43605e-06% change) linmin: converged after 2 iterations. iteration 139: trace = 2.39308644358759 (1.4728e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085964419358 (2.0023e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.39308558578386 (1.58221e-05% change) large trace change predicted (3.70996e-05%) linmin: converged after 2 iterations. iteration 142: trace = 2.393084697946854 (3.71001e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083967712773 (3.05143e-05% change) large trace change predicted (9.09158e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081791888724 (9.09214e-05% change) linmin: converged after 4 iterations. iteration 145: trace = 2.393081047511928 (3.11054e-05% change) large trace change predicted (9.54116e-05%) linmin: converged after 2 iterations. iteration 146: trace = 2.393078764001862 (9.54214e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.393076685508733 (8.68544e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.393075978680122 (2.95364e-05% change) large trace change predicted (7.78024e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.393074116903839 (7.77985e-05% change) linmin: converged after 4 iterations. iteration 150: trace = 2.393073006262979 (4.64106e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.393072409379019 (2.49422e-05% change) large trace change predicted (6.27636e-05%) linmin: converged after 2 iterations. iteration 152: trace = 2.393070907251873 (6.27698e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.393070514675967 (1.64047e-05% change) large trace change predicted (4.71186e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393069387069712 (4.71197e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393069064685406 (1.34716e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 2.393068498408129 (2.36632e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067869936071 (2.62622e-05% change) linmin: converged after 5 iterations. iteration 158: trace = 2.393067640499179 (9.58756e-06% change) large trace change predicted (2.99995e-05%) linmin: converged after 4 iterations. iteration 159: trace = 2.393066922607111 (2.99988e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.393066760488533 (6.77451e-06% change) large trace change predicted (2.34839e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.393066198531526 (2.34827e-05% change) linmin: converged after 2 iterations. iteration 162: trace = 2.393065959542484 (9.98673e-06% change) large trace change predicted (3.04881e-05%) linmin: converged after 19 iterations. iteration 163: trace = 2.393065229947614 (3.04879e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.393064297196831 (3.89772e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063832751709 (1.9408e-05% change) large trace change predicted (9.00171e-05%) linmin: converged after 2 iterations. iteration 166: trace = 2.393061678473331 (9.00218e-05% change) linmin: converged after 5 iterations. iteration 167: trace = 2.393061021480222 (2.74541e-05% change) large trace change predicted (0.000104522%) linmin: converged after 2 iterations. iteration 168: trace = 2.393058520143947 (0.000104525% change) linmin: converged after 24 iterations. iteration 169: trace = 2.393057709799858 (3.38623e-05% change) large trace change predicted (7.10287e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393056009967242 (7.10319e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.393055120382709 (3.71736e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.39305443009403 (2.88455e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.393053481007506 (3.96601e-05% change) linmin: converged after 4 iterations. iteration 174: trace = 2.393053249749623 (9.66372e-06% change) large trace change predicted (3.40476e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.393052435010141 (3.4046e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.393052257800338 (7.40518e-06% change) large trace change predicted (2.80986e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.393051585401067 (2.8098e-05% change) linmin: converged after 2 iterations. iteration 178: trace = 2.393051363984962 (9.25246e-06% change) linmin: converged after 3 iterations. iteration 179: trace = 2.393051107935718 (1.06997e-05% change) linmin: converged after 2 iterations. iteration 180: trace = 2.393050898043621 (8.7709e-06% change) linmin: converged after 21 iterations. iteration 181: trace = 2.393050814413328 (3.49471e-06% change) linmin: converged after 3 iterations. iteration 182: trace = 2.39305067552257 (5.80392e-06% change) linmin: converged after 6 iterations. iteration 183: trace = 2.393050623327516 (2.18111e-06% change) large trace change predicted (9.06864e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.393050406299146 (9.06911e-06% change) linmin: converged after 5 iterations. iteration 185: trace = 2.393050207172795 (8.32103e-06% change) large trace change predicted (2.73197e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049553444872 (2.73178e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393049227524117 (1.36195e-05% change) large trace change predicted (3.88734e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.393048297279782 (3.88728e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.393047699063402 (2.49981e-05% change) large trace change predicted (5.02132e-05%) linmin: converged after 4 iterations. iteration 190: trace = 2.393046497495106 (5.02108e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045748889198 (3.12826e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044915937652 (3.48072e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044047539084 (3.62884e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.393043875749431 (7.17871e-06% change) large trace change predicted (1.50576e-05%) linmin: converged after 2 iterations. iteration 195: trace = 2.393043515402682 (1.50581e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.393043462927638 (2.19282e-06% change) large trace change predicted (4.43053e-06%) linmin: converged after 2 iterations. iteration 197: trace = 2.393043356901575 (4.4306e-06% change) linmin: converged after 5 iterations. iteration 198: trace = 2.393043311784036 (1.88536e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043276761168 (1.46353e-06% change) large trace change predicted (3.49352e-06%) linmin: converged after 2 iterations. iteration 200: trace = 2.393043193159225 (3.49354e-06% change) linmin: converged after 8 iterations. iteration 201: trace = 2.39304316328524 (1.24837e-06% change) large trace change predicted (4.2649e-06%) linmin: converged after 20 iterations. iteration 202: trace = 2.39304306122494 (4.26488e-06% change) linmin: converged after 2 iterations. iteration 203: trace = 2.39304295381029 (4.48862e-06% change) linmin: converged after 3 iterations. iteration 204: trace = 2.39304284163176 (4.68769e-06% change) linmin: converged after 2 iterations. iteration 205: trace = 2.393042696903165 (6.04789e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042617994168 (3.29743e-06% change) linmin: converged after 2 iterations. iteration 207: trace = 2.393042511897021 (4.43357e-06% change) linmin: converged after 2 iterations. iteration 208: trace = 2.393042426723516 (3.55921e-06% change) linmin: converged after 11 iterations. iteration 209: trace = 2.39304230116735 (5.24672e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.393042226468239 (3.12151e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.393042168183205 (2.4356e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042100191334 (2.84123e-06% change) linmin: converged after 10 iterations. iteration 213: trace = 2.393042061999979 (1.59593e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393041992212131 (2.91628e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.393041942118815 (2.09329e-06% change) linmin: converged after 26 iterations. iteration 216: trace = 2.393041906870438 (1.47295e-06% change) linmin: converged after 6 iterations. iteration 217: trace = 2.393041867868708 (1.6298e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.393041859358093 (3.5564e-07% change) large trace change predicted (8.75587e-07%) linmin: converged after 2 iterations. iteration 219: trace = 2.393041838404728 (8.75595e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041820457918 (7.49958e-07% change) linmin: converged after 17 iterations. iteration 221: trace = 2.39304181176659 (3.63192e-07% change) large trace change predicted (9.76316e-07%) linmin: converged after 2 iterations. iteration 222: trace = 2.393041788402952 (9.76316e-07% change) linmin: converged after 4 iterations. iteration 223: trace = 2.393041774878442 (5.6516e-07% change) large trace change predicted (2.14019e-06%) linmin: converged after 21 iterations. iteration 224: trace = 2.393041723663142 (2.14018e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041671887843 (2.16358e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041603467304 (2.85915e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.393041515230374 (3.68723e-06% change) linmin: converged after 2 iterations. iteration 228: trace = 2.393041482455889 (1.36957e-06% change) large trace change predicted (2.98102e-06%) linmin: converged after 2 iterations. iteration 229: trace = 2.393041411117911 (2.98106e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.393041361388025 (2.0781e-06% change) linmin: converged after 14 iterations. iteration 231: trace = 2.393041330586436 (1.28713e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393041295243412 (1.47691e-06% change) linmin: converged after 8 iterations. iteration 233: trace = 2.393041278864061 (6.84458e-07% change) linmin: converged after 2 iterations. iteration 234: trace = 2.393041257500504 (8.92737e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041246889093 (4.43428e-07% change) linmin: converged after 3 iterations. iteration 236: trace = 2.3930412310829 (6.60507e-07% change) linmin: converged after 2 iterations. iteration 237: trace = 2.393041215897756 (6.34554e-07% change) linmin: converged after 6 iterations. iteration 238: trace = 2.393041208005772 (3.29789e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 2.393041193308563 (6.14164e-07% change) linmin: converged after 3 iterations. iteration 240: trace = 2.393041188389303 (2.05565e-07% change) large trace change predicted (6.52311e-07%) linmin: converged after 3 iterations. iteration 241: trace = 2.393041172779269 (6.52309e-07% change) linmin: converged after 22 iterations. iteration 242: trace = 2.393041160100434 (5.29821e-07% change) linmin: converged after 3 iterations. iteration 243: trace = 2.39304114899997 (4.63864e-07% change) large trace change predicted (1.29682e-06%) linmin: converged after 2 iterations. iteration 244: trace = 2.393041117966356 (1.29683e-06% change) linmin: converged after 10 iterations. iteration 245: trace = 2.393041107350222 (4.43625e-07% change) large trace change predicted (2.50813e-06%) linmin: converged after 2 iterations. iteration 246: trace = 2.393041047329311 (2.50814e-06% change) linmin: converged after 23 iterations. iteration 247: trace = 2.393041020536951 (1.11959e-06% change) large trace change predicted (4.42269e-06%) linmin: converged after 3 iterations. iteration 248: trace = 2.393040914700689 (4.42267e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.393040855022179 (2.49384e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040748463542 (4.45286e-06% change) linmin: converged after 16 iterations. iteration 251: trace = 2.393040710358679 (1.59232e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.393040643295781 (2.80241e-06% change) linmin: converged after 2 iterations. iteration 253: trace = 2.39304061423221 (1.2145e-06% change) linmin: converged after 2 iterations. iteration 254: trace = 2.393040598418901 (6.60804e-07% change) linmin: converged after 2 iterations. iteration 255: trace = 2.393040577851683 (8.5946e-07% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040572705137 (2.15063e-07% change) large trace change predicted (4.77152e-07%) linmin: converged after 3 iterations. iteration 257: trace = 2.393040561286761 (4.77149e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040557290889 (1.66979e-07% change) large trace change predicted (3.67111e-07%) linmin: converged after 4 iterations. iteration 259: trace = 2.393040548505703 (3.67114e-07% change) linmin: converged after 9 iterations. iteration 260: trace = 2.393040544262423 (1.77318e-07% change) large trace change predicted (3.91366e-07%) linmin: converged after 3 iterations. iteration 261: trace = 2.393040534896974 (3.91362e-07% change) linmin: converged after 2 iterations. iteration 262: trace = 2.393040521294636 (5.68412e-07% change) linmin: converged after 4 iterations. iteration 263: trace = 2.393040516174779 (2.13948e-07% change) large trace change predicted (7.08643e-07%) linmin: converged after 2 iterations. iteration 264: trace = 2.393040499216496 (7.0865e-07% change) linmin: converged after 4 iterations. iteration 265: trace = 2.393040491737621 (3.12526e-07% change) large trace change predicted (7.22952e-07%) linmin: converged after 27 iterations. iteration 266: trace = 2.393040474437362 (7.22941e-07% change) linmin: converged after 3 iterations. iteration 267: trace = 2.393040462744822 (4.88606e-07% change) linmin: converged after 2 iterations. iteration 268: trace = 2.393040445604542 (7.16255e-07% change) linmin: converged after 4 iterations. iteration 269: trace = 2.393040421199894 (1.01982e-06% change) linmin: converged after 10 iterations. iteration 270: trace = 2.393040409601803 (4.84659e-07% change) large trace change predicted (1.38722e-06%) linmin: converged after 4 iterations. iteration 271: trace = 2.39304037640564 (1.3872e-06% change) linmin: converged after 21 iterations. iteration 272: trace = 2.393040364852663 (4.82774e-07% change) large trace change predicted (1.5673e-06%) linmin: converged after 2 iterations. iteration 273: trace = 2.393040327346475 (1.5673e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040310364444 (7.09642e-07% change) large trace change predicted (1.47613e-06%) linmin: converged after 8 iterations. iteration 275: trace = 2.393040275040153 (1.47613e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.393040241114048 (1.4177e-06% change) linmin: converged after 5 iterations. iteration 277: trace = 2.393040200368841 (1.70265e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.393040164587187 (1.49524e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.393040143637449 (8.75445e-07% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.393040123615926 (8.36656e-07% change) linmin: converged after 26 iterations. iteration 281: trace = 2.393040097254723 (1.10158e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.393040080609036 (6.95587e-07% change) linmin: converged after 3 iterations. iteration 283: trace = 2.393040070023619 (4.42342e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.39304005365244 (6.84116e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393040049252831 (1.8385e-07% change) large trace change predicted (4.41918e-07%) linmin: converged after 3 iterations. iteration 286: trace = 2.393040038677494 (4.41921e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393040025509667 (5.50255e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.393040019654107 (2.44691e-07% change) large trace change predicted (5.17209e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393040007277034 (5.17211e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039997140364 (4.2359e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039989962083 (2.99965e-07% change) large trace change predicted (9.5808e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039967034778 (9.58083e-07% change) linmin: converged after 19 iterations. iteration 293: trace = 2.393039962769715 (1.78228e-07% change) large trace change predicted (5.5828e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.393039949409854 (5.5828e-07% change) linmin: converged after 2 iterations. iteration 295: trace = 2.393039940301859 (3.80604e-07% change) linmin: converged after 9 iterations. iteration 296: trace = 2.393039934340293 (2.49121e-07% change) large trace change predicted (7.05859e-07%) linmin: converged after 2 iterations. iteration 297: trace = 2.393039917448811 (7.05859e-07% change) linmin: converged after 12 iterations. iteration 298: trace = 2.393039910573973 (2.87285e-07% change) large trace change predicted (8.63755e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039889903911 (8.63758e-07% change) linmin: converged after 16 iterations. iteration 300: trace = 2.393039883607988 (2.63093e-07% change) linmin: converged after 4 iterations. iteration 301: trace = 2.393039872341665 (4.70795e-07% change) linmin: converged after 3 iterations. iteration 302: trace = 2.393039868547251 (1.5856e-07% change) linmin: converged after 2 iterations. iteration 303: trace = 2.393039864622915 (1.6399e-07% change) linmin: converged after 2 iterations. iteration 304: trace = 2.393039861818064 (1.17209e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.393039859681585 (8.92789e-08% change) linmin: converged after 3 iterations. iteration 306: trace = 2.393039858141666 (6.43499e-08% change) large trace change predicted (1.59118e-07%) linmin: converged after 2 iterations. iteration 307: trace = 2.393039854333894 (1.59119e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039852312407 (8.44736e-08% change) large trace change predicted (2.45614e-07%) linmin: converged after 3 iterations. iteration 309: trace = 2.393039846434784 (2.45613e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.393039842958436 (1.45269e-07% change) large trace change predicted (4.00408e-07%) linmin: converged after 26 iterations. iteration 311: trace = 2.39303983337652 (4.00408e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.393039827049448 (2.64395e-07% change) large trace change predicted (6.2286e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.39303981214422 (6.22857e-07% change) linmin: converged after 2 iterations. iteration 314: trace = 2.393039803193084 (3.74049e-07% change) large trace change predicted (8.47055e-07%) linmin: converged after 2 iterations. iteration 315: trace = 2.393039782922678 (8.47057e-07% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039775919828 (2.92634e-07% change) large trace change predicted (6.03112e-07%) linmin: converged after 3 iterations. iteration 317: trace = 2.393039761487149 (6.03111e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.393039757974968 (1.46766e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.393039751324605 (2.77904e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.393039746925592 (1.83825e-07% change) linmin: converged after 6 iterations. iteration 321: trace = 2.393039741642429 (2.20772e-07% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039739594184 (8.55918e-08% change) linmin: converged after 6 iterations. iteration 323: trace = 2.393039736297653 (1.37755e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.393039734616863 (7.02366e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039732482706 (8.91818e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039730474012 (8.3939e-08% change) linmin: converged after 28 iterations. iteration 327: trace = 2.393039729541427 (3.89707e-08% change) large trace change predicted (1.25479e-07%) linmin: converged after 2 iterations. iteration 328: trace = 2.393039726538658 (1.25479e-07% change) linmin: converged after 5 iterations. iteration 329: trace = 2.393039725259905 (5.34363e-08% change) large trace change predicted (1.08967e-07%) linmin: converged after 3 iterations. iteration 330: trace = 2.393039722652271 (1.08967e-07% change) linmin: converged after 4 iterations. iteration 331: trace = 2.393039720055134 (1.08529e-07% change) linmin: converged after 4 iterations. iteration 332: trace = 2.39303971821311 (7.69742e-08% change) large trace change predicted (1.65289e-07%) linmin: converged after 4 iterations. iteration 333: trace = 2.393039714257687 (1.65289e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039711455557 (1.17095e-07% change) large trace change predicted (4.35667e-07%) linmin: converged after 3 iterations. iteration 335: trace = 2.393039701029889 (4.35666e-07% change) linmin: converged after 6 iterations. iteration 336: trace = 2.39303969414832 (2.87566e-07% change) large trace change predicted (6.18633e-07%) linmin: converged after 3 iterations. iteration 337: trace = 2.393039679344427 (6.18623e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039665738685 (5.68555e-07% change) linmin: converged after 2 iterations. iteration 339: trace = 2.393039658024705 (3.22351e-07% change) linmin: converged after 14 iterations. iteration 340: trace = 2.393039648022045 (4.1799e-07% change) linmin: converged after 3 iterations. iteration 341: trace = 2.393039645279689 (1.14597e-07% change) linmin: converged after 2 iterations. iteration 342: trace = 2.393039639860686 (2.26449e-07% change) linmin: converged after 2 iterations. iteration 343: trace = 2.393039638614395 (5.20798e-08% change) large trace change predicted (1.33225e-07%) linmin: converged after 31 iterations. iteration 344: trace = 2.393039635426273 (1.33225e-07% change) linmin: converged after 2 iterations. iteration 345: trace = 2.393039634396342 (4.30386e-08% change) large trace change predicted (2.76744e-07%) linmin: converged after 2 iterations. iteration 346: trace = 2.393039627773743 (2.76744e-07% change) linmin: converged after 2 iterations. iteration 347: trace = 2.393039623939238 (1.60236e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039620653532 (1.37303e-07% change) linmin: converged after 6 iterations. iteration 349: trace = 2.393039619165641 (6.21758e-08% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.39303961742302 (7.28204e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.393039616584213 (3.50519e-08% change) large trace change predicted (1.07232e-07%) linmin: converged after 2 iterations. iteration 352: trace = 2.393039614018103 (1.07232e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.393039612067748 (8.15011e-08% change) linmin: converged after 8 iterations. iteration 354: trace = 2.393039610485067 (6.61369e-08% change) large trace change predicted (1.6085e-07%) linmin: converged after 2 iterations. iteration 355: trace = 2.393039606635865 (1.6085e-07% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039604999336 (6.8387e-08% change) large trace change predicted (2.15251e-07%) linmin: converged after 2 iterations. iteration 357: trace = 2.393039599848283 (2.15252e-07% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039595199832 (1.94249e-07% change) linmin: converged after 2 iterations. iteration 359: trace = 2.393039590728982 (1.86827e-07% change) large trace change predicted (3.76711e-07%) linmin: converged after 2 iterations. iteration 360: trace = 2.393039581714138 (3.76711e-07% change) linmin: converged after 3 iterations. iteration 361: trace = 2.393039579624308 (8.73295e-08% change) large trace change predicted (3.15035e-07%) linmin: converged after 3 iterations. iteration 362: trace = 2.393039572085427 (3.15034e-07% change) linmin: converged after 4 iterations. iteration 363: trace = 2.393039569195385 (1.20769e-07% change) linmin: converged after 24 iterations. iteration 364: trace = 2.393039567347576 (7.7216e-08% change) linmin: converged after 3 iterations. iteration 365: trace = 2.393039564256501 (1.29169e-07% change) linmin: converged after 3 iterations. iteration 366: trace = 2.393039562988934 (5.29689e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039560578459 (1.00729e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.393039558922604 (6.91947e-08% change) linmin: converged after 26 iterations. iteration 369: trace = 2.393039557927479 (4.15841e-08% change) linmin: converged after 3 iterations. iteration 370: trace = 2.393039556595693 (5.56525e-08% change) linmin: converged after 3 iterations. iteration 371: trace = 2.393039555890322 (2.94759e-08% change) linmin: converged after 3 iterations. iteration 372: trace = 2.393039554797251 (4.56771e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039554116998 (2.84263e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039553586225 (2.21799e-08% change) linmin: converged after 2 iterations. iteration 375: trace = 2.393039552816456 (3.2167e-08% change) linmin: converged after 14 iterations. iteration 376: trace = 2.393039552509962 (1.28077e-08% change) large trace change predicted (3.80158e-08%) linmin: converged after 20 iterations. iteration 377: trace = 2.39303955160023 (3.80157e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.393039550102957 (6.25678e-08% change) linmin: converged after 2 iterations. iteration 379: trace = 2.393039547896684 (9.21954e-08% change) large trace change predicted (2.08605e-07%) linmin: converged after 13 iterations. iteration 380: trace = 2.393039542904686 (2.08605e-07% change) linmin: converged after 13 iterations. iteration 381: trace = 2.393039540914833 (8.31517e-08% change) large trace change predicted (2.68473e-07%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039534490165 (2.68473e-07% change) linmin: converged after 3 iterations. iteration 383: trace = 2.393039531743482 (1.14778e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.393039529022216 (1.13716e-07% change) linmin: converged after 2 iterations. iteration 385: trace = 2.3930395266464 (9.92803e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039525621313 (4.28362e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.39303952381167 (7.56211e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039522544793 (5.29401e-08% change) linmin: converged after 30 iterations. iteration 389: trace = 2.393039521254976 (5.38987e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039520146193 (4.63337e-08% change) linmin: converged after 3 iterations. iteration 391: trace = 2.393039519641123 (2.11058e-08% change) linmin: converged after 2 iterations. iteration 392: trace = 2.39303951876411 (3.66485e-08% change) linmin: converged after 4 iterations. iteration 393: trace = 2.393039518111734 (2.72614e-08% change) linmin: converged after 3 iterations. iteration 394: trace = 2.393039516866131 (5.20511e-08% change) linmin: converged after 2 iterations. iteration 395: trace = 2.393039515556683 (5.47191e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.393039514609391 (3.95853e-08% change) linmin: converged after 3 iterations. iteration 397: trace = 2.39303951301477 (6.66358e-08% change) linmin: converged after 20 iterations. iteration 398: trace = 2.393039512204096 (3.38763e-08% change) large trace change predicted (7.80343e-08%) linmin: converged after 2 iterations. iteration 399: trace = 2.393039510336703 (7.80344e-08% change) linmin: converged after 26 iterations. iteration 400: trace = 2.393039507857176 (1.03614e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.393039504890569 (1.23968e-07% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039501464116 (1.43184e-07% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039499809577 (6.91397e-08% change) linmin: converged after 2 iterations. iteration 404: trace = 2.393039497448843 (9.865e-08% change) linmin: converged after 3 iterations. iteration 405: trace = 2.393039496945668 (2.10266e-08% change) large trace change predicted (4.54251e-08%) linmin: converged after 2 iterations. iteration 406: trace = 2.393039495858626 (4.54252e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039495176422 (2.85078e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.393039494649704 (2.20104e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.393039493868053 (3.26635e-08% change) linmin: converged after 3 iterations. iteration 410: trace = 2.393039493522389 (1.44446e-08% change) large trace change predicted (6.70969e-08%) linmin: converged after 2 iterations. iteration 411: trace = 2.393039491916734 (6.70969e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.393039491319515 (2.49565e-08% change) large trace change predicted (6.36703e-08%) linmin: converged after 4 iterations. iteration 413: trace = 2.393039489795858 (6.36704e-08% change) linmin: converged after 6 iterations. iteration 414: trace = 2.393039487678044 (8.84989e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039484497585 (1.32905e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039482872291 (6.79176e-08% change) linmin: converged after 3 iterations. iteration 417: trace = 2.393039480048833 (1.17986e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.393039477503596 (1.0636e-07% change) linmin: converged after 16 iterations. iteration 419: trace = 2.393039475639136 (7.79118e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039474206179 (5.98802e-08% change) linmin: converged after 4 iterations. iteration 421: trace = 2.393039473025051 (4.93568e-08% change) large trace change predicted (1.06788e-07%) linmin: converged after 4 iterations. iteration 422: trace = 2.393039470469564 (1.06788e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.393039469730116 (3.08999e-08% change) large trace change predicted (1.1525e-07%) linmin: converged after 4 iterations. iteration 424: trace = 2.393039466972132 (1.1525e-07% change) linmin: converged after 33 iterations. iteration 425: trace = 2.393039466365175 (2.53634e-08% change) large trace change predicted (5.87761e-08%) linmin: converged after 20 iterations. iteration 426: trace = 2.393039464958636 (5.87763e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039464510041 (1.87458e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.393039463783371 (3.0366e-08% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039463425579 (1.49514e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039463222805 (8.47348e-09% change) large trace change predicted (1.98327e-08%) linmin: converged after 4 iterations. iteration 431: trace = 2.393039462748201 (1.98327e-08% change) linmin: converged after 27 iterations. iteration 432: trace = 2.393039462643557 (4.37282e-09% change) large trace change predicted (2.68203e-08%) linmin: converged after 2 iterations. iteration 433: trace = 2.393039462001738 (2.68202e-08% change) linmin: converged after 11 iterations. iteration 434: trace = 2.393039461780953 (9.22616e-09% change) large trace change predicted (2.79408e-08%) linmin: converged after 3 iterations. iteration 435: trace = 2.393039461112321 (2.79407e-08% change) linmin: converged after 3 iterations. iteration 436: trace = 2.393039460215512 (3.74757e-08% change) linmin: converged after 2 iterations. iteration 437: trace = 2.393039459745538 (1.96392e-08% change) large trace change predicted (7.14002e-08%) linmin: converged after 25 iterations. iteration 438: trace = 2.393039458036904 (7.14002e-08% change) linmin: converged after 22 iterations. iteration 439: trace = 2.393039457666539 (1.54768e-08% change) large trace change predicted (4.77735e-08%) linmin: converged after 2 iterations. iteration 440: trace = 2.393039456523302 (4.77734e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.393039456339768 (7.66948e-09% change) large trace change predicted (2.03303e-08%) linmin: converged after 3 iterations. iteration 442: trace = 2.393039455853257 (2.03302e-08% change) linmin: converged after 3 iterations. iteration 443: trace = 2.393039455603808 (1.04239e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303945522596 (1.57895e-08% change) linmin: converged after 2 iterations. iteration 445: trace = 2.393039454896127 (1.3783e-08% change) linmin: converged after 16 iterations. iteration 446: trace = 2.393039454711662 (7.70837e-09% change) linmin: converged after 5 iterations. iteration 447: trace = 2.393039454394383 (1.32584e-08% change) linmin: converged after 3 iterations. iteration 448: trace = 2.393039454238335 (6.52091e-09% change) linmin: converged after 4 iterations. iteration 449: trace = 2.393039453999304 (9.98861e-09% change) linmin: converged after 23 iterations. iteration 450: trace = 2.393039453869241 (5.43504e-09% change) large trace change predicted (1.63584e-08%) linmin: converged after 2 iterations. iteration 451: trace = 2.393039453477778 (1.63584e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039453348103 (5.41884e-09% change) large trace change predicted (1.64474e-08%) linmin: converged after 2 iterations. iteration 453: trace = 2.393039452954508 (1.64475e-08% change) linmin: converged after 3 iterations. iteration 454: trace = 2.393039452819819 (5.62837e-09% change) large trace change predicted (2.24653e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.39303945228222 (2.24651e-08% change) linmin: converged after 19 iterations. iteration 456: trace = 2.39303945199613 (1.19551e-08% change) large trace change predicted (2.58022e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.393039451378675 (2.58021e-08% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039450707573 (2.80439e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.393039450162363 (2.27831e-08% change) large trace change predicted (4.81083e-08%) linmin: converged after 3 iterations. iteration 460: trace = 2.393039449011113 (4.81083e-08% change) linmin: converged after 4 iterations. iteration 461: trace = 2.393039448761103 (1.04474e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039448275103 (2.03089e-08% change) linmin: converged after 2 iterations. iteration 463: trace = 2.39303944809994 (7.31969e-09% change) linmin: converged after 2 iterations. iteration 464: trace = 2.393039448016191 (3.49967e-09% change) linmin: converged after 3 iterations. iteration 465: trace = 2.393039447902463 (4.75244e-09% change) linmin: converged after 3 iterations. iteration 466: trace = 2.393039447842428 (2.50876e-09% change) linmin: converged after 2 iterations. iteration 467: trace = 2.393039447760849 (3.409e-09% change) linmin: converged after 2 iterations. iteration 468: trace = 2.393039447613777 (6.14585e-09% change) linmin: converged after 4 iterations. iteration 469: trace = 2.39303944754306 (2.95508e-09% change) large trace change predicted (8.63194e-09%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039447336494 (8.63195e-09% change) linmin: converged after 13 iterations. iteration 471: trace = 2.393039447185928 (6.29186e-09% change) linmin: converged after 3 iterations. iteration 472: trace = 2.393039447053844 (5.51951e-09% change) large trace change predicted (1.36633e-08%) linmin: converged after 3 iterations. iteration 473: trace = 2.393039446726879 (1.36632e-08% change) linmin: converged after 17 iterations. iteration 474: trace = 2.393039446615982 (4.63413e-09% change) large trace change predicted (1.42315e-08%) linmin: converged after 2 iterations. iteration 475: trace = 2.393039446275415 (1.42316e-08% change) linmin: converged after 8 iterations. iteration 476: trace = 2.393039446089102 (7.78561e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039445784855 (1.27138e-08% change) linmin: converged after 16 iterations. iteration 478: trace = 2.39303944540156 (1.60171e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.393039445156301 (1.02488e-08% change) large trace change predicted (2.74501e-08%) linmin: converged after 2 iterations. iteration 480: trace = 2.39303944449941 (2.74501e-08% change) linmin: converged after 3 iterations. iteration 481: trace = 2.393039444279885 (9.17349e-09% change) large trace change predicted (3.18263e-08%) linmin: converged after 3 iterations. iteration 482: trace = 2.39303944351827 (3.18262e-08% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039443333255 (7.7314e-09% change) linmin: converged after 2 iterations. iteration 484: trace = 2.393039443004228 (1.37493e-08% change) linmin: converged after 3 iterations. iteration 485: trace = 2.39303944267546 (1.37385e-08% change) linmin: converged after 7 iterations. iteration 486: trace = 2.393039442608175 (2.81171e-09% change) large trace change predicted (8.9904e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039442393032 (8.99037e-09% change) linmin: converged after 4 iterations. iteration 488: trace = 2.393039442342964 (2.09225e-09% change) large trace change predicted (4.34127e-09%) linmin: converged after 3 iterations. iteration 489: trace = 2.393039442239075 (4.34126e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.393039442184964 (2.2612e-09% change) linmin: converged after 6 iterations. iteration 491: trace = 2.393039442161027 (1.00029e-09% change) large trace change predicted (5.6857e-09%) linmin: converged after 2 iterations. iteration 492: trace = 2.393039442024966 (5.6857e-09% change) linmin: converged after 9 iterations. iteration 493: trace = 2.393039441872982 (6.35109e-09% change) linmin: converged after 16 iterations. iteration 494: trace = 2.393039441701082 (7.18331e-09% change) large trace change predicted (1.56833e-08%) linmin: converged after 3 iterations. iteration 495: trace = 2.393039441325779 (1.56831e-08% change) linmin: converged after 4 iterations. iteration 496: trace = 2.393039441211788 (4.76344e-09% change) large trace change predicted (1.48522e-08%) linmin: converged after 2 iterations. iteration 497: trace = 2.39303944085637 (1.48522e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.393039440598281 (1.0785e-08% change) linmin: converged after 2 iterations. iteration 499: trace = 2.393039440345882 (1.05472e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.393039439935951 (1.71301e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.393039439851639 (3.5232e-09% change) large trace change predicted (1.40842e-08%) linmin: converged after 2 iterations. iteration 502: trace = 2.393039439514599 (1.40842e-08% change) linmin: converged after 24 iterations. iteration 503: trace = 2.393039439403548 (4.64057e-09% change) linmin: converged after 4 iterations. iteration 504: trace = 2.393039439285229 (4.94428e-09% change) linmin: converged after 15 iterations. iteration 505: trace = 2.39303943914652 (5.79639e-09% change) linmin: converged after 3 iterations. iteration 506: trace = 2.393039439086246 (2.5187e-09% change) linmin: converged after 26 iterations. iteration 507: trace = 2.393039438988198 (4.09721e-09% change) linmin: converged after 21 iterations. iteration 508: trace = 2.393039438878307 (4.59212e-09% change) linmin: converged after 16 iterations. iteration 509: trace = 2.393039438841224 (1.54961e-09% change) large trace change predicted (3.22965e-09%) linmin: converged after 5 iterations. iteration 510: trace = 2.393039438763937 (3.22966e-09% change) linmin: converged after 16 iterations. iteration 511: trace = 2.393039438733785 (1.26e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.39303943870912 (1.03069e-09% change) linmin: converged after 13 iterations. iteration 513: trace = 2.39303943866326 (1.9164e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039438644809 (7.71029e-10% change) large trace change predicted (5.05109e-09%) linmin: converged after 5 iterations. iteration 515: trace = 2.393039438523934 (5.05108e-09% change) linmin: converged after 12 iterations. iteration 516: trace = 2.393039438469422 (2.27797e-09% change) large trace change predicted (7.15725e-09%) linmin: converged after 2 iterations. iteration 517: trace = 2.393039438298146 (7.15723e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.393039438014125 (1.18686e-08% change) linmin: converged after 4 iterations. iteration 519: trace = 2.393039437872779 (5.90657e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.393039437655179 (9.09303e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.393039437520089 (5.64515e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.393039437297263 (9.31141e-09% change) linmin: converged after 3 iterations. iteration 523: trace = 2.393039437156936 (5.86396e-09% change) linmin: converged after 24 iterations. iteration 524: trace = 2.393039437085292 (2.99385e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.39303943695845 (5.30046e-09% change) linmin: converged after 15 iterations. iteration 526: trace = 2.393039436914609 (1.83202e-09% change) linmin: converged after 4 iterations. iteration 527: trace = 2.393039436843865 (2.95622e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.39303943673263 (4.64831e-09% change) linmin: converged after 3 iterations. iteration 529: trace = 2.393039436690799 (1.74801e-09% change) linmin: converged after 8 iterations. iteration 530: trace = 2.393039436620647 (2.9315e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039436598385 (9.30289e-10% change) large trace change predicted (2.96243e-09%) linmin: converged after 3 iterations. iteration 532: trace = 2.393039436527491 (2.96249e-09% change) linmin: converged after 3 iterations. iteration 533: trace = 2.393039436461807 (2.74481e-09% change) linmin: converged after 4 iterations. iteration 534: trace = 2.393039436424172 (1.5727e-09% change) large trace change predicted (6.00559e-09%) linmin: converged after 4 iterations. iteration 535: trace = 2.393039436280454 (6.00566e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.39303943618887 (3.82708e-09% change) linmin: converged after 3 iterations. iteration 537: trace = 2.393039436036807 (6.35442e-09% change) linmin: converged after 2 iterations. iteration 538: trace = 2.393039435794245 (1.01361e-08% change) linmin: converged after 3 iterations. iteration 539: trace = 2.393039435700735 (3.90757e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039435531811 (7.05899e-09% change) linmin: converged after 2 iterations. iteration 541: trace = 2.393039435466259 (2.73924e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.39303943534544 (5.04878e-09% change) linmin: converged after 4 iterations. iteration 543: trace = 2.393039435298291 (1.97027e-09% change) linmin: converged after 4 iterations. iteration 544: trace = 2.393039435255517 (1.78742e-09% change) linmin: converged after 8 iterations. iteration 545: trace = 2.39303943522729 (1.17955e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.393039435188424 (1.62412e-09% change) linmin: converged after 8 iterations. iteration 547: trace = 2.393039435167712 (8.65505e-10% change) linmin: converged after 9 iterations. iteration 548: trace = 2.39303943512799 (1.65992e-09% change) large trace change predicted (3.40801e-09%) linmin: converged after 4 iterations. iteration 549: trace = 2.393039435046433 (3.40809e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.393039435014659 (1.32774e-09% change) large trace change predicted (6.842e-09%) linmin: converged after 23 iterations. iteration 551: trace = 2.393039434850928 (6.842e-09% change) linmin: converged after 2 iterations. iteration 552: trace = 2.393039434782558 (2.85703e-09% change) large trace change predicted (8.70625e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.393039434574214 (8.70625e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039434517141 (2.38494e-09% change) large trace change predicted (5.79028e-09%) linmin: converged after 2 iterations. iteration 555: trace = 2.393039434378577 (5.7903e-09% change) linmin: converged after 21 iterations. iteration 556: trace = 2.393039434298211 (3.35832e-09% change) large trace change predicted (7.26483e-09%) linmin: converged after 4 iterations. iteration 557: trace = 2.393039434124362 (7.26478e-09% change) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433935333 (7.89913e-09% change) large trace change predicted (1.666e-08%) linmin: converged after 3 iterations. iteration 559: trace = 2.39303943353665 (1.66601e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 560: trace = 2.393039433352452 (7.69724e-09% change) linmin: converged after 3 iterations. iteration 561: trace = 2.393039433201853 (6.29321e-09% change) linmin: converged after 3 iterations. iteration 562: trace = 2.39303943305918 (5.96198e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433019592 (1.65429e-09% change) large trace change predicted (3.65671e-09%) linmin: converged after 2 iterations. iteration 564: trace = 2.393039432932085 (3.65674e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039432890817 (1.72448e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.393039432826563 (2.68503e-09% change) linmin: converged after 2 iterations. iteration 567: trace = 2.393039432795364 (1.30374e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.393039432748506 (1.95812e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.393039432732972 (6.49143e-10% change) linmin: converged after 4 iterations. iteration 570: trace = 2.393039432704891 (1.17345e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.393039432689627 (6.37841e-10% change) linmin: converged after 4 iterations. iteration 572: trace = 2.393039432677676 (4.99383e-10% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039432665824 (4.95264e-10% change) linmin: converged after 2 iterations. iteration 574: trace = 2.393039432659203 (2.76711e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.393039432647236 (5.00051e-10% change) linmin: converged after 4 iterations. iteration 576: trace = 2.393039432638745 (3.54839e-10% change) large trace change predicted (7.3409e-10%) linmin: converged after 7 iterations. iteration 577: trace = 2.39303943262118 (7.34006e-10% change) linmin: converged after 15 iterations. iteration 578: trace = 2.393039432603238 (7.49725e-10% change) linmin: converged after 17 iterations. iteration 579: trace = 2.393039432570474 (1.36914e-09% change) linmin: converged after 18 iterations. iteration 580: trace = 2.393039432553994 (6.8867e-10% change) large trace change predicted (2.12314e-09%) linmin: converged after 3 iterations. iteration 581: trace = 2.393039432503187 (2.12313e-09% change) linmin: converged after 13 iterations. iteration 582: trace = 2.393039432480832 (9.34186e-10% change) linmin: converged after 4 iterations. iteration 583: trace = 2.393039432452084 (1.2013e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.393039432424392 (1.15719e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.393039432407845 (6.91435e-10% change) linmin: converged after 2 iterations. iteration 586: trace = 2.393039432382961 (1.03985e-09% change) linmin: converged after 7 iterations. iteration 587: trace = 2.393039432366514 (6.87316e-10% change) linmin: converged after 3 iterations. iteration 588: trace = 2.393039432345494 (8.78384e-10% change) linmin: converged after 14 iterations. iteration 589: trace = 2.393039432339349 (2.56762e-10% change) large trace change predicted (5.89427e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.39303943232524 (5.89573e-10% change) linmin: converged after 9 iterations. iteration 591: trace = 2.393039432320826 (1.84462e-10% change) large trace change predicted (3.69118e-10%) linmin: converged after 6 iterations. iteration 592: trace = 2.393039432311989 (3.69276e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.393039432305279 (2.80423e-10% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039432295434 (4.11365e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.393039432281389 (5.86938e-10% change) linmin: converged after 6 iterations. iteration 596: trace = 2.393039432276467 (2.05692e-10% change) large trace change predicted (7.85524e-10%) linmin: converged after 3 iterations. iteration 597: trace = 2.39303943225767 (7.85485e-10% change) linmin: converged after 9 iterations. iteration 598: trace = 2.393039432252615 (2.11222e-10% change) large trace change predicted (8.39976e-10%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432232515 (8.39951e-10% change) linmin: converged after 6 iterations. iteration 600: trace = 2.393039432226268 (2.6103e-10% change) large trace change predicted (9.03088e-10%) linmin: converged after 2 iterations. iteration 601: trace = 2.39303943220466 (9.02936e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432189016 (6.53764e-10% change) linmin: converged after 2 iterations. iteration 603: trace = 2.393039432166445 (9.43168e-10% change) linmin: converged after 3 iterations. iteration 604: trace = 2.39303943213833 (1.17488e-09% change) linmin: converged after 2 iterations. iteration 605: trace = 2.393039432120859 (7.30091e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.393039432093853 (1.1285e-09% change) linmin: converged after 7 iterations. iteration 607: trace = 2.393039432086923 (2.8959e-10% change) linmin: converged after 2 iterations. iteration 608: trace = 2.393039432075805 (4.64607e-10% change) linmin: converged after 7 iterations. iteration 609: trace = 2.393039432071387 (1.84592e-10% change) linmin: converged after 5 iterations. iteration 610: trace = 2.393039432065358 (2.51974e-10% change) linmin: converged after 2 iterations. iteration 611: trace = 2.393039432062455 (1.21292e-10% change) linmin: converged after 3 iterations. iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 3.914459466934204 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887% Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355% Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% total elapsed time for run: 85.37639451026917 done /tmp/meepFBAM2J/test_hermitian_eps-0: 85.38s /tmp/meepFBAM2J/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.12424325942993164 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812154 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363299 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859758 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951349 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135564 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.2070884324455 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814846 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.19315658004023 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379606 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477864 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205618 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657787 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093604258 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848075 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.18797477956343 (0.00115651% change) linmin: converged after 5 iterations. iteration 17: trace = 2.187966030722322 (0.000399861% change) linmin: converged after 5 iterations. iteration 18: trace = 2.187961616111454 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.1879597773419 (8.40403e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 2.18795888606421 (4.07356e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 2.18795854913431 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.18795830248867 (1.12729e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 2.187958133390985 (7.72856e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 2.187958074545614 (2.68951e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 2.187958069787004 (2.17491e-07% change) linmin: converged after 7 iterations. iteration 26: trace = 2.187958069734503 (2.39955e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 2.187958069720223 (6.52649e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 2.187958069713313 (3.15821e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.187958069709288 (1.83972e-10% change) linmin: converged after 18 iterations. iteration 30: trace = 2.187958069706379 (1.32965e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 27.61581516265869 total elapsed time for run: 27.740251541137695 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepFBAM2J/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 0.8948468239076676 s /tmp/meepFBAM2J/test_hole_slab-0: 27.78s /tmp/meepFBAM2J/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0034444332122802734 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828975 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550779 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.482417469982581 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909691 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789116 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653448 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558336 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277241 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069842 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696012 (0.00676256% change) linmin: converged after 4 iterations. iteration 11: trace = 4.384928986166431 (0.00232187% change) linmin: converged after 4 iterations. iteration 12: trace = 4.384903198778337 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818508 (0.000128143% change) linmin: converged after 13 iterations. iteration 14: trace = 4.384896578810197 (2.28285e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296354982 (6.44155e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.384896163448671 (3.031e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 4.384896108996914 (1.2418e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.384896055181356 (1.22729e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.384895970966074 (1.92058e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.38489590726072 (1.45284e-06% change) large trace change predicted (4.57068e-06%) linmin: converged after 10 iterations. iteration 21: trace = 4.384895706840789 (4.57069e-06% change) large trace change predicted (5.41044e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338154686 (5.40192e-05% change) large trace change predicted (0.000283059%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228104788 (0.000276177% change) linmin: converged after 7 iterations. iteration 24: trace = 4.384874398261604 (0.000155759% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500609987 (4.32772e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.3848713955458 (2.52017e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.384870693954905 (1.60003e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.384870461981484 (5.29031e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388767834 (1.66969e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 4.384870368921946 (4.52599e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.384870362402347 (1.48684e-07% change) linmin: converged after 9 iterations. iteration 32: trace = 4.384870359727408 (6.10038e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219287 (1.1588e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145627 (1.67987e-09% change) linmin: converged after 11 iterations. iteration 35: trace = 4.384870359129828 (3.60305e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120794 (2.06039e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.384870359115494 (1.20865e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.1817033290863037 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.39872195949743 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.39311735253206 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343357581851 (0.0859439% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788287284224 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878624289434 (0.0663499% change) large trace change predicted (0.244096%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047515311024 (0.224508% change) linmin: converged after 7 iterations. iteration 7: trace = 4.368118510614789 (0.135642% change) linmin: converged after 6 iterations. iteration 8: trace = 4.366002631629466 (0.0484509% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742801755479 (0.0288596% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161252396401 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460651575 (0.00398233% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770767711 (0.000817831% change) linmin: converged after 4 iterations. iteration 13: trace = 4.36393858374061 (0.000302181% change) linmin: converged after 5 iterations. iteration 14: trace = 4.36393008190258 (0.00019482% change) linmin: converged after 5 iterations. iteration 15: trace = 4.363920378512217 (0.000222355% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621681136 (0.00022358% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924465893 (0.000153468% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915392915 (6.89537e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331099684 (1.33892e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186221043 (3.31993e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.363900088964535 (2.22866e-06% change) linmin: converged after 7 iterations. iteration 22: trace = 4.363900060699683 (6.47697e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.363900055304586 (1.2363e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 4.363900051912999 (7.77192e-08% change) linmin: converged after 5 iterations. iteration 25: trace = 4.363900047515076 (1.0078e-07% change) linmin: converged after 23 iterations. iteration 26: trace = 4.363900042904723 (1.05648e-07% change) linmin: converged after 11 iterations. iteration 27: trace = 4.363900040389199 (5.7644e-08% change) linmin: converged after 10 iterations. iteration 28: trace = 4.363900039270392 (2.56378e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 4.363900038955546 (7.2148e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873566 (1.87859e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.363900038847111 (6.0623e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835859 (2.5783e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.363900038830814 (1.15604e-10% change) linmin: converged after 8 iterations. iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.19469404220581055 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609713 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322943 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640949 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292328 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266941 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808996 (0.00022026% change) linmin: converged after 4 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 10 iterations. iteration 8: trace = 4.32599459465187 (1.62193e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.325994488077118 (2.46359e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.325994468151051 (4.60612e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562197 (1.29192e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.325994459723789 (6.56128e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374728 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749015 (1.4464e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 4.32599445760477 (3.33439e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.325994457594259 (2.42966e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.09661078453063965 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30600107092552 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932486 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.29851853832182 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198784 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.298101423772041 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.29808505991654 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323796 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492037 (2.25864e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.298080977563766 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767696 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493846 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439335 (1.26827e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.298080976434353 (1.15928e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.09319543838500977 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997794 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617623 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707247 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043693 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619916 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28608714465769 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 25 iterations. iteration 10: trace = 4.28608712234582 (5.5367e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.286087121648094 (1.62788e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.286087121456529 (4.46946e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.28608712142735 (6.80792e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422133 (1.21723e-10% change) linmin: converged after 9 iterations. iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.08619332313537598 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792949 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942273 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283944159629766 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 9 iterations. iteration 6: trace = 4.283887176226486 (8.70288e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283886858681759 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.28388682691592 (7.41519e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283886820456622 (2.37293e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322502 (3.13079e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305657 (3.93222e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.07489943504333496 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396197 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190657 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392986 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 4 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037957 (1.15171e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.287889500347113 (5.60441e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28788950002585 (7.49233e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903878 (2.84456e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875897 (6.52563e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.06940603256225586 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492723 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537599 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277392 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777742 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.29990483034585 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29990477686071 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.9308e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.29990477144707 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054311 (9.13415e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.299904770962038 (2.14593e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.299904770944448 (4.09088e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.299904770939913 (1.05468e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.0808553695678711 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090462 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755684 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607524 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 5 iterations. iteration 5: trace = 4.319880164551648 (7.59385e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.319879323285335 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560536 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729278 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421852 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813207 (1.40894e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663674 (3.4615e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.319879224626948 (8.50146e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.081024169921875 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370844 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089942 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085783 (0.00355484% change) linmin: converged after 5 iterations. iteration 4: trace = 4.347489679972002 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105884 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576345 (3.33648e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.347482711409496 (5.8233e-06% change) linmin: converged after 12 iterations. iteration 8: trace = 4.347482493192523 (5.01939e-06% change) linmin: converged after 18 iterations. iteration 9: trace = 4.347482344420544 (3.42203e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.347482298963946 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34748228971871 (2.12657e-07% change) linmin: converged after 31 iterations. iteration 12: trace = 4.347482287039397 (6.16291e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286360998 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300155 (1.3995e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.347482286295717 (1.02087e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.09209465980529785 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611532715 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036492409 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.38178878025707 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715853946 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092892972 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455722745 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816252429 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919174327 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330732579 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279463 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825428 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387274 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.38121616433571 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929224 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63268e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 4.381215668422753 (1.08827e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185727 (5.41004e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 4.381215667875738 (7.07542e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457714 (9.54128e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.381215660818165 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974618 (6.49031e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.381215657571822 (9.1937e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.381215657498217 (1.68002e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.381215657480995 (3.93082e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476102 (1.11681e-10% change) linmin: converged after 16 iterations. iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.1574242115020752 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078381 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960042 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521737 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673116 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437412 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405223 (0.000131838% change) linmin: converged after 26 iterations. iteration 7: trace = 4.32273763909674 (2.13593e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.322737373315226 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966315 (1.14161e-06% change) linmin: converged after 17 iterations. iteration 10: trace = 4.322737320305617 (8.46847e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841389 (1.07392e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.322737319507413 (7.72602e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388518 (2.75046e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.322737319377671 (2.50936e-10% change) linmin: converged after 14 iterations. iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.08658194541931152 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591897576 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684616559 (0.11875% change) linmin: converged after 5 iterations. iteration 3: trace = 4.301135561283133 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572761 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.30085681986073 (0.000742564% change) linmin: converged after 14 iterations. iteration 6: trace = 4.300852819316745 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232525 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938094 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117169 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505014 (3.74846e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.300851491410827 (2.18996e-09% change) linmin: converged after 9 iterations. iteration 12: trace = 4.300851491406211 (1.07324e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.07468485832214355 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.32434937401908 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387770052 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377062 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406396 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908553 (0.000701658% change) linmin: converged after 6 iterations. iteration 6: trace = 4.317114586098945 (8.04196e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 4.317113326114089 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372538 (8.54139e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.317112903543082 (1.24689e-06% change) linmin: converged after 20 iterations. iteration 10: trace = 4.317112897314943 (1.44266e-07% change) linmin: converged after 14 iterations. iteration 11: trace = 4.317112896825686 (1.1333e-08% change) linmin: converged after 7 iterations. iteration 12: trace = 4.317112896790956 (8.04462e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.07564258575439453 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521888273 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344799 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496616 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793687 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549699 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455404 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839154 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070666 (3.09223e-06% change) linmin: converged after 5 iterations. iteration 9: trace = 4.358297546325379 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.35829752236015 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194551 (1.18523e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.358297516480515 (1.63834e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.358297516296371 (4.22512e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225987 (1.61496e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.358297516215984 (2.29509e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.10771322250366211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819852951 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.39527873831851 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538976 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085719 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461172 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836656 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775307 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979723 (0.000106994% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385086288853218 (1.87938e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697313 (2.37355e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.385086139058153 (1.45758e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.385086138940974 (2.67222e-09% change) large trace change predicted (7.9911e-09%) linmin: converged after 5 iterations. iteration 15: trace = 4.385086138590554 (7.99118e-09% change) large trace change predicted (6.98869e-08%) linmin: converged after 6 iterations. iteration 16: trace = 4.385086135525945 (6.98871e-08% change) large trace change predicted (2.99537e-07%) linmin: converged after 7 iterations. iteration 17: trace = 4.385086122390883 (2.99539e-07% change) large trace change predicted (1.05347e-06%) linmin: converged after 12 iterations. iteration 18: trace = 4.385086076197731 (1.05341e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 19: trace = 4.385075363377362 (0.000244302% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074751503768 (1.39535e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.385074131791603 (1.41323e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.385073498120102 (1.44506e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.3850728391906 (1.50266e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.385072141566585 (1.59091e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 4.385071390004491 (1.71391e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.385070567002641 (1.87683e-05% change) linmin: converged after 10 iterations. iteration 27: trace = 4.385069652320134 (2.0859e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068623117292 (2.34706e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067455913275 (2.66177e-05% change) linmin: converged after 6 iterations. iteration 30: trace = 4.385066132564182 (3.01785e-05% change) linmin: converged after 7 iterations. iteration 31: trace = 4.385064652751265 (3.37467e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.385063050710816 (3.6534e-05% change) linmin: converged after 10 iterations. iteration 33: trace = 4.385061400745426 (3.7627e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.385059792765557 (3.66695e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.385058292699991 (3.42086e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 4.385056925719566 (3.11736e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055687169101 (2.82448e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054559495551 (2.57163e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.385053522968946 (2.36377e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052560197837 (2.19557e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051657324839 (2.05898e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050803883862 (1.94625e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.385049992245298 (1.85092e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049217008356 (1.76791e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.385048474457228 (1.69337e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 4.385047762107202 (1.6245e-05% change) linmin: converged after 9 iterations. iteration 47: trace = 4.385047078337947 (1.55932e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.385046422125289 (1.49648e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045792731911 (1.43532e-05% change) linmin: converged after 13 iterations. iteration 50: trace = 4.385045189703144 (1.37519e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.38504461255611 (1.31617e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.385044060816794 (1.25823e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.38504353399636 (1.2014e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.385043031508665 (1.14591e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 4.385042552650464 (1.09203e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.385042096642393 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041662654589 (9.897e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 4.385041249778738 (9.41555e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040857070793 (8.95563e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 4.385040483570849 (8.51759e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 4.385040128308277 (8.10169e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039790310772 (7.70797e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039468628151 (7.33591e-06% change) linmin: converged after 7 iterations. iteration 64: trace = 4.385039162327915 (6.98512e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038870510874 (6.65483e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 4.385038592311513 (6.34429e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038326900565 (6.05265e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 4.38503807348842 (5.77902e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037831326652 (5.52246e-06% change) resetting CG direction... large trace change predicted (0.0031332%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900329100619 (0.00313576% change) linmin: converged after 3 iterations. iteration 71: trace = 4.384884254601342 (0.000366588% change) linmin: converged after 3 iterations. iteration 72: trace = 4.384873438720082 (0.000246663% change) linmin: converged after 3 iterations. iteration 73: trace = 4.384870688145813 (6.27287e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 4.384870449333986 (5.44627e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415882931 (7.62874e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 4.384870401147243 (3.36058e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492857 (1.74564e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389495106 (9.11715e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 4.384870388322232 (2.67482e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 4.384870388216734 (2.40597e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 4.384870388189753 (6.15302e-10% change) large trace change predicted (3.52411e-09%) linmin: converged after 4 iterations. iteration 82: trace = 4.38487038803525 (3.52357e-09% change) large trace change predicted (3.74764e-08%) linmin: converged after 28 iterations. iteration 83: trace = 4.384870386391934 (3.7477e-08% change) large trace change predicted (1.51153e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379764137 (1.51151e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 4.384870373683719 (1.38668e-07% change) linmin: converged after 7 iterations. iteration 86: trace = 4.384870369532241 (9.46773e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.38487036365659 (1.33998e-07% change) linmin: converged after 8 iterations. iteration 88: trace = 4.384870360442977 (7.32887e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 4.384870359584565 (1.95767e-08% change) linmin: converged after 14 iterations. iteration 90: trace = 4.384870359189046 (9.02009e-09% change) linmin: converged after 9 iterations. iteration 91: trace = 4.384870359114164 (1.70774e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106877 (1.66176e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.40782785415649414 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774273 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087806 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092526 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418488 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.785657777185661 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014189 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233968 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354988) to band 2 (0.3351850759916969), 0.020381849463972628% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% total elapsed time for run: 1.9665985107421875 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002873659133911133 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 17.92607897538322 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119915343174 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109186977 (14.0209% change) linmin: converged after 5 iterations. iteration 4: trace = 6.58888652364287 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424246076 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866302 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823718502 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.474893456063001 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132514 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000407 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.47015757375367 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969771 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660893 (0.00751906% change) linmin: converged after 7 iterations. iteration 14: trace = 6.468841027070832 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577920377 (0.0026968% change) linmin: converged after 10 iterations. iteration 16: trace = 6.468592519446273 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.46856679543332 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940038 (0.000186803% change) linmin: converged after 6 iterations. iteration 19: trace = 6.468546490013834 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358513 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926657947 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161839825 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335214083 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 7 iterations. iteration 24: trace = 6.467419876616322 (0.0103043% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466887404305107 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640790414967 (0.00381356% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466547273459352 (0.00144615% change) linmin: converged after 4 iterations. iteration 28: trace = 6.466507039465316 (0.000622189% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489938107039 (0.000264461% change) linmin: converged after 4 iterations. iteration 30: trace = 6.466483473449076 (9.99717e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920991301 (7.04009e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475300003511 (5.59963e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466472640176281 (4.11326e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.466470979761616 (2.56773e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055019 (1.6465e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614943 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751725752 (6.61705e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.466468412461958 (5.24651e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466467929864256 (7.46308e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100427191 (1.28267e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255877623 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 8 iterations. iteration 42: trace = 6.46646122001997 (6.24121e-05% change) large trace change predicted (0.00015753%) linmin: converged after 6 iterations. iteration 43: trace = 6.466451030011505 (0.000157583% change) linmin: converged after 9 iterations. iteration 44: trace = 6.466433013331613 (0.000278618% change) linmin: converged after 11 iterations. iteration 45: trace = 6.466416782663948 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490528265 (0.000112769% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466406899774358 (4.00648e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.466406094478431 (1.24535e-05% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405844612755 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769907499 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747181907 (3.51441e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 6.46640573799684 (1.42043e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731539118 (9.98657e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405724920215 (1.02358e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 6.466405718048475 (1.06268e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327633 (7.3799e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709709058 (5.51662e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405707038169 (4.13041e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.466405704132005 (4.49425e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.466405699087506 (7.80109e-08% change) large trace change predicted (1.5603e-07%) linmin: converged after 2 iterations. iteration 61: trace = 6.466405688997896 (1.56031e-07% change) large trace change predicted (3.7443e-07%) linmin: converged after 15 iterations. iteration 62: trace = 6.466405664785508 (3.74433e-07% change) linmin: converged after 28 iterations. iteration 63: trace = 6.466405627489602 (5.76764e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.466405586875777 (6.28074e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.46640556506476 (3.37297e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.466405555907518 (1.41613e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405552605178 (5.10692e-08% change) linmin: converged after 2 iterations. iteration 68: trace = 6.466405551334731 (1.96469e-08% change) linmin: converged after 16 iterations. iteration 69: trace = 6.466405550799248 (8.281e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550642449 (2.42482e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503872 (2.14303e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.466405550445268 (9.06281e-10% change) linmin: converged after 3 iterations. iteration 73: trace = 6.466405550414719 (4.72425e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.46640555038379 (4.78303e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 6.466405550351928 (4.92725e-10% change) large trace change predicted (1.03812e-09%) linmin: converged after 3 iterations. iteration 76: trace = 6.466405550284806 (1.03802e-09% change) large trace change predicted (2.15834e-09%) linmin: converged after 5 iterations. iteration 77: trace = 6.466405550145241 (2.15831e-09% change) large trace change predicted (4.86711e-09%) linmin: converged after 3 iterations. iteration 78: trace = 6.466405549830503 (4.86729e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 6.466405549269239 (8.67969e-09% change) linmin: converged after 11 iterations. iteration 80: trace = 6.466405548567114 (1.0858e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547894586 (1.04003e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547386092 (7.86362e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.466405546958021 (6.61992e-09% change) linmin: converged after 8 iterations. iteration 84: trace = 6.466405546506333 (6.98514e-09% change) linmin: converged after 16 iterations. iteration 85: trace = 6.466405546057374 (6.94295e-09% change) linmin: converged after 2 iterations. iteration 86: trace = 6.46640554572432 (5.15053e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.466405545536675 (2.90184e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461352 (1.16483e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440622 (3.20595e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433945 (1.03248e-10% change) linmin: converged after 17 iterations. iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.40051770210266113 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067052996546 (0.950104% change) linmin: converged after 5 iterations. iteration 2: trace = 6.43476570269001 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.41564474813926 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.39465360439015 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220861344239 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272818545 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062794824 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086332797 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.37201104783465 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458537317 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011456711 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519883851 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913676103 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529108516 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436772975 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391429577 (0.000377597% change) linmin: converged after 6 iterations. iteration 17: trace = 6.367957304387381 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626657136 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610031953 (0.000173002% change) linmin: converged after 6 iterations. iteration 20: trace = 6.367922428080588 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388196858 (6.34412e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 6.36791563959841 (4.31632e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 6.367913674060577 (3.08663e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 6.367912248327197 (2.23893e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.367910983142318 (1.98681e-05% change) linmin: converged after 8 iterations. iteration 26: trace = 6.367910002775989 (1.53954e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 6.3679094833749 (8.15654e-06% change) linmin: converged after 12 iterations. iteration 28: trace = 6.367909240413649 (3.8154e-06% change) linmin: converged after 12 iterations. iteration 29: trace = 6.367909155901818 (1.32715e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 6.367909122690675 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103767053 (2.97172e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.367909090577662 (2.07123e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277775 (1.77451e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 6.367909068648772 (1.66915e-07% change) linmin: converged after 15 iterations. iteration 35: trace = 6.367909061036096 (1.19547e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 6.367909056621722 (6.93222e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 6.367909054297022 (3.65065e-08% change) linmin: converged after 20 iterations. iteration 38: trace = 6.367909052624121 (2.62708e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314649 (2.05636e-08% change) linmin: converged after 3 iterations. iteration 40: trace = 6.367909050370929 (1.48199e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 6.367909049791784 (9.09474e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 6.367909049418198 (5.86671e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 6.367909049257639 (2.52137e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 6.367909049201544 (8.80896e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.367909049182624 (2.97114e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 6.367909049171304 (1.77764e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.367909049158719 (1.97639e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 6.367909049144635 (2.21169e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 6.367909049133679 (1.72059e-10% change) linmin: converged after 5 iterations. iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.2799339294433594 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 6.3200032605905 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319692 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010985 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874486335 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640793 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505048 (0.00135245% change) linmin: converged after 6 iterations. iteration 7: trace = 6.307433279783366 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930066 (0.000207541% change) linmin: converged after 4 iterations. iteration 9: trace = 6.307414904204794 (8.37918e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.307412046921582 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158996 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531604 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969257 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233323 (3.91184e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 6.307408593328487 (2.04371e-06% change) linmin: converged after 28 iterations. iteration 16: trace = 6.307408549531712 (6.9437e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807263 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970346 (7.66863e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.307408528488404 (2.34953e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.307408528005171 (7.66136e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.30740852785379 (2.40005e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 6.307408527794085 (9.46587e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.30740852775652 (5.95563e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.30740852773683 (3.12173e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.307408527727549 (1.47138e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.14686822891235352 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463612982484 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394750923 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604043969 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267175199 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152580638 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510427349 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752496 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428303634 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604383709 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.281988929449003 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844711 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759971988 (7.12812e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.281973995724686 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607873 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094742 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844382 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295188 (8.20589e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.28197156610134 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.28197156230419 (6.04452e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 6.281971560806641 (2.38388e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352625 (7.22728e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.281971560186313 (2.64745e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120159 (1.05308e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 6.281971560091682 (4.5331e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.281971560080309 (1.81044e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.14773917198181152 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369297 (0.430756% change) linmin: converged after 5 iterations. iteration 2: trace = 6.2892066843556 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834829 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800656 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271310484 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617309 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882139578 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341747 (0.00230942% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282800167347959 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282747004996441 (0.000846161% change) linmin: converged after 20 iterations. iteration 12: trace = 6.282703557062474 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229335338 (0.000339468% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282675130393072 (0.000112992% change) linmin: converged after 4 iterations. iteration 15: trace = 6.282672608965461 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548717 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329277 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190036 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233792 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010518 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784775 (1.30927e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753027 (4.82557e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 6.282671766763948 (1.5743e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.282671766458806 (4.85688e-09% change) linmin: converged after 9 iterations. iteration 25: trace = 6.282671766336981 (1.93907e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 6.282671766260684 (1.21441e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.282671766201569 (9.40913e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.282671766155278 (7.36804e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 6.282671766133061 (3.53636e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.18009710311889648 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451288 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025499247 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507706 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212721223 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229676 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398333 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.29949534067714 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630943 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766081 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255148 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455876 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215354 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924448 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016279 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263541 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985894 (2.37874e-05% change) linmin: converged after 6 iterations. iteration 18: trace = 6.29440645900385 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379217 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788376 (2.55133e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 6.294405782629287 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446981 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369189 (2.39543e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.294405733484955 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045221 (2.29406e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 6.294405712361794 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.29440571017969 (3.46673e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 6.29440570899652 (1.87972e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.294405707877617 (1.77761e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.294405706286301 (2.52814e-08% change) linmin: converged after 20 iterations. iteration 31: trace = 6.294405704817242 (2.33391e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102966 (1.13478e-08% change) linmin: converged after 9 iterations. iteration 33: trace = 6.294405703768753 (5.30969e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 6.294405703545733 (3.54314e-09% change) linmin: converged after 7 iterations. iteration 35: trace = 6.294405703401987 (2.28372e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 6.294405703320324 (1.29739e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286798 (5.32633e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 6.294405703273476 (2.11645e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.25153422355651855 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176919602 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727760468 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.29761911485909 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147147 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595465 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687401 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150609 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841469 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.29646816300987 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.29646794117121 (3.52322e-06% change) linmin: converged after 10 iterations. iteration 11: trace = 6.296467865329763 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969857 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830014 (3.83387e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 6.296467783022486 (4.25755e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 6.296467750315617 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879384 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753017 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688737 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980607 (1.2242e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296467694261517 (9.08301e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403801 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402602 (1.5901e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296467690046349 (5.65799e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.29646768982429 (3.52672e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597053 (3.60896e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.296467689392037 (3.25605e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.296467689305392 (1.37608e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279556 (4.10329e-10% change) linmin: converged after 15 iterations. iteration 29: trace = 6.296467689270651 (1.41427e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.19646143913269043 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234781 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319124 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009928 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.30220020902879 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624336 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411512 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018786 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262022 (8.92239e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 6.301846911960352 (1.86501e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.301846388216972 (8.31095e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 6.301846085008105 (4.81143e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 6.30184588886787 (3.11243e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 6.301845757623044 (2.08264e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.30184569861957 (9.36289e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235487 (4.82146e-07% change) linmin: converged after 14 iterations. iteration 16: trace = 6.301845649790846 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932034 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.30184560184901 (4.35925e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.301845579579472 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110102 (1.97869e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.301845561609765 (8.72814e-08% change) linmin: converged after 26 iterations. iteration 22: trace = 6.301845559125026 (3.94288e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.301845557289972 (2.91193e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.301845555247236 (3.24149e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038564 (3.5048e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 6.301845551683946 (2.14956e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.301845551182741 (7.9533e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984634 (3.14364e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.301845550903847 (1.28196e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.301845550857776 (7.31067e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.30184555083353 (3.84751e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.30184555082548 (1.27747e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.2124006748199463 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115614864 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197751503 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572941805 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827669129 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208927556 (0.0029578% change) linmin: converged after 5 iterations. iteration 6: trace = 6.309229226566798 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973781213 (0.000416102% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30919440659967 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198229 (6.43094e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.309187375962605 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567454864 (2.86647e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.309184755086878 (1.2876e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.309184446575221 (4.88988e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.309184352025174 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579332 (8.15412e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 6.309184257672634 (6.80067e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 6.309184198715782 (9.34461e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.309184133927345 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.309184099681204 (5.42798e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.30918408410606 (2.46865e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 6.309184076911358 (1.14035e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438 (7.09023e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130057 (6.82805e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.309184063212676 (7.794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450126 (1.07186e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362691 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652987 (4.29486e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 6.309184047348862 (2.06703e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.309184046823375 (8.32893e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545846 (4.39881e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.309184046419702 (1.99936e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.309184046373005 (7.40141e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.309184046358347 (2.32336e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.22054290771484375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801917711 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470978049 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550837462 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553848058 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349123102 (0.00226642% change) linmin: converged after 5 iterations. iteration 6: trace = 6.318420288427251 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042071838 (0.000731932% change) linmin: converged after 5 iterations. iteration 8: trace = 6.318349508618049 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411522139 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606694 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476686 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523260427 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770551 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379766 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792305 (3.33296e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 6.318323450131578 (4.23626e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017672 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162412 (2.81491e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 6.318322903495034 (8.81047e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.318322888313275 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797128 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181355 (2.55728e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.318322881394603 (1.24519e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.318322880964139 (6.81294e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 6.318322880605 (5.68409e-09% change) linmin: converged after 15 iterations. iteration 26: trace = 6.318322880209585 (6.25823e-09% change) linmin: converged after 21 iterations. iteration 27: trace = 6.31832287959852 (9.6713e-09% change) linmin: converged after 14 iterations. iteration 28: trace = 6.318322878497074 (1.74326e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.318322877602431 (1.41595e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.31832287708382 (8.20805e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38021e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.318322876668267 (2.19674e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.318322876613936 (8.59892e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 6.318322876598196 (2.49121e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.6180503368377686 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568353543 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094181636 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309822502 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591274194 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210196264 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.33064396980161 (0.00188353% change) linmin: converged after 7 iterations. iteration 7: trace = 6.330526348136551 (0.00185799% change) linmin: converged after 13 iterations. iteration 8: trace = 6.330475545195476 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.330456130102515 (0.000306693% change) linmin: converged after 5 iterations. iteration 10: trace = 6.330448155863277 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917500964 (5.11554e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968357512 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826384102 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859955793 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902013757 (0.0001731% change) linmin: converged after 5 iterations. iteration 16: trace = 6.330408494649402 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091576583 (0.000243319% change) linmin: converged after 6 iterations. iteration 18: trace = 6.330384367755954 (0.000137809% change) linmin: converged after 6 iterations. iteration 19: trace = 6.330379302017224 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672644792 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.330359257233077 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260631059 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731579208 (0.00312042% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824562064017 (0.00436289% change) linmin: converged after 7 iterations. iteration 25: trace = 6.329581573906367 (0.00383886% change) linmin: converged after 6 iterations. iteration 26: trace = 6.329442199166004 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368645492959 (0.00116209% change) linmin: converged after 10 iterations. iteration 28: trace = 6.329332395863501 (0.000572723% change) linmin: converged after 4 iterations. iteration 29: trace = 6.329321991178512 (0.000164388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097988076 (4.57109e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.329318300206615 (1.26045e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.32931799410349 (4.83627e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317823129362 (2.7013e-06% change) linmin: converged after 6 iterations. iteration 34: trace = 6.329317711845055 (1.75824e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.329317634395559 (1.22366e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.329317560691636 (1.16448e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.32931747415502 (1.36723e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 6.329317376194909 (1.54772e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304171264 (1.13794e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.329317262603997 (6.56742e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.329317230522463 (5.06872e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195236122 (5.57506e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.329317162896908 (5.10943e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.329317144755773 (2.86621e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.329317134305412 (1.6511e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125696884 (1.3601e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115496575 (1.6116e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101155471 (2.26582e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.329317075190383 (4.10235e-07% change) large trace change predicted (8.61114e-07%) linmin: converged after 9 iterations. iteration 50: trace = 6.329317020686204 (8.61138e-07% change) large trace change predicted (2.13494e-06%) linmin: converged after 7 iterations. iteration 51: trace = 6.329316885549689 (2.13509e-06% change) large trace change predicted (4.29533e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613639072 (4.29605e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332925112 (4.43514e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.329316191102488 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143746306 (7.48204e-07% change) linmin: converged after 18 iterations. iteration 56: trace = 6.32931612694177 (2.65503e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120032678 (1.0916e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116868592 (4.9991e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.329316115420461 (2.28797e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114755848 (1.05006e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.329316114258587 (7.85647e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.32931611357861 (1.07433e-08% change) linmin: converged after 7 iterations. iteration 63: trace = 6.32931611250308 (1.69928e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378772 (1.77635e-08% change) linmin: converged after 17 iterations. iteration 65: trace = 6.329316110808317 (9.01291e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.32931611061173 (3.10597e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525245 (1.36641e-09% change) linmin: converged after 16 iterations. iteration 68: trace = 6.329316110484219 (6.48202e-10% change) linmin: converged after 7 iterations. iteration 69: trace = 6.329316110465934 (2.88893e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458442 (1.18366e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.32931611045135 (1.12052e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.3999006748199463 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535386882 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987163942 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715447410408 (0.0710428% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209751381263 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423963655603 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418547572471 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762758268691 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505247164775 (0.00404597% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314495047947 (0.00299717% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187767542588 (0.00199124% change) linmin: converged after 4 iterations. iteration 11: trace = 6.364105946449937 (0.00128566% change) large trace change predicted (0.00305019%) linmin: converged after 4 iterations. iteration 12: trace = 6.363911973027979 (0.00304798% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499392011474 (0.0379175% change) linmin: converged after 17 iterations. iteration 14: trace = 6.360271253669679 (0.0193077% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373214130635 (0.0141205% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557209865869 (0.0128323% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758831376815 (0.0125568% change) linmin: converged after 4 iterations. iteration 18: trace = 6.35695020028015 (0.0127196% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356111990994002 (0.0131866% change) linmin: converged after 5 iterations. iteration 20: trace = 6.355220830187315 (0.0140215% change) linmin: converged after 7 iterations. iteration 21: trace = 6.354246050292112 (0.0153394% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159590078924 (0.0170996% change) linmin: converged after 5 iterations. iteration 23: trace = 6.35196059587473 (0.0188742% change) linmin: converged after 7 iterations. iteration 24: trace = 6.350699107250833 (0.0198618% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349457731438005 (0.019549% change) linmin: converged after 6 iterations. iteration 26: trace = 6.348291251576054 (0.018373% change) linmin: converged after 5 iterations. iteration 27: trace = 6.347197527381277 (0.0172301% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140279328147 (0.0166583% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081032208443 (0.0166926% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343998846697296 (0.017057% change) linmin: converged after 9 iterations. iteration 31: trace = 6.342897532952846 (0.0173614% change) linmin: converged after 6 iterations. iteration 32: trace = 6.341800207534998 (0.0173016% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340733702023742 (0.0168185% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713171756136 (0.0160961% change) linmin: converged after 10 iterations. iteration 35: trace = 6.338736461829757 (0.0154074% change) linmin: converged after 6 iterations. iteration 36: trace = 6.33778783665264 (0.0149666% change) linmin: converged after 5 iterations. iteration 37: trace = 6.336845169256096 (0.0148749% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335886962176028 (0.0151223% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899165822387 (0.0155917% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333882730716306 (0.0160463% change) linmin: converged after 7 iterations. iteration 41: trace = 6.33286010313808 (0.0161467% change) linmin: converged after 7 iterations. iteration 42: trace = 6.331873203918613 (0.015585% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966235762773 (0.0143249% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330163751312972 (0.0126763% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329463856162633 (0.0110571% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847345078376 (0.00974081% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289355750378 (0.00881699% change) linmin: converged after 5 iterations. iteration 48: trace = 6.327766397496983 (0.00826416% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259336647544 (0.00801359% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326754564654965 (0.00797805% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326244564109935 (0.00806134% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325727895894234 (0.00816739% change) linmin: converged after 5 iterations. iteration 53: trace = 6.325208013920704 (0.00821887% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324690671181235 (0.0081794% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324180794620297 (0.00806201% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680328087471 (0.00791385% change) linmin: converged after 4 iterations. iteration 57: trace = 6.32318781492698 (0.0077887% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699274017141 (0.00772648% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209415642527 (0.00774791% change) linmin: converged after 5 iterations. iteration 60: trace = 6.321712489184559 (0.00786032% change) linmin: converged after 5 iterations. iteration 61: trace = 6.321202501922708 (0.00806756% change) linmin: converged after 6 iterations. iteration 62: trace = 6.320672900221528 (0.00837853% change) linmin: converged after 6 iterations. iteration 63: trace = 6.320116030645042 (0.00881068% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319522825865787 (0.00938642% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318883234645984 (0.0101214% change) linmin: converged after 5 iterations. iteration 66: trace = 6.318187959672148 (0.0110037% change) linmin: converged after 6 iterations. iteration 67: trace = 6.31743189423737 (0.0119672% change) linmin: converged after 9 iterations. iteration 68: trace = 6.316618757955095 (0.0128721% change) linmin: converged after 6 iterations. iteration 69: trace = 6.315764596548945 (0.0135234% change) resetting CG direction... large trace change predicted (0.188887%) linmin: converged after 4 iterations. iteration 70: trace = 6.30377483351079 (0.190019% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300359863163028 (0.0541881% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320135225627 (0.016504% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061113389838 (0.00411199% change) linmin: converged after 3 iterations. iteration 74: trace = 6.29894674000712 (0.00181574% change) linmin: converged after 4 iterations. iteration 75: trace = 6.298877873119761 (0.00109331% change) linmin: converged after 4 iterations. iteration 76: trace = 6.298793443318489 (0.0013404% change) linmin: converged after 5 iterations. iteration 77: trace = 6.298725836212253 (0.00107334% change) linmin: converged after 4 iterations. iteration 78: trace = 6.298682922239421 (0.000681314% change) linmin: converged after 3 iterations. iteration 79: trace = 6.298642200531368 (0.000646514% change) linmin: converged after 3 iterations. iteration 80: trace = 6.298616546133387 (0.000407301% change) linmin: converged after 3 iterations. iteration 81: trace = 6.298604022115915 (0.000198838% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598783826391 (8.31659e-05% change) linmin: converged after 6 iterations. iteration 83: trace = 6.298597353919131 (2.2702e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 6.298596364652583 (1.57061e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 6.298595759885517 (9.60162e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.298595315598257 (7.05375e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099396957 (3.43253e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.298595020017621 (1.26027e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974687637 (7.19684e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.298594929333673 (7.20065e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.298594895483319 (5.37427e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877344432 (2.87983e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868820416 (1.35332e-07% change) linmin: converged after 5 iterations. iteration 94: trace = 6.298594864524636 (6.82022e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 6.298594862453144 (3.28882e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905874 (8.68876e-09% change) linmin: converged after 19 iterations. iteration 97: trace = 6.298594861732207 (2.75724e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685732 (7.3786e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667191 (2.94363e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.298594861658075 (1.44735e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.5968389511108398 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987178494 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233361261 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394324921 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833051483 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916499 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170792 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992352109 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090529 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408679 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564533 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449735 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832897 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.28260865850598 (1.99482e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.282608607802819 (8.0704e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282608579576467 (4.49278e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246183 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481403 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131914 (5.33137e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.282608553958246 (1.86812e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.282608553518156 (7.0049e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 6.282608553300054 (3.47151e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 6.282608553189004 (1.76759e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 6.282608553137472 (8.2022e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 6.282608553118511 (3.01813e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.1631622314453125 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067843477 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191718284 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393602 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418353 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183249 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.29692785760085 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232909 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.296840480940103 (0.000309667% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296835118565327 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246105 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029665 (1.76155e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296831011555446 (6.91577e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 6.296830859588104 (2.41339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.29683081631859 (6.87163e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.29683079971514 (2.63679e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163728 (8.8162e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 6.296830790795292 (1.61387e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.296830790487549 (4.88727e-09% change) linmin: converged after 21 iterations. iteration 20: trace = 6.29683079038124 (1.68829e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 6.296830790332562 (7.73062e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 6.29683079030516 (4.35173e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293806 (1.80306e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.15746712684631348 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112054111 (0.562684% change) linmin: converged after 6 iterations. iteration 2: trace = 6.360316161579064 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854586 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685735 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306038 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160624 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703357 (0.000783992% change) linmin: converged after 5 iterations. iteration 8: trace = 6.356067894802454 (0.000383254% change) linmin: converged after 6 iterations. iteration 9: trace = 6.356057959422968 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445724 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803913 (3.17279e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.356050456386635 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.356049967376735 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 28 iterations. iteration 16: trace = 6.356049901388708 (2.85404e-07% change) linmin: converged after 23 iterations. iteration 17: trace = 6.356049892735019 (1.36149e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356049887839802 (7.70166e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.356049885347 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857859 (2.34287e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.356049883361588 (7.80785e-09% change) linmin: converged after 9 iterations. iteration 22: trace = 6.356049883209116 (2.39885e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 6.356049883160932 (7.5809e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 6.356049883141623 (3.03789e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 6.356049883134007 (1.19811e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.16996049880981445 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768772931 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173738512 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167065866 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479664611 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953734 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054692 (0.000950981% change) linmin: converged after 5 iterations. iteration 7: trace = 6.467983140883332 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050007465 (0.000357003% change) linmin: converged after 5 iterations. iteration 9: trace = 6.467927172636561 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580582 (0.000446853% change) linmin: converged after 10 iterations. iteration 11: trace = 6.467871940836226 (0.000407084% change) linmin: converged after 10 iterations. iteration 12: trace = 6.467850751198577 (0.000327614% change) linmin: converged after 7 iterations. iteration 13: trace = 6.467835734516946 (0.000232174% change) linmin: converged after 10 iterations. iteration 14: trace = 6.467812737195286 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878039142 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 11 iterations. iteration 16: trace = 6.467537992289778 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240856515 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782268256 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440164 (0.00269434% change) linmin: converged after 8 iterations. iteration 20: trace = 6.466437876281591 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072562876 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918629861 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.46640927950021 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508489901 (1.19233e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.466407804625891 (1.08849e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466407055859862 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660054711 (6.12094e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.466406474887561 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394960384 (1.23604e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.466406364405307 (4.7252e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466406353488566 (1.68822e-07% change) linmin: converged after 29 iterations. iteration 32: trace = 6.466406348132334 (8.28317e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466406341484168 (1.02811e-07% change) large trace change predicted (2.07296e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328079522 (2.07297e-07% change) large trace change predicted (4.9286e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296209299 (4.92858e-07% change) large trace change predicted (1.36399e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406208006756 (1.36401e-06% change) large trace change predicted (3.01516e-06%) linmin: converged after 6 iterations. iteration 37: trace = 6.46640601302609 (3.01529e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405815025164 (3.06199e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733870723 (1.25502e-06% change) linmin: converged after 10 iterations. iteration 40: trace = 6.466405707776289 (4.03538e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.466405697328108 (1.61576e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 6.466405689145759 (1.26536e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.466405679866695 (1.43496e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.466405673447975 (9.92626e-08% change) linmin: converged after 3 iterations. iteration 45: trace = 6.466405669427485 (6.2175e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.466405667382207 (3.16293e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466405666184069 (1.85287e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665512342 (1.03879e-08% change) linmin: converged after 10 iterations. iteration 49: trace = 6.466405664658528 (1.32038e-08% change) large trace change predicted (3.62388e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.466405662315172 (3.62389e-08% change) large trace change predicted (1.23484e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654330202 (1.23484e-07% change) large trace change predicted (2.49052e-07%) linmin: converged after 4 iterations. iteration 52: trace = 6.466405638225295 (2.49055e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405616910763 (3.29619e-07% change) linmin: converged after 20 iterations. iteration 54: trace = 6.466405589352709 (4.26173e-07% change) linmin: converged after 7 iterations. iteration 55: trace = 6.466405565247541 (3.72775e-07% change) linmin: converged after 10 iterations. iteration 56: trace = 6.466405553446517 (1.82497e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548896816 (7.0359e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405546945157 (3.01815e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.466405546068716 (1.35538e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.466405545766956 (4.66657e-09% change) linmin: converged after 2 iterations. iteration 61: trace = 6.466405545619112 (2.28635e-09% change) linmin: converged after 3 iterations. iteration 62: trace = 6.466405545535531 (1.29253e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405545465535 (1.08246e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 6.466405545408477 (8.82368e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.466405545374013 (5.32984e-10% change) linmin: converged after 6 iterations. iteration 66: trace = 6.466405545356618 (2.68992e-10% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.5965502262115479 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674928 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140964 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606967 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898029 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.016865668391553 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418435 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707196 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364384 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839870785 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% total elapsed time for run: 4.742814064025879 done /tmp/meepFBAM2J/test_honey_rods-0: 6.71s /tmp/meepFBAM2J/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.022919416427612305 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531376 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581377 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025026 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197167 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624339 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438205 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436863 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528689 (0.000382526% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2804485287729153 (6.39261e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.2804485117540474 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314581 (9.35141e-07% change) linmin: converged after 8 iterations. iteration 12: trace = 0.2804485089210583 (7.50226e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 0.2804485089016305 (6.9274e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2804485088974218 (1.50072e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 0.280448508897052 (1.31866e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2804485088969895 (2.22877e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589493999721 (197.909% change) linmin: converged after 9 iterations. iteration 2: trace = 1.508143754927859 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.30885203849705 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329593 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.226166609694067 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652072 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880573 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842118 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833299 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073498 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209399 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060555842 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188175 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082397 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607439 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484556 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880453 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511906 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769638 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.212099650116126 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915325 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314504 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935237 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 4 iterations. iteration 25: trace = 1.211829202049093 (0.00264223% change) linmin: converged after 4 iterations. iteration 26: trace = 1.211809541117955 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378116 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161111 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648672 (0.00327605% change) linmin: converged after 12 iterations. iteration 30: trace = 1.211675291898178 (0.00195222% change) linmin: converged after 4 iterations. iteration 31: trace = 1.211662280998979 (0.0010738% change) linmin: converged after 6 iterations. iteration 32: trace = 1.211643382935836 (0.00155969% change) linmin: converged after 3 iterations. iteration 33: trace = 1.21162659992948 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078076388 (0.00103348% change) linmin: converged after 3 iterations. iteration 35: trace = 1.211602453573654 (0.000959427% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303621 (0.000342518% change) linmin: converged after 5 iterations. iteration 37: trace = 1.211596448985042 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613230226 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534408696 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947233665 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638927 (6.0383e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891730514 (2.67342e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.211589741312548 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153671 (4.80021e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.211589639031611 (3.64167e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.211589594611976 (3.66623e-06% change) linmin: converged after 16 iterations. iteration 47: trace = 1.21158956839903 (2.16352e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.211589556367128 (9.93067e-07% change) linmin: converged after 12 iterations. iteration 49: trace = 1.211589549125041 (5.97734e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.2115895441677 (4.0916e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501929 (3.85095e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 1.211589533344457 (5.08214e-07% change) linmin: converged after 9 iterations. iteration 53: trace = 1.211589524572527 (7.24002e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 1.211589518683627 (4.86047e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 1.211589515923279 (2.27829e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935591 (2.46592e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 1.211589509905646 (2.5008e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 1.211589507242269 (2.19825e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504814006 (2.0042e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 1.211589503458499 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828647 (5.19856e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 1.211589502438252 (3.22217e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003797 (3.58582e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370284 (5.22878e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031977 (2.79226e-08% change) linmin: converged after 3 iterations. iteration 66: trace = 1.211589500878287 (1.2685e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 1.21158950079275 (7.05987e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767795 (2.05974e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.21158950075596 (9.76814e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.21158950075149 (3.68917e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746368 (4.22797e-10% change) linmin: converged after 7 iterations. iteration 72: trace = 1.211589500739956 (5.29166e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.211589500735592 (3.60212e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 1.211589500732078 (2.90002e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.21158950073009 (1.64134e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 1.211589500729285 (6.64527e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 2.506809949874878 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091568 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650495 (0.0642985% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.185852279461953 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945269 (2.82781e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930404 (7.99847e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37184e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206386292 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626458423 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.32635914351785 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417050729 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659992566 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842349925 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191028 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891297 (0.00295265% change) linmin: converged after 17 iterations. iteration 9: trace = 1.321739521847481 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.32172572941 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827627019 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967652 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062615 (9.79716e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.321713670509885 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167839179 (3.80317e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.321712690348121 (3.61267e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.321712534926184 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068828 (6.37339e-06% change) linmin: converged after 10 iterations. iteration 19: trace = 1.32171239202251 (4.43862e-06% change) linmin: converged after 21 iterations. iteration 20: trace = 1.321712300288046 (6.94058e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.321712123338654 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019293129 (7.87203e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507513 (1.35268e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646560349 (1.46739e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.32171153630515 (8.34185e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.321711488278091 (3.6337e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300561 (1.28451e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138105 (3.14929e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116482 (7.72955e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723406 (2.97399e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580958 (1.07776e-08% change) linmin: converged after 12 iterations. iteration 32: trace = 1.321711465510911 (5.29973e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480893 (2.27109e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470898 (7.56242e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.321711465466492 (3.33341e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.321711465464968 (1.15297e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 1.321711465463817 (8.71069e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 1.3730783462524414 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791531 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15879e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000717308 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05437e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80896e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4468e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841856 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219118 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.67324e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2385111399178054 (4.84333e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670020124 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404602893 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.31830807614734 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425799536 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727764998 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321375499 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402655878 (0.00105619% change) linmin: converged after 5 iterations. iteration 8: trace = 1.31780603387865 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113936861 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254173948 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412525109 (6.38679e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.317796108428165 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055313722 (4.03055e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024469763 (2.34057e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013250307 (8.5138e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 1.317796004194447 (6.87197e-07% change) large trace change predicted (1.71398e-06%) linmin: converged after 4 iterations. iteration 17: trace = 1.317795981607712 (1.71398e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944620041 (2.80678e-06% change) large trace change predicted (6.37213e-06%) linmin: converged after 3 iterations. iteration 19: trace = 1.317795860650072 (6.372e-06% change) linmin: converged after 12 iterations. iteration 20: trace = 1.317795777380561 (6.31885e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 1.31779574800059 (2.22948e-06% change) linmin: converged after 16 iterations. iteration 22: trace = 1.317795733123424 (1.12894e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.317795727441445 (4.31173e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798869 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846536 (7.22671e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.317795723608519 (1.80617e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.317795723503124 (7.99781e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.317795723438862 (4.87649e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.317795723419224 (1.49024e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411639 (5.75552e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.317795723409143 (1.89407e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.31779572340844 (5.3363e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 3.053178310394287 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.71985e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.30469e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 5.09285e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.09166e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.67165e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.0908e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398264 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848053 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 12 iterations. iteration 7: trace = 0.3098213371286763 (2.99596e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3098213371284357 (7.76529e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189141428 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993799497 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436182195 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.30752816825027 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.30710837640601 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612857335 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046916447 (0.00356296% change) linmin: converged after 5 iterations. iteration 8: trace = 1.30690316799575 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582452536 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468965577 (0.000161718% change) linmin: converged after 6 iterations. iteration 11: trace = 1.306893729383213 (5.65908e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106725554 (4.76441e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656149497 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.30689237076729 (2.18367e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.306892063585956 (2.35047e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774968052 (2.20843e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.306891306623066 (3.58366e-05% change) large trace change predicted (0.000143899%) linmin: converged after 11 iterations. iteration 18: trace = 1.306889429035959 (0.000143668% change) large trace change predicted (0.000647086%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342257495 (0.000618783% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864835477 (0.00302078% change) linmin: converged after 7 iterations. iteration 21: trace = 1.30681431727907 (0.00210797% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215996903 (0.00260953% change) linmin: converged after 7 iterations. iteration 23: trace = 1.306736703688265 (0.00332979% change) linmin: converged after 5 iterations. iteration 24: trace = 1.306707762015391 (0.00221483% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694950184262 (0.000980471% change) linmin: converged after 7 iterations. iteration 26: trace = 1.306687572013256 (0.000564645% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169874993 (0.000336894% change) linmin: converged after 5 iterations. iteration 28: trace = 1.306680461142352 (0.000207299% change) linmin: converged after 3 iterations. iteration 29: trace = 1.306678614061887 (0.000141357% change) linmin: converged after 5 iterations. iteration 30: trace = 1.306677292167454 (0.000101165% change) linmin: converged after 3 iterations. iteration 31: trace = 1.306676263847242 (7.86974e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 1.306675403364562 (6.58528e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674673046392 (5.58913e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.306674108939373 (4.31712e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 1.306673737743566 (2.84077e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.30667351396107 (1.71261e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.30667336254353 (1.1588e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.306673228441995 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109728395 (9.08518e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.306673026788126 (6.34744e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971290257 (4.24727e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203631 (3.06784e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 1.306672900420406 (2.35585e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.306672873955531 (2.02536e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.30667284995383 (1.83686e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.30667282803325 (1.67759e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.306672808494411 (1.49531e-06% change) linmin: converged after 14 iterations. iteration 48: trace = 1.306672792916271 (1.1922e-06% change) linmin: converged after 10 iterations. iteration 49: trace = 1.306672780727505 (9.32809e-07% change) linmin: converged after 11 iterations. iteration 50: trace = 1.306672769619262 (8.50117e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 1.30667275826849 (8.68677e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746661385 (8.88295e-07% change) linmin: converged after 6 iterations. iteration 53: trace = 1.306672734228445 (9.51496e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.306672719745739 (1.10837e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.306672703450572 (1.24707e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.30667268574403 (1.35509e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 1.306672664175223 (1.65067e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.306672633630349 (2.33761e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.306672591460604 (3.22726e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 1.306672545961993 (3.48202e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 1.306672503510987 (3.24879e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 1.306672460349332 (3.30317e-06% change) linmin: converged after 13 iterations. iteration 63: trace = 1.306672416062792 (3.38926e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 1.306672371464127 (3.41315e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 1.306672322038946 (3.78252e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 1.306672266788318 (4.22835e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213751226 (4.05894e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.306672169749355 (3.36748e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 1.306672130588269 (2.99701e-06% change) resetting CG direction... large trace change predicted (6.25532e-06%) linmin: converged after 16 iterations. iteration 70: trace = 1.306672048852402 (6.25527e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012705562 (2.76633e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000109404 (9.63988e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995821452 (3.28158e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993013895 (2.14863e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990411293 (1.99178e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 1.30667198915404 (9.62179e-08% change) linmin: converged after 25 iterations. iteration 77: trace = 1.306671988478535 (5.16966e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987984886 (3.77791e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987250895 (5.61726e-08% change) large trace change predicted (1.1298e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985774619 (1.1298e-07% change) large trace change predicted (2.50107e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982506565 (2.50105e-07% change) large trace change predicted (5.4206e-07%) linmin: converged after 11 iterations. iteration 82: trace = 1.306671975423662 (5.42057e-07% change) linmin: converged after 8 iterations. iteration 83: trace = 1.306671966779786 (6.61518e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 1.306671961716131 (3.87523e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.306671959301204 (1.84815e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 1.306671956817843 (1.90052e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127963 (1.29327e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377692 (5.74185e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 1.306671954035964 (2.61526e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899621 (1.04344e-08% change) linmin: converged after 3 iterations. iteration 91: trace = 1.306671953836773 (4.80977e-09% change) linmin: converged after 5 iterations. iteration 92: trace = 1.306671953798491 (2.92969e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790936 (5.78209e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 1.306671953788964 (1.50933e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788107 (6.55595e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 4.135879278182983 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 8.98754e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 4.04091e-16i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -2.36127e-11 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -1.84978e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -4.84174e-12 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -4.92353e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371674 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769492 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522111 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3749802404009221 (1.59362e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.374980240382886 (4.80989e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822896 (1.59037e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3749802403822775 (3.22722e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037468976 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309343067 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984123772 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230165745 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339058738 (0.0146679% change) linmin: converged after 3 iterations. iteration 6: trace = 1.287483849663597 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.286852872035689 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 9 iterations. iteration 8: trace = 1.285207985524536 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768320604 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500817555 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726278301 (0.231794% change) linmin: converged after 9 iterations. iteration 12: trace = 1.275637347194566 (0.151604% change) linmin: converged after 6 iterations. iteration 13: trace = 1.274202244926636 (0.112564% change) linmin: converged after 6 iterations. iteration 14: trace = 1.273022593151316 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215512613 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536153105 (0.0576135% change) linmin: converged after 8 iterations. iteration 17: trace = 1.270883530954769 (0.0365038% change) linmin: converged after 6 iterations. iteration 18: trace = 1.270618409254573 (0.0208634% change) linmin: converged after 6 iterations. iteration 19: trace = 1.270378371272835 (0.0188932% change) linmin: converged after 7 iterations. iteration 20: trace = 1.270104933850805 (0.0215264% change) linmin: converged after 4 iterations. iteration 21: trace = 1.269895617280796 (0.0164816% change) linmin: converged after 6 iterations. iteration 22: trace = 1.269782882745059 (0.00887786% change) linmin: converged after 7 iterations. iteration 23: trace = 1.269719750687436 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766451559 (0.00338539% change) linmin: converged after 5 iterations. iteration 25: trace = 1.269642283701054 (0.00271591% change) linmin: converged after 3 iterations. iteration 26: trace = 1.269619087414573 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472691354 (0.000914824% change) linmin: converged after 6 iterations. iteration 28: trace = 1.26960075952771 (0.00052876% change) linmin: converged after 11 iterations. iteration 29: trace = 1.269595125044792 (0.000443801% change) linmin: converged after 6 iterations. iteration 30: trace = 1.269590376582243 (0.000374015% change) linmin: converged after 8 iterations. iteration 31: trace = 1.269587297967761 (0.000242489% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545822664 (0.000138009% change) linmin: converged after 6 iterations. iteration 33: trace = 1.269584427092741 (8.81178e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532197 (6.44747e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.269583043842194 (4.44784e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.269582710117496 (2.62862e-05% change) linmin: converged after 11 iterations. iteration 37: trace = 1.269582517553372 (1.51675e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.269582385132086 (1.04303e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.269582283106135 (8.03618e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.269582214899105 (5.3724e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.269582174667709 (3.16887e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 1.269582148213005 (2.08373e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127625049 (1.62163e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.269582111948474 (1.23478e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 1.269582102246501 (7.64186e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 1.269582096787492 (4.29985e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349984 (2.70759e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147439 (1.73486e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 1.26958208980672 (1.05603e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 1.269582088919595 (6.98754e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 1.269582088274996 (5.07726e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760964 (4.04883e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 1.269582087362722 (3.1368e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 1.269582087136661 (1.7806e-08% change) linmin: converged after 9 iterations. iteration 55: trace = 1.269582087016048 (9.50018e-09% change) linmin: converged after 7 iterations. iteration 56: trace = 1.269582086921809 (7.42286e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 1.269582086848856 (5.74622e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086811074 (2.97592e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 1.269582086792603 (1.45489e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 1.26958208678127 (8.92651e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771783 (7.47295e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086762962 (6.94774e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.269582086756905 (4.77081e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.26958208675339 (2.76878e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751108 (1.79758e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.26958208674982 (1.01405e-10% change) linmin: converged after 17 iterations. iteration 67: trace = 1.269582086748789 (8.12391e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 2.402693510055542 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 6.04367e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + -2.46288e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 1.97312e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 1.23558e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 1.15109e-11 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 2.34675e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169221 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.402503461195553 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120756 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536846 (5.5398e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024193537529455 (1.83672e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4024193537529305 (3.72448e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896085778 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423794865 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101538 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273219 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.240049955230067 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550806 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.240045445498691 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286185 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300232 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080152 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186143 (7.20948e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 1.240045257084784 (8.17386e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 1.240045257064697 (1.61986e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.24004525706123 (2.79533e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 1.240045257060959 (2.18813e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 0.6238670349121094 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by 1.59637e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by -1 + 1.53943e-14i; max ampl. = 0.472309 Fixing e-field (band 6) phase by -2.37317e-11 + -1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 2.49106e-15i; max ampl. = 0.600013 Fixing e-field (band 8) phase by -7.61896e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + -2.50349e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896235 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898796 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.2090774143742964 at Vector3<0.0, 0.0, 0.0> to 0.2647069574281045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.2527689948075879 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.3373371031125568 at Vector3<0.0, 0.0, 0.0> to 0.44249766491694126 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.44826277655382385 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.468390327176045 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.45149540295292095 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4713194836227727 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801745 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925342 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.4629066580431404 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324135 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% total elapsed time for run: 14.325102806091309 done /tmp/meepFBAM2J/test_line_defect-0: 14.35s /tmp/meepFBAM2J/test_list_split-0 ======================== /tmp/meepFBAM2J/test_list_split-0: 0.00s /tmp/meepFBAM2J/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017392635345458984 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1431887149810791 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4274742603302002 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09351849555969238 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08693289756774902 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10065364837646484 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15633082389831543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11779046058654785 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10087394714355469 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08649444580078125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08308053016662598 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08287858963012695 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06595253944396973 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07596063613891602 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10474896430969238 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12509679794311523 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2534360885620117 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1076347827911377 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001661062240600586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14235424995422363 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5603303909301758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09357333183288574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08678412437438965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10442590713500977 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15807199478149414 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11847925186157227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10109901428222656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08765578269958496 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08394098281860352 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08264899253845215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06575560569763184 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07682013511657715 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10463523864746094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12155342102050781 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.25234460830688477 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.24359393119812 done /tmp/meepFBAM2J/test_load_and_save_eigenvectors-0: 4.36s /tmp/meepFBAM2J/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011801719665527344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.4898474331528381 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.225635440105843 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470997 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911659 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372628 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528239 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 5 iterations. iteration 9: trace = 0.20908357456065 (9.06071e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2090835294053879 (2.15968e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 0.2090835264202497 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060448 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751922 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708316 (2.08556e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2090835261706046 (1.08588e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.0044171810150146484 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886063 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837789 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046524 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630085 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068837 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810976 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596138 (0.0017462% change) linmin: converged after 14 iterations. iteration 12: trace = 0.2014078549180834 (0.000446278% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2014061973776621 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838685192 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218137718 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010267281 (1.0321e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2014046853811636 (7.76822e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2014046607647911 (1.22223e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2014046519840341 (4.35976e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.2014046509571271 (5.09873e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 0.201404650782628 (8.66411e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2014046504701466 (1.55151e-07% change) linmin: converged after 24 iterations. iteration 23: trace = 0.2014046502170883 (1.25647e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.201404650174863 (2.09654e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 0.2014046501695736 (2.62627e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.2014046501670944 (1.23096e-09% change) large trace change predicted (2.5428e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.201404650161976 (2.54133e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 0.2014046501601651 (8.99114e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599528 (1.05425e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.01500558853149414 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853602696 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.187932965403088 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162403 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599349 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411789 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1879007301109863 (1.24012e-06% change) linmin: converged after 13 iterations. iteration 7: trace = 0.1879007300208399 (4.79755e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1879007300173994 (1.831e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.004712581634521484 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204473955 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.176867633415328 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.176857607226484 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062108 (0.000233816% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1768571846110664 (5.14265e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1768571842635598 (1.9649e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1768571842571172 (3.64287e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1768571842568873 (1.29944e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.0046842098236083984 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697398 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280544 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796341 (0.00405164% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1701630475985812 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206584 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28408e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1701630436771916 (1.47057e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.004216670989990234 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068122 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333089 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.167954204675805 (0.000126897% change) linmin: converged after 2 iterations. iteration 5: trace = 0.167954201880074 (1.66458e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1679542017770078 (6.13657e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.167954201774932 (1.23591e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.00422215461730957 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940614 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082772 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1727422906716331 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861118 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682354 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677769 (2.65437e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.004204988479614258 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524435 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1859938669738664 (0.00204807% change) linmin: converged after 19 iterations. iteration 4: trace = 0.1859937714047323 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390203 (2.94232e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1859937688378917 (6.06823e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.004259824752807617 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787785 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067429 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2041420414998278 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330258 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2041420413291271 (1.9098e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.00420689582824707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738395 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831464 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306991 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069986 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975027 (6.60147e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967374 (3.46671e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.0046923160552978516 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2286358930851744 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636124 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2277123246168995 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063265 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.227712284417164 (4.34391e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.227712284386013 (1.368e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2277122843842669 (7.66802e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.0046863555908203125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707298 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 5 iterations. iteration 4: trace = 0.2201021533223286 (0.939334% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2194887472932665 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.219464625857311 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027367 (0.000487029% change) linmin: converged after 5 iterations. iteration 8: trace = 0.21946331464528 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 5 iterations. iteration 9: trace = 0.2194627106479068 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688222 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143564 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685686 (2.08636e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35736e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026467 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.21946249550052 (9.69019e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.008544445037841797 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646439 (1.03552e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2042021396248772 (4.90408e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245605 (1.55114e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.0046844482421875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193464 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458177 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392235 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1959313854311262 (3.27123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1959313854307267 (2.03891e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.004707813262939453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724113 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.200826490458241 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842622 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565632 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968736 (6.97596e-05% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2007748486133251 (2.88061e-06% change) linmin: converged after 18 iterations. iteration 7: trace = 0.2007748484344857 (8.90746e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304177 (2.02616e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2007748484302034 (1.06765e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.005228281021118164 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222553 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500307 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365137 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542952 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2090835247433783 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.209083513086021 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2090835123374098 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673798 (3.34938e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835122583802 (4.30429e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572214 (5.54226e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.003257274627685547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% total elapsed time for run: 0.08724331855773926 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016117095947265625 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737096 (198.885% change) linmin: converged after 10 iterations. iteration 2: trace = 0.1466798479702051 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884268152 (7.01511% change) linmin: converged after 8 iterations. iteration 4: trace = 0.1336076174223923 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030186226 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124266258 (0.0253156% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772349639 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685219587 (0.000609643% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640372008 (0.00015415% change) linmin: converged after 5 iterations. iteration 10: trace = 0.132652933776196 (2.28122e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.1326529311517175 (1.97845e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529297895745 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923156 (7.33183e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 0.1326529296662337 (1.96618e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624064 (2.8852e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621593 (1.86261e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.004621028900146484 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952345748 (5.99259% change) linmin: converged after 8 iterations. iteration 2: trace = 0.1318813366874341 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680470923077 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043076221041 (1.97841% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263881412687 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322441814143 (0.0737925% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1275021779741062 (0.0235782% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865964471 (0.0476116% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300391561 (0.0231165% change) linmin: converged after 4 iterations. iteration 10: trace = 0.127409384942529 (0.00207604% change) linmin: converged after 4 iterations. iteration 11: trace = 0.127409008275602 (0.000295636% change) linmin: converged after 5 iterations. iteration 12: trace = 0.1274085198437589 (0.000383358% change) linmin: converged after 5 iterations. iteration 13: trace = 0.1274080628431376 (0.00035869% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683518 (6.55962e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.1274079726496691 (5.19487e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698066937 (2.2314e-06% change) linmin: converged after 12 iterations. iteration 17: trace = 0.1274079642225557 (4.38288e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1274079624507169 (1.39068e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.127407962318043 (1.04133e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.1274079622925221 (2.00308e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1274079622440875 (3.80154e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155688 (2.23838e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.1274079622132367 (1.83038e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 0.1274079622129682 (2.10812e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.1274079622125828 (3.0246e-10% change) linmin: converged after 21 iterations. iteration 26: trace = 0.1274079622122124 (2.9074e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.013500213623046875 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698992929 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382666 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343674 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 17 iterations. iteration 5: trace = 0.1169623892439101 (3.38126e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1169623869324879 (6.70185e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1169623869302094 (1.94808e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.004720926284790039 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330979 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363016 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989981 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.107479449202565 (6.41651e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.10747944899274 (6.41203e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1074794489925577 (1.69613e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.00469660758972168 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.101413708350161 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944227 (0.0693375% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478893 (1.21745e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.0042188167572021484 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312489 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477763 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840848 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.0992454023723215 (1.04396e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.09924540235031681 (2.2172e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.09924540234966142 (6.60376e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.004221439361572266 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.102374875635537 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883403 (0.000682118% change) linmin: converged after 21 iterations. iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170789 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.102344111210816 (6.11943e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1023441112106435 (1.68631e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004224061965942383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369512 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294544 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817411 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 12 iterations. iteration 5: trace = 0.1111004875283869 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048887 (2.11504e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044872 (3.61458e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.004224061965942383 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803056937 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077914 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291922 (0.00389598% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1236552585512288 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722957 (6.38332e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02949e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.004210233688354492 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1365861283694587 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) linmin: converged after 3 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747934 (5.0038e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.004675626754760742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617778 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.141582779194314 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312478 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22796e-09% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.00469970703125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1391285125980508 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816253 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281961 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256682 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 8 iterations. iteration 9: trace = 0.1366079217893785 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222035 (0.000652942% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1366069869567214 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853872576 (1.14889e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1366069843523761 (7.57561e-07% change) large trace change predicted (2.51115e-06%) linmin: converged after 16 iterations. iteration 14: trace = 0.1366069809219603 (2.51116e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728949 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486546 (1.77445e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469425 (1.25329e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.13660698014441 (1.85386e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 0.1366069801394008 (3.66686e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387246 (4.94983e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.010456085205078125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330211958 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472061 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205977 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632082 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566787 (5.08902e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1283044775564041 (2.14033e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.004680633544921875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759989881 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431211 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028865 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569695 (0.000224639% change) linmin: converged after 3 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1250652866511766 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05563e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.4756e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.004705190658569336 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754086 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499594 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.128744497849947 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198241 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657534 (8.20547e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623984 (2.60597e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.004687786102294922 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581134822 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.133095702821382 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029242 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523272 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658704 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655155 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152224 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.132652945264607 (8.75921e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.1326529452610045 (2.71578e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 0.1326529452608697 (1.01583e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003498554229736328 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% total elapsed time for run: 0.08797478675842285 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011525154113769531 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.654925390620016 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.309127554574498 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641901 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576722 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397315 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779296 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298258806017678 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982560426838611 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263999 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543166 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108617 (0.000106502% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2982519598579504 (5.91879e-06% change) linmin: converged after 25 iterations. iteration 13: trace = 0.2982519583456513 (5.07054e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2982519560571793 (7.67295e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 0.2982519551981031 (2.88037e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551550084 (1.44491e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2982519551524453 (8.5938e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507783 (5.58923e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.43345e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.0053730010986328125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.296625031537239 (4.81134% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2810412199539083 (5.39544% change) linmin: converged after 12 iterations. iteration 3: trace = 0.279707555950153 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858724529 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788775924 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192272173 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509398 (0.000408587% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2795911968916507 (2.85986e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2795911512747838 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.279591139219289 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567464 (4.15801e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2795911379221784 (4.81303e-08% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2795911378697271 (1.876e-08% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2795911378501715 (6.99437e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480384 (7.62925e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.008203744888305664 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2622850419913114 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441836 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243494 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419112 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623717 (0.000111867% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2611842413682738 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2611842409879023 (1.45633e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2611842409520099 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85697e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.0052187442779541016 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2495890152828734 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349513 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963266 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373554 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2490993774413393 (1.21069e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2490993774400478 (5.18466e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.004719257354736328 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615218 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2424595800284271 (0.125854% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2424461076700272 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513502 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.242445714710256 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82256e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2424457144901445 (2.56238e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.00422358512878418 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2406037838644208 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913600188 (0.104331% change) linmin: converged after 3 iterations. iteration 3: trace = 0.240344605830093 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818102 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.240344272608517 (2.48531e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2403442724382655 (7.08365e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2403442724330159 (2.18423e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.004201650619506836 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195067 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.247813601181322 (0.000688232% change) linmin: converged after 11 iterations. iteration 4: trace = 0.2478135705407399 (1.23644e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2478135698495613 (2.78911e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2478135698281643 (8.63432e-09% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2478135698278281 (1.35679e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.00421142578125 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126411 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456906 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479117 (4.25971e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2687921840676185 (9.22755e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2687921840087608 (2.18971e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2687921840070879 (6.2235e-10% change) linmin: converged after 8 iterations. iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.004207134246826172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313863 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488108 (0.147789% change) linmin: converged after 16 iterations. iteration 3: trace = 0.2984110530872368 (0.00393619% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2984106728909152 (0.000127407% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2984106621553145 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2984106619110481 (8.18558e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2984106619038377 (2.41627e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.004223823547363281 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3278879623914542 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976842 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3267691490121233 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855296 (1.36875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3267691033363583 (2.90472e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3267691033112136 (7.69497e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3267691033102652 (2.90221e-10% change) linmin: converged after 16 iterations. iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.004692792892456055 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.341094997463101 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905774 (0.0182379% change) linmin: converged after 3 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700712 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176962 (5.75694e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3391341088659967 (1.52446e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3391341088634663 (7.46141e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.004669904708862305 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444035 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426137 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.326379624479109 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799803 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.321548530039317 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095878 (0.00701071% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3215240569133013 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989131 (0.00088974% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3215198890578121 (0.00040655% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3215197879153998 (3.14576e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3215197847617492 (9.80857e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3215197841679531 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625632 (3.43802e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 0.321519782785552 (8.61568e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.3215197827696916 (4.93295e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.3215197827690929 (1.86223e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.008712530136108398 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2914724979423963 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397658 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380552 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217772 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190731 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741393 (1.54879e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2901214013724242 (5.91176e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.0047414302825927734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778212 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369415 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276491 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.27086079023786 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884341 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.270860725965226 (7.46955e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2708607258906749 (2.75238e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2708607258855506 (1.89185e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2708607258851873 (1.34115e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005197048187255859 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374121149 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722729 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629709 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.275094368246518 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818913 (1.68897e-07% change) linmin: converged after 31 iterations. iteration 8: trace = 0.2750943677030428 (2.86623e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2750943676888271 (5.16759e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2750943676881245 (2.55385e-10% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.00570225715637207 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3063507184999051 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400187919 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850148023 (1.40606% change) linmin: converged after 7 iterations. iteration 4: trace = 0.2982983429994934 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418700292 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.298256612754651 (0.000646795% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607023324 (0.000989774% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309343616 (0.000546438% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533168 (2.37655e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2982519569354681 (1.04537e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2982519563685623 (1.90076e-07% change) linmin: converged after 9 iterations. iteration 12: trace = 0.2982519553645563 (3.3663e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2982519551600122 (6.8581e-08% change) linmin: converged after 24 iterations. iteration 14: trace = 0.2982519551499704 (3.36689e-09% change) linmin: converged after 9 iterations. iteration 15: trace = 0.2982519551494986 (1.58166e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.004728555679321289 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% total elapsed time for run: 0.0845649242401123 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013015270233154297 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.8865138653874602 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978384 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122446 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.302614189348645 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560045 (0.00556691% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3025960087856284 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074369 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599989 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421136 (5.91063e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 0.3025956959407095 (4.64018e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.003894805908203125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3046948505447924 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.301216949397526 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.300937460060279 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030406 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741475 (6.16519e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3009297211602808 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658469 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077821 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020472 (1.90573e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.00522160530090332 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2993772621931771 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981857861 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505741 (0.0709335% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2969599541881717 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822417 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647945 (1.45388e-06% change) linmin: converged after 22 iterations. iteration 7: trace = 0.2969598362065993 (8.69462e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.2969598361844072 (7.47309e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819391 (8.31116e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.0053217411041259766 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2938435215784326 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839091663 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.292646710573389 (0.033302% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2926449733559786 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.292644919356301 (1.84523e-05% change) linmin: converged after 11 iterations. iteration 6: trace = 0.2926449176893364 (5.6962e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.292644917585685 (3.54188e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.292644917581024 (1.59273e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.292644917580711 (1.06927e-10% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.005176544189453125 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109317 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297266 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299021 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2895143959258292 (1.3494e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2895143959126513 (4.55171e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2895143959121471 (1.74156e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.004767656326293945 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.288397186365051 (0.140753% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2883890967942881 (0.00280505% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2883886834700362 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569958 (2.25842e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2883886767783876 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738496 (1.57356e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.0042171478271484375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003745 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 17 iterations. iteration 4: trace = 0.2982086207857146 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260263 (3.55351e-07% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2982086196950975 (1.03715e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982086196943686 (2.44413e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.004306316375732422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016535 (0.830279% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3265044430836114 (0.0405224% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3264980604168625 (0.00195487% change) linmin: converged after 11 iterations. iteration 4: trace = 0.326497926658615 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973251 (1.12138e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3264979228246055 (5.29006e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3264979228224313 (6.65934e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.004260063171386719 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764001 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296902 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003575 (0.00608219% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3690664377461913 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900566 (5.353e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3690664173327332 (1.78104e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.369066417318338 (3.90042e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.004209756851196289 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601687 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169411 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073967 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643571 (3.3645e-05% change) linmin: converged after 19 iterations. iteration 6: trace = 0.4155448000759103 (7.67293e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4155447999425276 (3.20983e-08% change) linmin: converged after 23 iterations. iteration 8: trace = 0.4155447999216209 (5.03117e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210301 (1.42163e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.005219221115112305 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4460423269349527 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.440137635700096 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490917 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759412 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628922 (0.000107525% change) linmin: converged after 6 iterations. iteration 6: trace = 0.4398182203781184 (2.42936e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4398182200041542 (8.5027e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4398182199097641 (2.14612e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058926 (8.80241e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.005234718322753906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940032047 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158862822 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339504996 (1.64035% change) linmin: converged after 6 iterations. iteration 4: trace = 0.4030720876485605 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480361 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470229 (0.0068844% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4024758244070208 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882406 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024755044224085 (3.25649e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4024754425634776 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798516 (9.64935e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.4024754384625254 (5.39974e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481786 (3.56464e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 0.4024754384464008 (4.41716e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452963 (2.74414e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447279 (1.41221e-10% change) linmin: converged after 16 iterations. iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.008538484573364258 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271065 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916962 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265372 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3476919224042098 (1.6875e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 0.3476919188690364 (1.01675e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3476919187143111 (4.45007e-08% change) linmin: converged after 16 iterations. iteration 8: trace = 0.3476919187046048 (2.79164e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.004747152328491211 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3136744626787956 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681898 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050024 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943587 (0.000937848% change) linmin: converged after 5 iterations. iteration 5: trace = 0.3124701893749382 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944266 (1.04986e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.3124701859365782 (5.05163e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3124701859237753 (4.09729e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3124701859233396 (1.3944e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.005293130874633789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174376 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553453 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.30144716227416 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917266 (0.00276941% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3014386435309356 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615978 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123749 (8.26778e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.3014386377980787 (4.74265e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3014386377957537 (7.71292e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.00519108772277832 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540695 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438351 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071231 (0.161988% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3025983731804751 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516379 (0.000727346% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3025957192638609 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202267 (4.78415e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3025956959692816 (4.98834e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418699 (9.05885e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3025956959407161 (3.81301e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.0032892227172851562 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% total elapsed time for run: 0.08057260513305664 done /tmp/meepFBAM2J/test_maximize_first_tm_gap-0: 0.34s /tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018990039825439453 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14353632926940918 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43159008026123047 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0934903621673584 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08666849136352539 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10028839111328125 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15621018409729004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11781120300292969 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.1021883487701416 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08630847930908203 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08316922187805176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08286857604980469 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06572246551513672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.076385498046875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1043403148651123 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15343642234802246 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32598137855529785 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.2135531902313232 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0028533935546875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23821687698364258 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1568918228149414 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.14595699310302734 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.13494038581848145 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1563704013824463 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.24286317825317383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1819934844970703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.15612506866455078 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.13461732864379883 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.129439115524292 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12879562377929688 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.10222578048706055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11787557601928711 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.16144108772277832 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1890718936920166 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.4155237674713135 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.7973673343658447 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0: 6.10s /tmp/meepFBAM2J/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002808809280395508 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.22725343704223633 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6611506938934326 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1469879150390625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.13452720642089844 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1633443832397461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.24141812324523926 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1818850040435791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.15433907508850098 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1347975730895996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.12730789184570312 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12649774551391602 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.10250568389892578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11733174324035645 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1612529754638672 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.18634462356567383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.40378332138061523 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.2756388187408447 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepFBAM2J/test_multiply_bloch_phase-0: 3.28s /tmp/meepFBAM2J/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0021944046020507812 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23314404487609863 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9145488739013672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0963296890258789 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1791234016418457 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.18854713439941406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7187001705169678 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.35565805435180664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.804509162902832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5260026454925537 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.18182706832885742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.24282097816467285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14324140548706055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1691884994506836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2253875732421875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2621936798095703 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5549688339233398 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 5.800880193710327 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepFBAM2J/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepFBAM2J/test_output_charge_density-0: 5.82s /tmp/meepFBAM2J/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.003217458724975586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3138887882232666 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480435, 0.5288079654921338 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854473, 0.08910010798046349 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.40124649301804716 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258756, 0.4012519910570854 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.0928209317476265, 0.28720566826377647 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9335222244262695 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744274, 0.8445541869972999 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.76159973555864, 0.4427396122966541 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.774682184614493, 0.536749112341897 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409558, 0.3120181983255001 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.3891333928974031 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968462, 0.2776208840057367 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633575, 0.6676492387493533 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.21281051635742188 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776014, 0.794273793681514 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676533, 0.30077174113971683 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553598, 0.5586605740288401 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076888, 0.5941655354266827 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364988, 0.35472339076138104 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587057, 0.21322445833844317 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343303, 0.6232654987181568 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08724617958068848 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148872735 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.685449168526309, 0.30054212529308105 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.7833774318115911, 0.5880663066285085 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828623, 0.7295588531246435 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425297, 0.30554099771330806 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879114, 0.24673894372126293 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.096639214965609, 0.5396650770552023 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10090231895446777 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783214, 0.4356739544115278 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809138, 0.4481425123489123 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426055, 0.613901176676964 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942643, 0.7699338908225002 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.0244294608784883, 0.2578911954965593 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285345, 0.33221314071464336 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.091208062115503, 0.4329317404210019 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15791082382202148 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.441588449722544, 0.3584484766510552 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450052, 0.5328472337437873 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895480995, 0.6242704622247064 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.846587869582527, 0.7771267587387292 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650219, 0.23681211415368073 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323594138, 0.5782428829117007 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.087868963505269, 0.37950816222974504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11794567108154297 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037098027, 0.3749021561077718 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378552, 0.5082270947616313 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820271, 0.6251503072235425 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386819, 0.7355775624891373 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182574, 0.18697860294069477 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717464, 0.40777640941204735 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294314, 0.6404816835811383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10065984725952148 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749826, 0.42543224667942553 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475778, 0.43806479968823264 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094475, 0.6230094255521763 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422061, 0.5373015422302753 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792417, 0.3526636498457799 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255503, 0.42073899378393825 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150006, 0.7279717672181147 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08645176887512207 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465532, 0.07946478028057564 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468713, 0.32881162370401207 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.781466869323818, 0.22327322644250844 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502193, 0.6095695047973156 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663711, 0.6540286383396772 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130661, 0.4618905860736039 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214082, 0.761549817160464 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08319520950317383 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598175, 0.0903499596306573 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207214, 0.19597806182936175 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137293, 0.08289042691239858 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258338, 0.577797196952117 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777044, 0.7772986149165845 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709634, 0.5159863025137524 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.111621057536398, 0.7756611032532745 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08287596702575684 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160883, 0.1196586178679453 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117827, 0.11954218308179224 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757012, 0.026633379719919272 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604536, 0.2997497622839807 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666068, 0.8023568424744522 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.881981813442184, 0.8023816357258953 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556937, 0.7797381408708148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06576824188232422 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335804, 0.3658958857200597 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356566, 0.1256061520442118 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476281, 0.11295231544475384 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317921, 0.5738505597977357 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893149, 0.7904020720487933 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990091, 0.48184989547070506 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958845, 0.770610082838527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07611560821533203 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392887, 0.6769327340989405 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500913942 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677109, 0.5562411649880549 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212932, 0.24643500245468974 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160474, 0.7471141728536034 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.0102032173309077, 0.3807469886775263 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865556, 0.7236183032341824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10417652130126953 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208419, 0.776089779274942 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314983, 0.2209621669851284 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516223, 0.5549181091420519 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636716, 0.6405660798575922 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405538, 0.31622629536251884 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408293993, 0.46522856193932866 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.090385645879672, 0.5462861490341253 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12188911437988281 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904063, 0.8350614780723612 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.38702956037312425 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874305, 0.5369475337126824 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928066, 0.39062131308644865 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351244, 0.3640423031892137 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740384, 0.3229108453554062 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1000367447866688, 0.648922709689131 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25293922424316406 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.773229883948055, 0.52880796857026 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195855863, 0.08910054416160851 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882837, 0.40124662932457655 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257027, 0.4012520176853139 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317477913, 0.28720537908724586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.9910690784454346 done /tmp/meepFBAM2J/test_output_dpwr_in_objects-0: 2.99s /tmp/meepFBAM2J/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015873908996582031 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16735315322875977 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.08304786682128906 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.04800224304199219 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.04791259765625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04799818992614746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.047991037368774414 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04458141326904297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.04086565971374512 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.0443570613861084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.0514986515045166 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.055043697357177734 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05851411819458008 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.044573068618774414 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04444742202758789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.051465511322021484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.1636953353881836 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 1.0443305969238281 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepFBAM2J/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepFBAM2J/test_output_efield_z-0: 1.05s /tmp/meepFBAM2J/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017235279083251953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14514994621276855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43558359146118164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09472894668579102 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0872340202331543 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10866713523864746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1571347713470459 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11817216873168945 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10084819793701172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0864717960357666 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0829918384552002 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08267617225646973 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06558418273925781 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0760033130645752 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10411763191223145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12180805206298828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2527790069580078 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1232564449310303 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepFBAM2J/test_output_field_to_file-0-epsilon.h5... /tmp/meepFBAM2J/test_output_field_to_file-0: 2.14s /tmp/meepFBAM2J/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016369819641113281 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14279532432556152 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42743730545043945 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09357857704162598 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08680391311645508 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10049033164978027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1563735008239746 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11780762672424316 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10064888000488281 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08649992942810059 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08291745185852051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08279752731323242 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06570029258728027 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07585430145263672 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10410165786743164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12121152877807617 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25257086753845215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.100841522216797 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepFBAM2J/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepFBAM2J/test_output_tot_pwr-0: 2.11s /tmp/meepFBAM2J/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03686356544494629 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.9773582023559152 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987914 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418229 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2538047517632827 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485482 (0.506821% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2513324422133415 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456115726 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415015 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292775 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617221 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333104 (0.000308277% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2503350629329604 (0.00025366% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2503346861323353 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388485 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842641583 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 6 iterations. iteration 17: trace = 0.2503200648277941 (0.00500125% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2503038592918309 (0.00647414% change) linmin: converged after 4 iterations. iteration 19: trace = 0.2502978020837006 (0.00241997% change) linmin: converged after 6 iterations. iteration 20: trace = 0.2502965572166734 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707163532 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722228 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253181 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855963 (2.05346e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.250295517062488 (2.48949e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.2502955167761253 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556169 (1.28052e-07% change) linmin: converged after 7 iterations. iteration 28: trace = 0.2502955162302593 (9.00366e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423229 (1.54991e-07% change) large trace change predicted (7.06245e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746271 (7.06243e-07% change) large trace change predicted (1.92422e-06%) linmin: converged after 6 iterations. iteration 31: trace = 0.2502955092582567 (1.92427e-06% change) linmin: converged after 9 iterations. iteration 32: trace = 0.2502955074678324 (7.15324e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409572 (1.30596e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 0.2502955070820929 (2.35179e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452399 (1.47238e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.250295507031224 (5.59974e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289675 (9.01523e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.2502955070287157 (1.00623e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.2502955070286879 (1.10891e-11% change) Finished solving for bands 1 to 10 after 39 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077233898725 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244642872523 (118.359% change) linmin: converged after 14 iterations. iteration 3: trace = 0.5830461806925314 (19.4723% change) linmin: converged after 5 iterations. iteration 4: trace = 0.5699441144512948 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912966595823 (1.72596% change) linmin: converged after 8 iterations. iteration 6: trace = 0.5549770053260779 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217793739742 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881752849213 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197783370126 (0.0485651% change) linmin: converged after 4 iterations. iteration 10: trace = 0.5524120846135634 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402469584 (0.0131694% change) linmin: converged after 6 iterations. iteration 12: trace = 0.5523162607151277 (0.00417859% change) linmin: converged after 6 iterations. iteration 13: trace = 0.5523079347101146 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045774295 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348504931 (0.00012126% change) linmin: converged after 7 iterations. iteration 16: trace = 0.5523044939041413 (2.55197e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.552304436370554 (1.0417e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.5523044197504279 (3.00923e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605478 (5.05134e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 0.5523044161634796 (1.44317e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163841 (6.2845e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 0.55230441569158 (2.2597e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 0.5523044156388207 (9.55257e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.5523044156091991 (5.36328e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156003197 (1.60769e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970738 (5.87712e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956438 (2.58909e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.5523044155954007 (4.40226e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666542909068 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.78473693853849 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333415733299 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080400754 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437353265 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989122437 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867796627 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951039055 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878340769326 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509053679 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866377996372 (0.0235857% change) linmin: converged after 5 iterations. iteration 12: trace = 1.36962780390677 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.369391088062188 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936341475 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043664265 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.368967099875689 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763088875 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565082315 (0.00279041% change) linmin: converged after 4 iterations. iteration 19: trace = 1.368847148201917 (0.00251427% change) linmin: converged after 4 iterations. iteration 20: trace = 1.368816057033324 (0.00227137% change) linmin: converged after 4 iterations. iteration 21: trace = 1.368795335795347 (0.00151382% change) linmin: converged after 4 iterations. iteration 22: trace = 1.368783116278413 (0.000892725% change) linmin: converged after 6 iterations. iteration 23: trace = 1.368774313873091 (0.000643085% change) linmin: converged after 4 iterations. iteration 24: trace = 1.368767027164953 (0.000532354% change) linmin: converged after 6 iterations. iteration 25: trace = 1.368760736431406 (0.000459592% change) linmin: converged after 6 iterations. iteration 26: trace = 1.368755530414332 (0.000380346% change) linmin: converged after 4 iterations. iteration 27: trace = 1.368752119509268 (0.000249198% change) linmin: converged after 9 iterations. iteration 28: trace = 1.368749700077361 (0.000176762% change) linmin: converged after 4 iterations. iteration 29: trace = 1.368747854833705 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521812 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675602 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406366086 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106173446 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.368743978090969 (9.35766e-06% change) linmin: converged after 7 iterations. iteration 35: trace = 1.368743922574735 (4.056e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765814 (1.88559e-06% change) linmin: converged after 18 iterations. iteration 37: trace = 1.368743884092742 (9.25891e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.36874387767489 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873565343 (3.00242e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515612 (2.22812e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 1.368743865625732 (3.57253e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 1.368743856077915 (6.97561e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.3687438374822 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.36874380410724 (2.43836e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762213652 (3.06073e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 1.368743718469775 (3.19591e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 1.368743667117277 (3.7518e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.368743567912476 (7.24787e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 1.368743413514559 (1.12803e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170386393 (1.77629e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.36874290964695 (1.90496e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678093777 (1.69172e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429369796 (1.81717e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 1.368741979819385 (3.28441e-05% change) large trace change predicted (7.746e-05%) linmin: converged after 4 iterations. iteration 55: trace = 1.368740938892184 (7.605e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.368739090056015 (0.000135076% change) linmin: converged after 7 iterations. iteration 57: trace = 1.368737088931255 (0.000146202% change) linmin: converged after 7 iterations. iteration 58: trace = 1.368735675140507 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.368734891368119 (5.72625e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383035294 (3.71389e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.368733869786366 (3.74981e-05% change) linmin: converged after 8 iterations. iteration 62: trace = 1.36873322977382 (4.67595e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612876597 (4.50707e-05% change) linmin: converged after 9 iterations. iteration 64: trace = 1.368732103613244 (3.72069e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.368731784347857 (2.33256e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593542914 (1.39403e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 1.368731481630388 (8.17637e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.36873140674677 (5.47102e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346615034 (4.39325e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326392317 (1.47748e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305809781 (1.50377e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 1.368731292682878 (9.59056e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.36873127418859 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246832545 (1.99864e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222075328 (1.80877e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.36873120936438 (9.28666e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 1.36873120497952 (3.2036e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 1.368731202163965 (2.05705e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.36873119954496 (1.91345e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196863351 (1.95919e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 1.368731195122205 (1.27209e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194395566 (5.30885e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038993 (2.60514e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193799064 (1.75293e-08% change) linmin: converged after 3 iterations. iteration 85: trace = 1.368731193445163 (2.58561e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939764 (3.69247e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192446014 (3.60736e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191974353 (3.44597e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.36873119146021 (3.75635e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.368731190770239 (5.04095e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.36873118949346 (9.3282e-08% change) linmin: converged after 4 iterations. iteration 92: trace = 1.368731187986773 (1.10079e-07% change) linmin: converged after 6 iterations. iteration 93: trace = 1.36873118608853 (1.38686e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 1.368731183025278 (2.23802e-07% change) linmin: converged after 11 iterations. iteration 95: trace = 1.368731177621037 (3.94836e-07% change) large trace change predicted (9.62641e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164445792 (9.62588e-07% change) large trace change predicted (1.9722e-06%) linmin: converged after 5 iterations. iteration 97: trace = 1.368731137454421 (1.972e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 1.368731113464183 (1.75274e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088552563 (1.82005e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.368731069158598 (1.41693e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 1.368731058835224 (7.5423e-07% change) linmin: converged after 12 iterations. iteration 102: trace = 1.368731053232792 (4.09316e-07% change) linmin: converged after 5 iterations. iteration 103: trace = 1.368731050633556 (1.89901e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.36873104971949 (6.6782e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381487 (2.46946e-08% change) linmin: converged after 13 iterations. iteration 106: trace = 1.368731049212964 (1.23124e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049113038 (7.30065e-09% change) linmin: converged after 6 iterations. iteration 108: trace = 1.368731049042232 (5.17311e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048990504 (3.77926e-09% change) linmin: converged after 8 iterations. iteration 110: trace = 1.368731048950158 (2.94771e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048928328 (1.59488e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 1.368731048916032 (8.98362e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 1.368731048899377 (1.21681e-09% change) linmin: converged after 3 iterations. iteration 114: trace = 1.36873104886784 (2.30409e-09% change) large trace change predicted (6.63168e-09%) linmin: converged after 5 iterations. iteration 115: trace = 1.368731048777066 (6.63202e-09% change) large trace change predicted (2.5378e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429727 (2.53767e-08% change) large trace change predicted (6.62261e-08%) linmin: converged after 9 iterations. iteration 117: trace = 1.36873104752323 (6.6229e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 1.368731045912793 (1.17659e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044216875 (1.23904e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043121761 (8.00095e-08% change) linmin: converged after 8 iterations. iteration 121: trace = 1.368731041992775 (8.24841e-08% change) large trace change predicted (1.95921e-07%) linmin: converged after 6 iterations. iteration 122: trace = 1.368731039311178 (1.95919e-07% change) large trace change predicted (5.71931e-07%) linmin: converged after 7 iterations. iteration 123: trace = 1.368731031485267 (5.71764e-07% change) large trace change predicted (1.36728e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012784502 (1.36628e-06% change) linmin: converged after 7 iterations. iteration 125: trace = 1.368730990367488 (1.6378e-06% change) linmin: converged after 6 iterations. iteration 126: trace = 1.368730976295667 (1.02809e-06% change) linmin: converged after 8 iterations. iteration 127: trace = 1.368730969549118 (4.92905e-07% change) linmin: converged after 4 iterations. iteration 128: trace = 1.368730962810756 (4.92307e-07% change) large trace change predicted (1.03834e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.36873094858594 (1.03927e-06% change) linmin: converged after 5 iterations. iteration 130: trace = 1.368730920081372 (2.08255e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 1.368730882834771 (2.72125e-06% change) linmin: converged after 5 iterations. iteration 132: trace = 1.368730852396679 (2.22382e-06% change) linmin: converged after 8 iterations. iteration 133: trace = 1.368730837551955 (1.08456e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730831452813 (4.45606e-07% change) linmin: converged after 5 iterations. iteration 135: trace = 1.368730827404748 (2.95753e-07% change) linmin: converged after 5 iterations. iteration 136: trace = 1.368730824204463 (2.33814e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822420989 (1.30301e-07% change) linmin: converged after 6 iterations. iteration 138: trace = 1.368730821966607 (3.31974e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821791054 (1.28259e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 1.368730821728621 (4.56139e-09% change) linmin: converged after 9 iterations. iteration 141: trace = 1.368730821654303 (5.42966e-09% change) linmin: converged after 13 iterations. iteration 142: trace = 1.368730821507535 (1.07229e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821260757 (1.80297e-08% change) linmin: converged after 8 iterations. iteration 144: trace = 1.36873082097219 (2.10828e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820756622 (1.57495e-08% change) linmin: converged after 9 iterations. iteration 146: trace = 1.368730820641313 (8.42448e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820552402 (6.49585e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.368730820416918 (9.89858e-09% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820250079 (1.21893e-08% change) linmin: converged after 2 iterations. iteration 150: trace = 1.368730820107939 (1.03848e-08% change) linmin: converged after 5 iterations. iteration 151: trace = 1.368730819983391 (9.09955e-09% change) linmin: converged after 3 iterations. iteration 152: trace = 1.368730819761438 (1.62159e-08% change) large trace change predicted (3.43357e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819291474 (3.43358e-08% change) linmin: converged after 2 iterations. iteration 154: trace = 1.368730818410742 (6.43466e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730816945762 (1.07032e-07% change) linmin: converged after 4 iterations. iteration 156: trace = 1.368730815482099 (1.06936e-07% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730813979739 (1.09763e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811453384 (1.84576e-07% change) linmin: converged after 4 iterations. iteration 159: trace = 1.3687308066838 (3.48468e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730800936166 (4.19924e-07% change) linmin: converged after 7 iterations. iteration 161: trace = 1.368730796569594 (3.19023e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730793701978 (2.09509e-07% change) linmin: converged after 4 iterations. iteration 163: trace = 1.368730792007114 (1.23827e-07% change) linmin: converged after 14 iterations. iteration 164: trace = 1.368730790449825 (1.13776e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.36873078877671 (1.22238e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787185916 (1.16224e-07% change) linmin: converged after 16 iterations. iteration 167: trace = 1.368730786126542 (7.73983e-08% change) linmin: converged after 6 iterations. iteration 168: trace = 1.368730785641953 (3.54042e-08% change) linmin: converged after 5 iterations. iteration 169: trace = 1.368730785492087 (1.09493e-08% change) linmin: converged after 5 iterations. iteration 170: trace = 1.368730785444299 (3.49139e-09% change) linmin: converged after 7 iterations. iteration 171: trace = 1.368730785431242 (9.5399e-10% change) linmin: converged after 3 iterations. iteration 172: trace = 1.368730785427647 (2.62645e-10% change) linmin: converged after 4 iterations. iteration 173: trace = 1.368730785426458 (8.68561e-11% change) Finished solving for bands 21 to 30 after 173 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230107118482454 (192.441% change) linmin: converged after 10 iterations. iteration 2: trace = 2.817364234098258 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772500907462 (16.673% change) linmin: converged after 5 iterations. iteration 4: trace = 2.264181972599633 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266184760897 (2.63638% change) linmin: converged after 8 iterations. iteration 6: trace = 2.183248746384178 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774130834345 (0.275766% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580412369531 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739063083735 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.157022098206512 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362899544595 (0.0769504% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174695745531 (0.055143% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097710199355 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804496012085 (0.0256456% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338213212591 (0.0216717% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061655416888 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823285355223 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656547787734 (0.00775257% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547249174874 (0.00508223% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480112751347 (0.00312188% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447078138262 (0.00153616% change) linmin: converged after 6 iterations. iteration 24: trace = 2.150426792532528 (0.000943325% change) linmin: converged after 5 iterations. iteration 25: trace = 2.150415528122599 (0.000523823% change) linmin: converged after 4 iterations. iteration 26: trace = 2.150409798893993 (0.000266425% change) linmin: converged after 4 iterations. iteration 27: trace = 2.150405289612995 (0.000209694% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402141190848 (0.000146411% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399522462378 (0.000121779% change) linmin: converged after 6 iterations. iteration 30: trace = 2.15039665038708 (0.00013356% change) linmin: converged after 5 iterations. iteration 31: trace = 2.150393099657722 (0.00016512% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387655108852 (0.000253189% change) linmin: converged after 5 iterations. iteration 33: trace = 2.150380791558313 (0.000319178% change) linmin: converged after 6 iterations. iteration 34: trace = 2.150373779754988 (0.000326073% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366764597099 (0.00032623% change) linmin: converged after 7 iterations. iteration 36: trace = 2.150359397062003 (0.000342618% change) linmin: converged after 5 iterations. iteration 37: trace = 2.150351903688224 (0.000348471% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144581451 (0.000407334% change) linmin: converged after 6 iterations. iteration 39: trace = 2.150335244515378 (0.000367387% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828223113 (0.000298386% change) linmin: converged after 5 iterations. iteration 41: trace = 2.150323123442618 (0.000265298% change) linmin: converged after 5 iterations. iteration 42: trace = 2.150319840871887 (0.000152655% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369712293 (0.000114921% change) linmin: converged after 10 iterations. iteration 44: trace = 2.150315485749122 (8.76133e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485103233 (4.65349e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850325438 (2.95202e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567748734 (1.31412e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402389934 (7.68999e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 2.150313290594287 (5.19904e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 2.150313233313265 (2.66385e-06% change) linmin: converged after 10 iterations. iteration 51: trace = 2.150313205104854 (1.31183e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 2.150313191064191 (6.52959e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156568 (3.67743e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178006574 (2.395e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.150313174684764 (1.5448e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172987224 (7.89439e-08% change) linmin: converged after 21 iterations. iteration 57: trace = 2.150313171840691 (5.33193e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 2.150313171039512 (3.72587e-08% change) linmin: converged after 13 iterations. iteration 59: trace = 2.150313170619235 (1.95449e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 2.15031317031079 (1.43442e-08% change) linmin: converged after 3 iterations. iteration 61: trace = 2.150313170079609 (1.0751e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 2.150313169877512 (9.39851e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 2.150313169681881 (9.09777e-09% change) linmin: converged after 2 iterations. iteration 64: trace = 2.150313169527683 (7.17098e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349942 (8.26582e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.150313169165071 (8.59741e-09% change) linmin: converged after 11 iterations. iteration 67: trace = 2.150313168972158 (8.97138e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 2.150313168727332 (1.13856e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 2.150313168488646 (1.11001e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 2.150313168384446 (4.84579e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 2.150313168200573 (8.55098e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 2.150313168068241 (6.1541e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167955788 (5.22962e-09% change) linmin: converged after 3 iterations. iteration 74: trace = 2.150313167849613 (4.93761e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167775622 (3.44096e-09% change) linmin: converged after 3 iterations. iteration 76: trace = 2.150313167691678 (3.90378e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167607472 (3.91603e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537983 (3.23157e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462588 (3.5062e-09% change) linmin: converged after 6 iterations. iteration 80: trace = 2.150313167392504 (3.25928e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167303481 (4.13996e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.150313167175205 (5.96546e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167058008 (5.45023e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.150313166920491 (6.39521e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761648 (7.38698e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166661039 (4.67882e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 2.150313166582913 (3.63324e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 2.150313166516767 (3.0761e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 2.150313166476436 (1.87558e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 2.150313166453959 (1.04532e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166443228 (4.99022e-10% change) linmin: converged after 2 iterations. iteration 92: trace = 2.150313166437208 (2.79963e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432881 (2.01236e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 2.15031316643078 (9.7706e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 8.545615064988477 (191.103% change) linmin: converged after 8 iterations. iteration 2: trace = 3.261177020959319 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.735430573200602 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623175177841 (5.09114% change) linmin: converged after 6 iterations. iteration 5: trace = 2.527777768730765 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.486971986894361 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814644263359 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458530008747287 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010604792638 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.446951935961674 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000264878866 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801958902615 (0.0900244% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651917245068 (0.0471285% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794386046162 (0.0351559% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022815245383 (0.0316424% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314214162286 (0.0290688% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427434786529 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606064883372 (0.0337177% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080522313934 (0.0215798% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730903992929 (0.0143586% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515489420207 (0.00884796% change) linmin: converged after 4 iterations. iteration 22: trace = 2.43439015648767 (0.0051483% change) linmin: converged after 4 iterations. iteration 23: trace = 2.43428994212513 (0.0041167% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215166715971 (0.0030718% change) linmin: converged after 4 iterations. iteration 25: trace = 2.43415114845797 (0.00262997% change) linmin: converged after 4 iterations. iteration 26: trace = 2.434099388359072 (0.00212644% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069520683534 (0.00122706% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894177866 (0.00072416% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040920660008 (0.000450834% change) linmin: converged after 6 iterations. iteration 30: trace = 2.434034872116067 (0.000248498% change) linmin: converged after 5 iterations. iteration 31: trace = 2.434031134496718 (0.000153557% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967612021 (8.90246e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725302496 (5.10392e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.43402688652064 (3.44607e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138650661 (3.07256e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450920533 (2.82548e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951043302 (2.05371e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674066367 (1.13794e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 2.434024546234764 (5.25186e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 2.434024472708239 (3.02078e-06% change) linmin: converged after 16 iterations. iteration 41: trace = 2.434024422641628 (2.05695e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 2.434024388298194 (1.41097e-06% change) linmin: converged after 10 iterations. iteration 43: trace = 2.434024363245127 (1.02929e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345052513 (7.47429e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334362809 (4.39178e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.434024326947982 (3.04632e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899082 (2.48514e-07% change) linmin: converged after 3 iterations. iteration 48: trace = 2.434024317216461 (1.51298e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315166989 (8.4201e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314138627 (4.22495e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 2.434024313589964 (2.25414e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 2.434024313234834 (1.45902e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 2.434024312971761 (1.08082e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 2.434024312719699 (1.03558e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512227 (8.5238e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381284 (5.3797e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 2.434024312305171 (3.12702e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 2.434024312262395 (1.75746e-09% change) linmin: converged after 3 iterations. iteration 59: trace = 2.434024312237022 (1.04241e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222581 (5.93293e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 2.434024312214297 (3.40325e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.434024312207981 (2.59518e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 2.434024312203503 (1.83983e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200226 (1.3463e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.43402431219786 (9.72097e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 69.55634021759033 total elapsed time for run: 69.59357714653015 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 Outputting fields to /tmp/meepFBAM2J/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014231681823730469 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.8572313785552979 total elapsed time for run: 1.8716239929199219 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.012998104095458984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 2.0637335777282715 total elapsed time for run: 2.0769007205963135 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.026056766510009766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.0132524793511198 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0130986458522337 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769834863 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084975079 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01048323620427258 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.0102424409902169 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181311703 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250368119 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950457948647 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259877944545 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457250036 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656497442 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390759872 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189640433 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928752244 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120393703 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386184279 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985830843 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255178259254 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864075008 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463099257 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666980901 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414011269 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458877895238 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846779652 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766091017 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.0055155938555738 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369324857 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746813334 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747026946 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249525102 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268194269 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235690561 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278624719 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935392051 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815743333 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311781543 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878599148 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839140814 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172401122 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230763979 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631580035 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509322144 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759081667 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770868018 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282992321 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192139758 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141846617 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305231855 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782118358 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930963744 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163560864 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800609 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304593916 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076669668 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750484081 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791960272 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.00332883211888491 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826950451 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405489377 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088477782 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.003163328889122289 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524609273 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020039705 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288078289 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611726987 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980376817 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.00304485318345138 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00304064555406241 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913821156 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667379479 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581972786 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966708699 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927255687 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245945158 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00265471166395599 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953155029615 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905893 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908528192 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.00260285295116619 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623663725 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326043291 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650579867 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307084016676 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518380171 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691425381 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579229 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250769216 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.00251296899881016 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603723 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225728507 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010873554 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897776792 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003718072 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872151304 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456929799 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465741872 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438862831 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946618368 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091239039 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845140008857 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132729022 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759987037 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103136433 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.00208978615307305 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927081060265 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299239504 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753069079603 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461273639 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622915411303 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314458371 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692270596 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220944052 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715856173 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654854694 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076237050774 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712281078687 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375464254878 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295879501 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912417611 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779680649 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562248807 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449980023 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137955979 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212232295983 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093844371 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.00186792318825518 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513872030575 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211892145 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854629947 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517242709 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026902180305 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623959848 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.00183376147018975 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786144484 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047423666 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235935099906 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787630365 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978815236 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066200929 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503995081 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519153915 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963162303 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0018025281290564 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730660552 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790925785 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061939286 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044738919 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0017965541244585 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681916063 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193852691 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.0017955379464277 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519503 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452727127 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864493 (0.000750034% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735659 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873286 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886529 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309854317 (0.000465478% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965312974 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401347 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761273383 (8.66303e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816996 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150943 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519493 (5.71725e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380443 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608933502 (7.55074e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836154 (1.84151e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637419 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633504466 (1.92262e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048418 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024777415 (9.51625e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859962 (1.73203e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576212 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189145246 (1.59562e-05% change) large trace change predicted (4.80672e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617458 (4.80735e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167914 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257128391 (2.45331e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147805 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910977 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.0017951037535781 (8.54173e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903727 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259897 (2.87693e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068009 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523468026 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 3.1079084873199463 total elapsed time for run: 3.134099245071411 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.029860734939575195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114184657882724 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937402 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01023471071196789 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075714865 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094119836 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877247287 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.00866446695717939 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378830409 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00740758423591588 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721433702 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156717638 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995878973 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684017634 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447179532 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896288347 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160559399 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706280261 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734002537 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104531706 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513799384 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950173305 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941072207 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782538215 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.00316719165356456 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773809876 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198364384 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00257888861094957 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356288463 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133013872 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966297052935 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00230952225688578 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017512322 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304810562 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001869572230018964 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068869821 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323899581 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179786818 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763097633 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377056206 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965221875 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215156962916 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776484534 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335513 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473435619 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093908501 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973057045 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326814554 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853670223 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593560836 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360760188 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293563167 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054991738 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863390343 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870888203 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860413082 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208781389 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235985355 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359723673 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487716534 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286258534 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688690072 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.00113098511869201 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418166274 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081984796 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130405109 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902352011 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00109985764296582 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579151795 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041036904 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944153 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706009769 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061312677 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488237998 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724638215 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831575824 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532943453 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941722735 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482021609 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956332927 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472237663 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028338295 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945944 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568588497 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029376 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446434241 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877263584 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600265862 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096659732 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662723504 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342183289 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219091711 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448650391 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000976685423184101 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907699708 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.0009747603385530539 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131746295 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646618353 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0009739030579464571 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114917995 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111499278 (0.00192062% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097387 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524759811823 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974930681 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422981667072 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0009727738508667301 (0.00703605% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318780947 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085115 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.000972652788100856 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459000982743 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782570221 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550669275 (0.00043421% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456031 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477185902434 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835521 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398552108 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314135625 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987532097 (0.000651181% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150284 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886734 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760901 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967827628 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731552 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173627 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963283687 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982548 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290424 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832429 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010355564 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807183 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509303127 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443926 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331301186 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776645 (6.86045e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291662 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040578 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322678876 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561631 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352126 (3.41618e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585543 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.000972459650211416 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 2.0286593437194824 total elapsed time for run: 2.0586583614349365 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013619184494018555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514248 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.0131293893823858 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355348 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955219 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352510294 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413979776 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371257093 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891971312 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764865695 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851833582 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675902091234 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650039604 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944034019 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126198728 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286211165 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313957203 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857964777 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983516382 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288217489 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182198492 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500164921 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282977529 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002642331733109301 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567296367 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244822608 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035550776 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953470738 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188514256 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133717624 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.001692171162079923 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949295193 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252322982 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418586345 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430383476 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459233489 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343185326 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477416706 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240507967 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837678978412 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208429826 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884322843 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032308202 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031014585 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826396069 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255416237 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945719087 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163351396 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357448248 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183553205 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687859413 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936463082 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203004086 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544456774 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783084 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158638193 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439271515 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000584999189852645 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421320456 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312929826 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095208225 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745383402 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646077653 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954724528 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140712973 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221285828 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688545946 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127305461 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680208836 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907333682 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368370328 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.000511608216276014 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581589 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830389853 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305169946 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630958849 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004610867968616982 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611165299 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524354 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054383692 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246070159 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945087943 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789180884 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710491528 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812387 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239678319 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667574598 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248477418 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906056 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746356611 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171318294 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589956872 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856061341 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542244 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673611256 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986457235 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806051777 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303385 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905857432 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.0004437432255006679 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983482 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.000443656704665559 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975620899 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000443596595424909 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010882656 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585284 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515570951 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167245 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0004434714731012338 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151230344 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055763201 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132256 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924350159 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981872072 (0.00130674% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803079899 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054671 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721778282 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989790834 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004433937107530678 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247387 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351566106 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465956 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293131 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476687 (9.26878e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 1.7970466613769531 total elapsed time for run: 1.8108036518096924 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.031500816345214844 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313921802708361 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553266 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607493082 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370443547 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309330053 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971077283768 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280225186 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313486501 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329332547 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189450767 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947690497 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163447735 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769472903 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245604592 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611878811 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994044893297 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898350157841 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634746582 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708253777 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469704832 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922505572 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886136103 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177918705 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324685609 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221273504 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107366163 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509122882 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398965061 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936099284 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147047012 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683030569 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993311022 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904242548188 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641508177 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358344507 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863323182 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515989721 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606828225 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867285795 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836859725 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302646228 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275704825 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727051532 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005827625 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.00110859569902975 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372108893 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259085611 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911355253 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932451903935 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198763121587 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290240061 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068768647573 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000930962073371916 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277477792 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740520585527 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234266234 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000871693071466451 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145308695 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080001816 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283020192667 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553908193 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094771208 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513437934 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661539716 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891788135 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029169372 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591574285 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272537656 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.000794190965401303 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265299957 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069306927 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868584082 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743112499 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045869264 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899939187 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000728644102354961 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406317841 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000718077187500906 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846879655 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296068739 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404422598 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071703376 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000712662076958642 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716358145 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832196567 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335649579 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747960747 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344343849 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515805088 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024921158 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993797611 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428688 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075466887 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437309847 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274637296 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363022342 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.000706140318493618 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000706095099610728 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330946713 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630741 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581192479 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514747325 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475522372 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000705648336961321 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182104818 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329035974612 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515591156 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743522219 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128185 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644731049 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849887 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0007054065895959976 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952447704 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001434995 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220366 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.000705380435396726 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369695 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742080981112 (0.000113435% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075282 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218474 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.000705365103599717 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000705365060349489 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.000705363032831463 (5.34146e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 1.6782987117767334 total elapsed time for run: 1.7099530696868896 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014412164688110352 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598249 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005125724 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159436247 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476739567 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006982954 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896506772561 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869821944279 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806986723392 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008325902736362793 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435668898778 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983819601372 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948102592079 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586514291060854 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827790274 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859069506 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992560398251 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633266784209 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501597863202 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260304068634 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354748756 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914038384 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308932284200158 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506789923117 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327275611987 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641017994111 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243839982068261 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628118501227 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575621425 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00190744712172359 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521982554 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002882612 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013250786 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162157241635545 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837305204811 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181622609916 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950679983 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631723321 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578855174 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224371966 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930559096441 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334915742 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277760946 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633724335882 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499847442413 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091629092011 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624950684855 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888832388871 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178081785649 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349714469041 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172098281029 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476375286576 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683320960094 (2.79576% change) linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 98.536%) iteration 54: trace = 0.0007448033462970293 (2.16021% change) iteration 55: trace = 0.0007395076947308179 (0.71355% change) iteration 56: trace = 0.0007352820756651053 (0.573047% change) iteration 57: trace = 0.0007215688620192971 (1.88258% change) iteration 58: trace = 0.0006995830451890325 (3.09408% change) iteration 59: trace = 0.0006907662411073694 (1.26829% change) iteration 60: trace = 0.0006862752011588193 (0.652274% change) iteration 61: trace = 0.0006775510008826386 (1.27937% change) iteration 62: trace = 0.000661937396636334 (2.33128% change) iteration 63: trace = 0.0006535129760739318 (1.28084% change) iteration 64: trace = 0.0006506347976208965 (0.441388% change) iteration 65: trace = 0.0006481076264471567 (0.389172% change) iteration 66: trace = 0.0006421990570322826 (0.91584% change) iteration 67: trace = 0.0006321774802661257 (1.57278% change) iteration 68: trace = 0.0006259750952155139 (0.985951% change) iteration 69: trace = 0.000623278889516347 (0.431651% change) resetting CG direction... iteration 70: trace = 0.0006226215687630837 (0.105517% change) iteration 71: trace = 0.0006191602417820845 (0.557477% change) iteration 72: trace = 0.0006126512370827651 (1.05682% change) iteration 73: trace = 0.0005989205384044014 (2.26659% change) iteration 74: trace = 0.0005847456995950592 (2.39507% change) iteration 75: trace = 0.0005752830324279322 (1.63145% change) iteration 76: trace = 0.0005678845305126278 (1.29439% change) iteration 77: trace = 0.0005628285912797225 (0.894292% change) iteration 78: trace = 0.0005626555392125205 (0.0307516% change) switching back to exact line minimization large trace change predicted (1.22609%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005557706651917763 (1.23117% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005555986602208504 (0.0309537% change) large trace change predicted (0.468883%) linmin: converged after 3 iterations. iteration 81: trace = 0.0005530043842738982 (0.468026% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005527536657756488 (0.0453478% change) large trace change predicted (0.2609%) linmin: converged after 3 iterations. iteration 83: trace = 0.0005513180200984618 (0.260064% change) linmin: converged after 3 iterations. iteration 84: trace = 0.0005512439133230123 (0.0134427% change) large trace change predicted (0.413105%) linmin: converged after 3 iterations. iteration 85: trace = 0.0005489914337672051 (0.409454% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548404744542217 (0.106924% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005477860193878605 (0.112886% change) linmin: converged after 3 iterations. iteration 88: trace = 0.0005477247137427831 (0.0111922% change) large trace change predicted (0.107168%) linmin: converged after 4 iterations. iteration 89: trace = 0.0005471366202782986 (0.107428% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005469147207541458 (0.0405647% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0005466761418329422 (0.0436322% change) large trace change predicted (0.104467%) linmin: converged after 4 iterations. iteration 92: trace = 0.0005461037789638006 (0.104754% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458259168297896 (0.0508938% change) linmin: converged after 2 iterations. iteration 94: trace = 0.000545651339146641 (0.0319892% change) linmin: converged after 3 iterations. iteration 95: trace = 0.0005455448307391693 (0.0195214% change) large trace change predicted (0.126201%) linmin: converged after 3 iterations. iteration 96: trace = 0.0005448569642546447 (0.126168% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005447722760054545 (0.0155444% change) large trace change predicted (0.083036%) linmin: converged after 4 iterations. iteration 98: trace = 0.0005443194993251672 (0.0831476% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005443050222957469 (0.00265969% change) large trace change predicted (0.0595276%) linmin: converged after 4 iterations. iteration 100: trace = 0.0005439800093051602 (0.0597294% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005439529857108651 (0.00496788% change) large trace change predicted (0.0541096%) linmin: converged after 3 iterations. iteration 102: trace = 0.000543657633751566 (0.0543121% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005436505135158503 (0.0013097% change) large trace change predicted (0.0142613%) linmin: converged after 2 iterations. iteration 104: trace = 0.000543572946093896 (0.0142689% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005435662850020111 (0.00122543% change) large trace change predicted (0.0223306%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005434449260754796 (0.0223289% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005434406976463318 (0.000778082% change) large trace change predicted (0.0101686%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005433854614796105 (0.0101647% change) linmin: converged after 3 iterations. iteration 109: trace = 0.0005433630209173898 (0.00412985% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0005433198677410858 (0.00794218% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0005433016491217589 (0.00335326% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432904552375306 (0.00206037% change) large trace change predicted (0.00503731%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432630888115566 (0.00503729% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432405511159749 (0.00414866% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432232343119156 (0.00318774% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432227204238679 (9.45998e-05% change) large trace change predicted (0.00254651%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005432088848917903 (0.00254697% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005432080586324675 (0.000152107% change) large trace change predicted (0.00130205%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005432009854965117 (0.00130211% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005432007843361913 (3.70324e-05% change) large trace change predicted (0.00117154%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431944207952946 (0.0011715% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431939577061234 (8.5253e-05% change) large trace change predicted (0.000843668%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431893750371498 (0.000843656% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431891409549458 (4.3094e-05% change) large trace change predicted (0.000806767%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431847586501823 (0.000806777% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431843328528601 (7.83891e-05% change) large trace change predicted (0.000740693%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431803095915942 (0.000740683% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000543179959249254 (6.44984e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431795265019933 (7.96693e-05% change) large trace change predicted (0.000202366%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431784273172502 (0.000202361% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431780317806902 (7.28189e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431778501809542 (3.34328e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431776179226803 (4.27592e-05% change) large trace change predicted (0.000164561%) linmin: converged after 2 iterations. iteration 134: trace = 0.000543176724085599 (0.000164557% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431767010750109 (4.2363e-06% change) large trace change predicted (2.12489e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431765856562453 (2.12488e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431765718071127 (2.54966e-06% change) large trace change predicted (5.28436e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431762847744628 (5.28434e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431762754553261 (1.71567e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005431762667404001 (1.60444e-06% change) large trace change predicted (1.19454e-05%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005431762018560444 (1.19454e-05% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005431761980762738 (6.95865e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 2.0462465286254883 total elapsed time for run: 2.0608127117156982 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01366281509399414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459344 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042482 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226433 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114262646608427 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105778426814247 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01013639857555772 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209514276 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416124102 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991395282 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844160287 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845411724 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279331015 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864490118 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791934243 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295089338 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249097797 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950872016 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00454821626307008 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626848155 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661184533 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003401441414579496 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500870931 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866362605 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419534281 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702040715 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508290575 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055495985 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058566574 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440863474 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958935488 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503170069 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549753952 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473819884 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00173780035932814 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627719343 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809877337 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783728522 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415227613 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134873148 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642656029 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764719755 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105177768 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562989852 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.00108743367114814 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521884282 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035013724 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468268955 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009665939687700462 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303358663 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733055747 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069755231 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495180147 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129427833 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700076778 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326929656 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473208021 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.000814772592137432 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000790079348502702 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750144772 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000772667468305976 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901889924 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368877253 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165921 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134007473 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599744119 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013479041 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691332926 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608906345 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341157817 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384218669 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.000705411533580544 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508285004786 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006893877837385344 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879499206 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973036735 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496927666 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708276554 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424076794 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415589562 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962219 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858427757 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099556 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957666 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372126 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416292021 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513807541 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0006288999747737499 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921858 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812703783 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.000626904802743337 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995434704 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312007239 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788694509 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450392 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225647274 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954456881 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073482931 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428375 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162112551 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433756 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429819745 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170757117 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387217271 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226067 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340010048 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011318 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679885372 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541319 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857191 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266605454 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523970991 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706663 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607942054 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965006 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784983962 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212109 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514363969 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031520221 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099845 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208742 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673057 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128384 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.000623668112285246 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265661 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 2.787832736968994 total elapsed time for run: 2.801638603210449 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.025667905807495117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777702836 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379161198 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504605953 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375305804 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175048609 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490400305185 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993326940529 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068449824534 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042033741517 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268447758417 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074914981587171 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.0068424473100983 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462447490108 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808379186664 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963849388867 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508618371709 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607719456693 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220450095891 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098291745498 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891927072717 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517045039942 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890421897692 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917254376704 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088802517308 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905354961251 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218192750009 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970559116478 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189379115413 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181140043519 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998536383545 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919563143996 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173040973493 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415844799382 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123099137429 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365652848173 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717456680297 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605877456531 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184370411997 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709291606005 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235031558499 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435546869993 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218047810318 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833174184015 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876536841237583 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331475532206 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190901935964249 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432198162384 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679701532720463 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905174485772 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007096165986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920805724629956 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093301004699 (1.13907% change) large trace change predicted (2.68697%) linmin: converged after 3 iterations. iteration 53: trace = 0.000761528135426248 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452605624350398 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399617659225152 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447431366061 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218264872609612 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561395677295 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862155723300258 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814083599369329 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741503650176685 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992435064616 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513435801790412 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234338593133 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469457745291533 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678038498573 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481335459715 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133434824635 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060186849304 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820238752668 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619185975240027 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.000608334214180028 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816199266593 (0.718063% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484819626666 (1.43966% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995314258247 (2.76708% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612320257452 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632764663985446 (0.0682852% change) large trace change predicted (0.152933%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156431369534 (0.152941% change) large trace change predicted (0.911933%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573059832628463 (0.912666% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534005750334278 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.00055274427599954 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523218980174362 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515157998726197 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490273906202861 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973062606488 (0.0601397% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468194065228 (0.02743% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724554569566 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475043874774154 (0.0854547% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523294807735 (0.0277768% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797076870569 (0.0132687% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462877992637638 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204284860174 (0.0306425% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502535363965 (0.0494839% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795521222682 (0.0129534% change) large trace change predicted (0.0900911%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879398776338 (0.0901158% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433198611155 (0.0265253% change) large trace change predicted (0.0932212%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446350610887845 (0.0932775% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624438164947 (0.00195049% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708252562894 (0.0833238% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000544155958915407 (0.00273196% change) large trace change predicted (0.0234908%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279380228253 (0.0235293% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224436552551 (0.00100995% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439111758877257 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049303812264 (0.00114827% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403048495797 (0.0118825% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438366903992418 (0.000664618% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752654461827 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437508689527801 (0.000328368% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436882857253549 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543684890476973 (0.000624486% change) large trace change predicted (0.00985789%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436312612632965 (0.00986451% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436281807409389 (0.000566658% change) large trace change predicted (0.00213148%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616591628237 (0.00213183% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156048902152 (0.000181514% change) large trace change predicted (0.0028618%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000468416936 (0.002862% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987076421373 (0.000246358% change) large trace change predicted (0.000702186%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435948906151827 (0.00070218% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435929921312011 (0.000349247% change) large trace change predicted (0.000866577%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435882815001127 (0.000866577% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871105991721 (0.000215402% change) large trace change predicted (0.000869541%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435823838934027 (0.000869543% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435803690114208 (0.000370668% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791307631939 (0.000227795% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435777689746245 (0.000250523% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435751707260391 (0.000477991% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435739679067277 (0.00022128% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737252640443 (4.46384e-05% change) large trace change predicted (0.000217277%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725442399476 (0.000217271% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435724752420875 (1.26934e-05% change) large trace change predicted (0.000125578%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543571792640621 (0.000125577% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435717814305401 (2.0623e-06% change) large trace change predicted (1.96196e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435716747838638 (1.96196e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435716602874839 (2.66688e-06% change) large trace change predicted (4.27176e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714280874962 (4.27175e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714166124248 (2.11105e-06% change) large trace change predicted (2.06104e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713045803726 (2.06104e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435712951288903 (1.73878e-06% change) large trace change predicted (2.10131e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435711809078232 (2.10131e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435711770990963 (7.00686e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.630974292755127 total elapsed time for run: 1.6567769050598145 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.029718875885009766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863185967 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774833224 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705841226 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206141128 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914587231 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101254999134157 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881709701506 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172549101381 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877157839653 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498787756292 (2.11057% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056920432608 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108024926639 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796618362754 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474462820255 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215664354896 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156702961628 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726896251719 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952612336179 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612815687704 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077305098401 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025632710932 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987412972769 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820574125448 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331479516706 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456662601979 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517960519107 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541863440773 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277716031493 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520858154074 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871567932314 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954606964787 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742176070534 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401480554153 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658538789076 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381790441264 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927730520019 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106672370231 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217043449629 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812774042486 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068483765795 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684434178517 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485542989582 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592535747345 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151646856844 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870679438447 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995681967128 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160172788697 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.000916747039961763 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207411316604 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.000845315910739186 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202664902233 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298050946925792 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190305708065 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00079162854181852 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346521403004 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219005136344 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304581465391 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387605412753 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946250854298 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202261531445 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191450877924227 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525736362298 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006952825101851143 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243302519913 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570224824894 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288435497712 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751904863054357 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000669088687421683 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308209190745 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006658947431497208 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147732805265 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874122261623 (0.397663% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944240491453 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167738414215 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046743833662 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224092766447 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006040729301268874 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815539733843 (0.0813769% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971533915254 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478594285522 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851018423737 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925185855030427 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.00059196003377382 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395482870437 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890400906086922 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530451308513 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459056956921 (0.0352069% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693433606549 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543283532003 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866772914158684 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863761995034629 (0.0513347% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485209182793 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110691555368 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164403279337 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989725401113 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175436137281 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742773228976 (0.00740106% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585760057476 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.000584138895070905 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462455993263 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312708413394 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134763641139 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926761916925 (0.00356287% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269107374333 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235112543789 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230152130138 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125618292835 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509247703784 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005835489219978633 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902614464862 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861728487699 (0.000700716% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728536184104 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693335156781 (0.000603304% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547408249953 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540189343517 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834482943557169 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430685521981 (0.00089568% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414246136493 (0.000281765% change) linmin: converged after 2 iterations. iteration 119: trace = 0.000583440021815303 (0.000240435% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328742578728 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306782744242 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302085139139 (8.0517e-05% change) large trace change predicted (0.000409963%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278167548468 (0.000409949% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254578601202 (0.000404317% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241763966919 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834238920162862 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834234814189031 (7.03772e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229276800435 (9.4912e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000583422777757594 (2.5697e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227469414697 (5.28195e-06% change) large trace change predicted (3.57129e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225385851272 (3.57128e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225079959275 (5.24306e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223409330843 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223248947772 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221784127051 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221738396828 (7.83827e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 1.8153607845306396 total elapsed time for run: 1.845226526260376 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01345968246459961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790272 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988524 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801595 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373108091 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177208885 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408591771 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404033396 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607940587 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221060056 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739073096 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363396836 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679414089 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857372367 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909841453 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440608213 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169240911 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209893305 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918162126 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876742301 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430833046 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752727828 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899184164 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728414731 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266636267 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815916347 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653000225 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014403337 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982681894 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583129513 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976145633 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993043693 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476495419 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286550433 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162212353838028 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074293748 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884162799 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316193439 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805791781 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709360204 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00111623543338231 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949633795 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450357667 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573696028 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075200929 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329052125 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772408482 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032251132 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371473983 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944839804 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081069695 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942015712 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983221053 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021463531 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270883194 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294902495 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060370818 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493208867 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988970681 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288384622 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151783378 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190322297 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999593990964 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268060546 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794177938 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201474936 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505262758 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776250485 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834478266 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575923773 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626952816 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863133616069 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730580587 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543628497 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798910976 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998596877415 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393331692 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884665681 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234190719 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060359069 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786385157 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946466324 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163898547 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191466685 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985879651 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623110483 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396821204 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715095822 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960192314 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468567757 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290293612 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158297369 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310050715 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569783267 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750513594 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561203112 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436124974445 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772469695 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544056486 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389092806 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712456721 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539033368 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592140726 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907695426 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244202147 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201617806 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370057943893 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695511694 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838110207 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018522329 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056529515 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751854617 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957788854 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070668722 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000543615919996248 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612492462 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227215039 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063180369 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071898066 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.00054358859601461 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256609328 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997748046 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840818036 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453798377 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840383554 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863130363 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742829705516 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401718096 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593041579 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903393508 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077005028 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964873088 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898450592 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753561549 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431473075 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316679715 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196410212 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716101946184 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959679594 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921580013 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.1609179973602295 total elapsed time for run: 1.174536943435669 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013791799545288086 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298193044 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301533037 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131340065823002 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142972906174647 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468615556 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037275556 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894697410781 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077201693171 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897105585187 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493537139449 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225557790662 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992360834375 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006670707148711022 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156585908601 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769803554808 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233022473838 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812072306974 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132493966217 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441223102513 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.00375749804619481 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049608431147 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169178898424 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780792087666 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482749328674 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289448139258 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514620462402 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359171340254 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00206225991818911 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187565261313 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785434790516 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930131884017 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746440539104 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547840472606 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063387730005 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854509801499 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699721755437 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533360390276 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889725910674 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118502169543 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570245456244 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914306451573 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696598318582 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085099834844 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315847811798 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843690857711 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542238913189 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901104504688 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.00089222882172979 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236657553657 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818401916776 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335263502658 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063589903628583 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792731413529 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.000768317837295277 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615120579575 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989589652365 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092724235094 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764025318598 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748269204777 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858072162644 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316746020617 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310514575978 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272384762677 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397158021367 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664837587572 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582507514787 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764406302264 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716240992867 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938464760763 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641242639965 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250656691629 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861310018571 (0.994568% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090508931411 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593592231807 (0.456913% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530361937158 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776608078627 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056777493907 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765035536832 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134877799168 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210724651654 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000572950170249479 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824548323525 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748702563557 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973259428325 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164250848475 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685240979241484 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601598486073 (0.0816373% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452518002897 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892407550663 (0.00987123% change) large trace change predicted (0.046611%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245000603766 (0.0466703% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735233497347 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201234487485 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242095445518 (0.0169497% change) large trace change predicted (0.0719273%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172619089741 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372569088804 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224524696528 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479760857395 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908474158557 (0.0278365% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061311855421 (0.0504594% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955064155911 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228512580232 (0.0128831% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118778751996 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049865089762 (0.00122229% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005637413373947629 (0.0112898% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272003570407 (0.00250775% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328701905146 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302031810029 (0.000473183% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635667907629519 (0.0112513% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635621975576329 (0.000815027% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057562367899 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037657161913 (0.000353239% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889554967986 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882500207041 (0.000125198% change) large trace change predicted (0.00291265%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718368606323 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714629588591 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658359835452 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622611012143 (0.000634447% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005634592206841031 (0.000539597% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586717534609 (9.74216e-05% change) large trace change predicted (0.00131779%) linmin: converged after 2 iterations. iteration 120: trace = 0.000563451246499804 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495308804212 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488859421463 (0.000114463% change) large trace change predicted (0.000368047%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468122471659 (0.000368037% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634442896276727 (0.000447713% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433217870025 (0.000171772% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428100498415 (9.08232e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000563442286896471 (9.28495e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634419936475005 (5.2046e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418360346279 (2.79732e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634417906624986 (8.05267e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634415958488791 (3.45756e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415811014236 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414122970389 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634413950827437 (3.05521e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412565880829 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412488816005 (1.36775e-06% change) large trace change predicted (3.3994e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410573433432 (3.39944e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410448110749 (2.22424e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634409992211973 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634409924951389 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409673459414 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.000563440954752899 (2.23502e-06% change) large trace change predicted (1.00798e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634408979593727 (1.00798e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408714991074 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408687754137 (4.83404e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 1.1629788875579834 total elapsed time for run: 1.1769120693206787 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013400554656982422 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801604 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144277 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177223048 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408587956 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403827727 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607452543 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220838404 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873861899 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362555521 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678772904 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462856663876 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909928048 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406428773 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169359012 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209572242 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917649123 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098766993594 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431179084 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527330652 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899153946 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728573023 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266622837 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815715941 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652860022 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014983271 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827240201 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583259006 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976254398 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993259559 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476638622 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628660496 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538462435 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074622875 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884523096 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316411443 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805986955 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.0011917097095799 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433554249 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.00108243594973899 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.00107121845045674 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573834345 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753936851 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330215574 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577329504 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033286145 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373148768 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946244975 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811704082 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421113702 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984309267 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022641504 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271744184 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295651155 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451061155918 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494247323 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990052765 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289306486 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152688499 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191320719 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940900468 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268854088 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794914478 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202225589 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506114926 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484777095407 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835207942 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576633713 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627665605 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134326038 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730289698 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544199722 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000595348179189886 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597295305 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393726269 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885226191 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234280986 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.000557306306080149 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786782638 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947025942 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164461232 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021391 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986329888 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231640826 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397404792 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715634857 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960650282 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117775 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290895339 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850799 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310450219 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385225 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751148077 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175199 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125263715 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024997 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624754461276 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389623531 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712972161 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585996 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759268954 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238331 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442552366 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165299 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492408 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057079 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653024 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079867 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205707564 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752387429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334151 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121843 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508196 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613030362 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760433 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733386 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072443479 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685232 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154622 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998303329 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363563 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000543579445433883 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929086 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.00054357548636822 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251029 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402261877 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.000543572859358711 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939424 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550543 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418547 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996097 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107123 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018567 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225109 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955692 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491742 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225137 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125518 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.1555941104888916 total elapsed time for run: 1.1691360473632812 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013576030731201172 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396274532345199 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895735416 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091081478 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892773263 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111512836 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134264548 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00987943278063535 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00885106110892064 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952952031241 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408560051114 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003145631657 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00685414605224165 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474924917567 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487142524704 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413859144998 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848399666821 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121718146103 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061810781949 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00438316601402464 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707616867863 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730456564279 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003232963605492641 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832642680174 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002803732815933639 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002725499787831527 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002688778920353689 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217035233222 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239450115387 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146658689011 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857255198897 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427630163147 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910796829429 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392694279697 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012390877175 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609381198778 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179659130357 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001269484303369937 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00124595473258455 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877453793583 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884034380323 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136820478046 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916125271786 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001063426112071413 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651536852572 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780881622484 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870143909756 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318538772493 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.000880068055644531 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748430209194 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098586010984 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279013024407 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097569508062 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802219368811 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571063197923 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000751426980649221 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879897502856 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382876161394 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847681686304 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460113919857 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125195355992 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107633063429 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414539639322 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634805351842 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098183746356 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341833856041 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900666344896 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889557766171 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222296475303 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807315119314 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539325867029 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361444676808 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950705668873 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237711094804 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.00060943528135768 (0.83148% change) large trace change predicted (3.28751%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510758235764 (3.33379% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959926328641 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237136369151 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368852598585 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860345540375 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781408502864 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279160634426 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000562401753440582 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784873196465 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077447160486 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587367968293207 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444822600169 (0.0344255% change) large trace change predicted (0.0980601%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974496586074 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604257531709 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550060506588 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005572367068811221 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649067894762 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155397419369 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214361062283 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746041428932 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475251490131 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565338333275 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759572209267 (0.0686013% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580205542874 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184588816557 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000554082736280887 (0.00644695% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598592354416 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509588129941 (0.0016067% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429254436012 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212457364587 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687439932844 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545211433081 (0.00256841% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775773464506 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699660741084 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005536095366249503 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000553607371353823 (0.00039112% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521251509467 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500065698937 (0.000382725% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377419750228 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000553537118418105 (0.000112649% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205612298634 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202653339104 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147247990519 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144175622872 (5.55065e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086196230836 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083215648867 (5.38489e-05% change) large trace change predicted (0.00126844%) linmin: converged after 2 iterations. iteration 121: trace = 0.000553501300606613 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011944199211 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988068541548 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985640390089 (4.38691e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946117593462 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945788373303 (5.94803e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932144790149 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000553493126824452 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923783125213 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923348362062 (7.85491e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922186141838 (2.09979e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922027679995 (2.86295e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919787108443 (4.04806e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919610224172 (3.19579e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005534918303092458 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918202303496 (1.82097e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916946538004 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916896900589 (8.96805e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 1.0508711338043213 total elapsed time for run: 1.064584493637085 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013569831848144531 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801897 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086751 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201346 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595885 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404162249 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242481 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221225433 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873940006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363939102 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679843291 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857834297 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909951857 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081024 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169335017 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210192853 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918544907 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876776977 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430853529 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527400207 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899338552 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728505118 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908926678575 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816131881 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653190542 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014302274 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826770492 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583200286 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976228637 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.00183491999308899 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476535552 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286608148 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538428941 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074264647 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884082528 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316139796 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805753894 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709349359 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433413492 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949680086 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450403025 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725929 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752137928 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329531078 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773000743 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032745522 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371585446 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945075489 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811161043 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942066173 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983672058 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021840346 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271363829 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295426494 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060879867 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493596302 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989267484 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288712823 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152122852 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190659303 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317512 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268576874 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719572 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120200316 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505723289 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776719334 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835025049 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576482049 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627508101 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169669 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731408244 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544210216 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801536223 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597475011 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392829 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885221668 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234875802 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060928142 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786971523 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947011478 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450896 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192017575 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448488 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663225 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397363912 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.00054797277156531 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960758408 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120759 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290829545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.000546288115884633 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310624986 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838057 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751035619 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753853 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567934 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016689 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603179 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648254 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014303 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539581085 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689692 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246065 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574044 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166836 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492653 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659921 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688601906758 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078505 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406215 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338397 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121645 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511469 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042785 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764095 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447147 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696185 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158403 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543582699829404 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367057 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348219 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932601 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677432 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254499 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590561 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755401 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.3339262008666992 total elapsed time for run: 1.3476383686065674 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.013219833374023438 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801897 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086751 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201346 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595885 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404162249 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242481 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221225433 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873940006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363939102 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679843291 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857834297 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909951857 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081024 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169335017 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210192853 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918544907 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00436809876776977 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430853529 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527400207 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899338552 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728505118 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908926678575 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816131881 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653190542 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014302274 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826770492 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583200286 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976228637 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.00183491999308899 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476535552 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286608148 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538428941 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074264647 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884082528 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316139796 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805753894 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709349359 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433413492 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949680086 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450403025 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725929 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752137928 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329531078 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773000743 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032745522 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371585446 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945075489 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811161043 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942066173 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983672058 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021840346 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271363829 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295426494 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060879867 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493596302 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989267484 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288712823 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152122852 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190659303 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317512 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268576874 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719572 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120200316 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505723289 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776719334 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835025049 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576482049 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627508101 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169669 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731408244 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544210216 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801536223 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597475011 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392829 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885221668 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234875802 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060928142 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786971523 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947011478 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450896 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192017575 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448488 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663225 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397363912 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.00054797277156531 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960758408 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120759 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290829545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.000546288115884633 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310624986 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838057 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751035619 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753853 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567934 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016689 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603179 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648254 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014303 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539581085 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689692 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246065 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574044 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166836 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492653 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659921 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688601906758 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078505 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406215 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338397 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907121645 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511469 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042785 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764095 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447147 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696185 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158403 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543582699829404 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367057 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348219 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932601 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677432 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254499 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590561 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755401 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 1.3716113567352295 total elapsed time for run: 1.384972095489502 done /tmp/meepFBAM2J/test_point_defect_state-0: 97.96s /tmp/meepFBAM2J/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002454042434692383 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.38735079765319824 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4666123390197754 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09358525276184082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2667827606201172 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.17325901985168457 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2697150707244873 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3469357490539551 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.17357802391052246 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2937595844268799 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.27431583404541016 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) elapsed time for k point: 0.11298775672912598 Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06621050834655762 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.21835851669311523 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10414838790893555 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15735936164855957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.4990701675415039 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 4.724714040756226 done /tmp/meepFBAM2J/test_poynting-0: 4.73s /tmp/meepFBAM2J/test_resolution-0 ======================== /tmp/meepFBAM2J/test_resolution-0: 0.00s /tmp/meepFBAM2J/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001630544662475586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.28625965118408203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0119752883911133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.17435193061828613 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08681106567382812 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10111713409423828 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.25530457496643066 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.16813087463378906 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.20375823974609375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08660674095153809 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.24365687370300293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.16144800186157227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0656886100769043 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07605242729187012 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24447131156921387 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1218271255493164 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.26975131034851074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.5602636337280273 done /tmp/meepFBAM2J/test_run_te-0: 3.56s /tmp/meepFBAM2J/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011518001556396484 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787519 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652676 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.0000012998729 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.1434781551361084 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.11627006530761719 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.006063938140869141 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.13104677200317383 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.006005048751831055 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.0060122013092041016 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707306 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.009534120559692383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995197106 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.00953817367553711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182261743 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149831233 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121560705 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.7201429283311 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849368 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415468 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.030397653579711914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.005991935729980469 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.005997180938720703 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896792296 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779076751 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660546839 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541192927 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421005224 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529299973778 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178088465 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.0452905533899 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931714884 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807205499 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681799998 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555487364 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428256385 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300095649 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528170993553 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528040938279 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909917806 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777919899 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644932098 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527510941722 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527375935867 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239901385 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102824892 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964692765 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825491118 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685205817 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543822464 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401326389 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.0452625770265 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526112936021 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967010993 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819911753 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671622196 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522125898 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371406129 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219445831 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066227611 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.0452491173374 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524755946137 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598846375 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440415653 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280634799 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119484263 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523956944066 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523792993891 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627612987 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460780173 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292473847 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.0452312267196 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951352007 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778491029 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604065592 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428051769 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250425144 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071160789 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890233255 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707616558 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523284169 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337208992 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149363372 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959719053 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768247186 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520574918305 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379702311 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182568464 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983485366 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782420939 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579342418 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374216338 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566223641 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022959879 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326728942 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412891847 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366815351 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704638 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343343 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.41958022117614746 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.0060117244720458984 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.005996227264404297 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.0060198307037353516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.0047147274017333984 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901187 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010296 at Vector3<0.0, 0.0, 0.0> to 1.581138830084637 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.9145171642303467 done /tmp/meepFBAM2J/test_run_te_no_geometry-0: 0.92s /tmp/meepFBAM2J/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0024056434631347656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807219 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479104 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715982 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546983 (10.5903% change) linmin: converged after 7 iterations. iteration 5: trace = 10.73396991772579 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619623333 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976064852251 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990942053468 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260229500352 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373992737995 (3.34467% change) linmin: converged after 9 iterations. iteration 11: trace = 8.106938037463252 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014338689118 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044025288115 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221801916152 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401183182603 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380388730299 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279634982483 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129536000221192 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299384768596 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880917273189 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009129702122 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249899502796 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639031239558 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094425064427 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.961290671290445 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090597273195 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594436143475 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427077724179 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335631485183 (0.0589768% change) linmin: converged after 3 iterations. iteration 30: trace = 6.931440745256259 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493559852733 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575580355971 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.92195609265993 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902276354948 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942477778 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294697111187 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713264987 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952566331 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971371119 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744471127827 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.91409594331793 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656441302 (0.00850888% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239353786 (0.00634166% change) linmin: converged after 5 iterations. iteration 44: trace = 6.912734881148703 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643163091 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917482922 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830685809 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698772161 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335357746 (0.00661773% change) linmin: converged after 3 iterations. iteration 50: trace = 6.910392908075353 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294350785 (0.00728804% change) linmin: converged after 7 iterations. iteration 52: trace = 6.909402304212081 (0.00704798% change) linmin: converged after 6 iterations. iteration 53: trace = 6.908895116624727 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.90819191278331 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883123861 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217483654 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772690385 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583539254 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626572432 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191893147 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.89919066188786 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.897351295010338 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666671 (0.0286374% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251486704 (0.0215255% change) linmin: converged after 6 iterations. iteration 65: trace = 6.892335264246674 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058237673 (0.0229877% change) linmin: converged after 5 iterations. iteration 67: trace = 6.889435731225642 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124774062351 (0.0190303% change) linmin: converged after 6 iterations. iteration 69: trace = 6.886910011604837 (0.0176372% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233800281 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388966271 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095114696525 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.87994659843678 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316462705576 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537082326417 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914174675023 (0.00905623% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949956274 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996383308235 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000382662 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381697677 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208231382 (0.0165597% change) linmin: converged after 8 iterations. iteration 82: trace = 6.870977203084404 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687860115962 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477621416901 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565171623574 (0.0132874% change) linmin: converged after 4 iterations. iteration 86: trace = 6.865179370193868 (0.0201839% change) linmin: converged after 7 iterations. iteration 87: trace = 6.862623640204431 (0.0372344% change) linmin: converged after 5 iterations. iteration 88: trace = 6.861124924851314 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.860204110400439 (0.0134217% change) linmin: converged after 4 iterations. iteration 90: trace = 6.85899593823528 (0.0176129% change) linmin: converged after 6 iterations. iteration 91: trace = 6.858118223272071 (0.0127974% change) linmin: converged after 5 iterations. iteration 92: trace = 6.857128033211874 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784894431 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889090109 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.85577583346009 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309319313 (0.00368345% change) linmin: converged after 6 iterations. iteration 97: trace = 6.855274952922894 (0.00362279% change) linmin: converged after 4 iterations. iteration 98: trace = 6.85516080596084 (0.00166511% change) linmin: converged after 5 iterations. iteration 99: trace = 6.855076132958161 (0.00123518% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019040844 (0.00179597% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094665997 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758810104011 (0.000864863% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951473719 (0.000581476% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880432596 (0.000511635% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854645200690635 (0.000564284% change) linmin: converged after 7 iterations. iteration 106: trace = 6.854612595121025 (0.000475672% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016593008 (0.000416925% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271381482 (0.000433947% change) linmin: converged after 4 iterations. iteration 109: trace = 6.854529731098175 (0.000358015% change) linmin: converged after 3 iterations. iteration 110: trace = 6.85451032617816 (0.000283097% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854489441006676 (0.000304693% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472900205786 (0.000241314% change) linmin: converged after 3 iterations. iteration 113: trace = 6.85445619599157 (0.000243698% change) linmin: converged after 3 iterations. iteration 114: trace = 6.854435502532668 (0.000301898% change) linmin: converged after 3 iterations. iteration 115: trace = 6.854411317543918 (0.000352838% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399036010832 (0.000179177% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110525098 (0.000115703% change) large trace change predicted (0.000265242%) linmin: converged after 5 iterations. iteration 118: trace = 6.854372905680224 (0.000265517% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854352891836047 (0.000291987% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355911622 (0.000136158% change) linmin: converged after 5 iterations. iteration 121: trace = 6.85433805076562 (8.0363e-05% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854333109670031 (7.20872e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854329720452945 (4.94464e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963823953 (4.02173e-05% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854323815981874 (4.59249e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854320653827818 (4.61337e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 6.854318503350898 (3.1374e-05% change) linmin: converged after 8 iterations. iteration 128: trace = 6.85431648174432 (2.94939e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496843916 (2.20781e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314300000098 (9.75209e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678998223 (9.06001e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854312884215395 (1.15954e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 6.854311865523803 (1.48621e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.854311298648694 (8.27034e-06% change) linmin: converged after 5 iterations. iteration 135: trace = 6.854310824373635 (6.91937e-06% change) linmin: converged after 8 iterations. iteration 136: trace = 6.854310167549999 (9.58264e-06% change) linmin: converged after 5 iterations. iteration 137: trace = 6.854309289983799 (1.28031e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657384959 (9.22921e-06% change) linmin: converged after 4 iterations. iteration 139: trace = 6.854307924095668 (1.06982e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.85430741795753 (7.38423e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969999267 (6.53543e-06% change) linmin: converged after 6 iterations. iteration 142: trace = 6.854306474746234 (7.22543e-06% change) linmin: converged after 4 iterations. iteration 143: trace = 6.854306058686805 (6.07004e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757018995 (4.40114e-06% change) linmin: converged after 6 iterations. iteration 145: trace = 6.854305444789216 (4.55524e-06% change) linmin: converged after 6 iterations. iteration 146: trace = 6.854304890348724 (8.08894e-06% change) linmin: converged after 5 iterations. iteration 147: trace = 6.854304491618008 (5.81723e-06% change) linmin: converged after 6 iterations. iteration 148: trace = 6.854304291611362 (2.91797e-06% change) linmin: converged after 7 iterations. iteration 149: trace = 6.85430406097317 (3.36487e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303701030546 (5.25134e-06% change) linmin: converged after 9 iterations. iteration 151: trace = 6.854303402250228 (4.35902e-06% change) linmin: converged after 4 iterations. iteration 152: trace = 6.854303138147559 (3.85309e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877354657 (3.80481e-06% change) linmin: converged after 8 iterations. iteration 154: trace = 6.854302639862343 (3.46486e-06% change) linmin: converged after 10 iterations. iteration 155: trace = 6.854302422638009 (3.16917e-06% change) linmin: converged after 5 iterations. iteration 156: trace = 6.85430226035828 (2.36756e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.85430202299859 (3.46293e-06% change) linmin: converged after 6 iterations. iteration 158: trace = 6.854301803084193 (3.20841e-06% change) linmin: converged after 21 iterations. iteration 159: trace = 6.854301557949087 (3.57637e-06% change) linmin: converged after 13 iterations. iteration 160: trace = 6.854301404120981 (2.24426e-06% change) linmin: converged after 6 iterations. iteration 161: trace = 6.854301308364163 (1.39703e-06% change) linmin: converged after 5 iterations. iteration 162: trace = 6.854301245803399 (9.12723e-07% change) linmin: converged after 6 iterations. iteration 163: trace = 6.854301157786383 (1.28411e-06% change) linmin: converged after 9 iterations. iteration 164: trace = 6.854301069008716 (1.29521e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009962249 (8.61451e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969712035 (5.87226e-07% change) linmin: converged after 10 iterations. iteration 167: trace = 6.854300948093899 (3.15395e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932079138 (2.33645e-07% change) linmin: converged after 8 iterations. iteration 169: trace = 6.854300911085044 (3.06291e-07% change) linmin: converged after 5 iterations. iteration 170: trace = 6.854300891898116 (2.79925e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881316067 (1.54386e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873074544 (1.20239e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 6.854300860998613 (1.7618e-07% change) linmin: converged after 9 iterations. iteration 174: trace = 6.854300852081605 (1.30094e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842756837 (1.36043e-07% change) linmin: converged after 4 iterations. iteration 176: trace = 6.854300830319976 (1.81446e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822658853 (1.11771e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817999977 (6.79701e-08% change) linmin: converged after 6 iterations. iteration 179: trace = 6.854300813566252 (6.46853e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808265787 (7.73305e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.85430080189012 (9.3017e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 6.854300795458916 (9.38273e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 6.854300791299546 (6.06826e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 6.854300788181162 (4.54953e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785346512 (4.13558e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781059477 (6.25452e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.85430077849625 (3.73959e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 6.854300777083773 (2.06072e-08% change) linmin: converged after 5 iterations. iteration 189: trace = 6.854300775839437 (1.81541e-08% change) linmin: converged after 4 iterations. iteration 190: trace = 6.854300774397618 (2.10352e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773195782 (1.7534e-08% change) linmin: converged after 10 iterations. iteration 192: trace = 6.854300772733366 (6.74637e-09% change) linmin: converged after 5 iterations. iteration 193: trace = 6.854300772377667 (5.18942e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771834831 (7.91964e-09% change) linmin: converged after 4 iterations. iteration 195: trace = 6.854300771439799 (5.76327e-09% change) linmin: converged after 8 iterations. iteration 196: trace = 6.854300771270411 (2.47127e-09% change) linmin: converged after 15 iterations. iteration 197: trace = 6.854300771195954 (1.08629e-09% change) linmin: converged after 5 iterations. iteration 198: trace = 6.85430077114026 (8.1253e-10% change) linmin: converged after 6 iterations. iteration 199: trace = 6.854300771070988 (1.01064e-09% change) linmin: converged after 6 iterations. iteration 200: trace = 6.854300771010828 (8.77695e-10% change) linmin: converged after 5 iterations. iteration 201: trace = 6.854300770988376 (3.27565e-10% change) linmin: converged after 3 iterations. iteration 202: trace = 6.85430077097574 (1.8434e-10% change) linmin: converged after 5 iterations. iteration 203: trace = 6.854300770964803 (1.59564e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.8770885467529297 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537458770543 (11.2703% change) linmin: converged after 9 iterations. iteration 2: trace = 7.003247357231354 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 12 iterations. iteration 3: trace = 6.975139323720075 (0.402164% change) linmin: converged after 6 iterations. iteration 4: trace = 6.971270249796364 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746709176 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392871869965 (0.329376% change) linmin: converged after 7 iterations. iteration 7: trace = 6.931992241213145 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331502758634 (0.211718% change) linmin: converged after 5 iterations. iteration 9: trace = 6.902037334308378 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451972369 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872059050643 (0.0303758% change) large trace change predicted (0.158392%) linmin: converged after 16 iterations. iteration 12: trace = 6.888130422086455 (0.153627% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392672096422 (0.0397538% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023933438058 (0.0634695% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.851222975463971 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570430815456 (0.0387239% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532529449004 (0.029761% change) large trace change predicted (0.118503%) linmin: converged after 5 iterations. iteration 18: trace = 6.838958713011278 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261213899658 (0.0101994% change) large trace change predicted (0.0363605%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756717892115 (0.0366315% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373294781 (0.0615827% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144950362522 (0.00590547% change) large trace change predicted (0.0574304%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114320193621 (0.0590211% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314254045346 (0.0556769% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904148454289 (0.00601054% change) large trace change predicted (0.0472522%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507846213498 (0.0497903% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042496114999 (0.0214899% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386908592947 (0.00961594% change) large trace change predicted (0.0746118%) linmin: converged after 5 iterations. iteration 29: trace = 6.811801979469831 (0.0819554% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011809866311 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751566516852 (0.0185047% change) large trace change predicted (0.0614978%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453215230848 (0.0631405% change) linmin: converged after 3 iterations. iteration 33: trace = 6.805025641051587 (0.00628301% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.802964560161085 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346849465774 (0.0384864% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157588018116 (0.00278315% change) large trace change predicted (0.0152533%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129591064455 (0.0151184% change) linmin: converged after 3 iterations. iteration 38: trace = 6.797753748529395 (0.0202376% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626611652197 (0.0018703% change) large trace change predicted (0.00964375%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985848418216 (0.00942672% change) linmin: converged after 4 iterations. iteration 41: trace = 6.796346974237312 (0.00939982% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284306755298 (0.00092208% change) large trace change predicted (0.00629695%) linmin: converged after 4 iterations. iteration 43: trace = 6.795867526962835 (0.00613265% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406396346936 (0.00678569% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367588222659 (0.000571095% change) large trace change predicted (0.00284232%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177118671837 (0.00280297% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940917809682 (0.00347607% change) linmin: converged after 5 iterations. iteration 48: trace = 6.794907135235329 (0.000497174% change) large trace change predicted (0.00433788%) linmin: converged after 4 iterations. iteration 49: trace = 6.79461593008832 (0.00428573% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255732232035 (0.00530137% change) linmin: converged after 6 iterations. iteration 51: trace = 6.794217399161713 (0.0005642% change) large trace change predicted (0.00335304%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991211603265 (0.00332917% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728115043741 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694256794119 (0.000498376% change) large trace change predicted (0.00365895%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263012027 (0.00365042% change) linmin: converged after 4 iterations. iteration 56: trace = 6.79319685158562 (0.00367142% change) linmin: converged after 9 iterations. iteration 57: trace = 6.793167321985417 (0.000434695% change) large trace change predicted (0.00302389%) linmin: converged after 5 iterations. iteration 58: trace = 6.792962144869102 (0.00302039% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383436505 (0.00274937% change) linmin: converged after 4 iterations. iteration 60: trace = 6.792756986167655 (0.000270836% change) large trace change predicted (0.00165708%) linmin: converged after 5 iterations. iteration 61: trace = 6.792644652658681 (0.00165374% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550296052503 (0.00138911% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537663864187 (0.000185971% change) large trace change predicted (0.00160148%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429265012766 (0.00159586% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340576376375 (0.00130571% change) linmin: converged after 16 iterations. iteration 66: trace = 6.792331550527897 (0.000132883% change) large trace change predicted (0.000841255%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274568698177 (0.000838918% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438769073 (0.000546651% change) linmin: converged after 11 iterations. iteration 69: trace = 6.792232609045143 (7.11065e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228297098191 (6.34835e-05% change) large trace change predicted (0.00110164%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153696178212 (0.00109833% change) linmin: converged after 12 iterations. iteration 72: trace = 6.792149583711656 (6.05473e-05% change) large trace change predicted (0.000708861%) linmin: converged after 5 iterations. iteration 73: trace = 6.792101528889144 (0.000707508% change) linmin: converged after 5 iterations. iteration 74: trace = 6.792099860165784 (2.45686e-05% change) large trace change predicted (0.000619125%) linmin: converged after 4 iterations. iteration 75: trace = 6.792057870211257 (0.000618219% change) linmin: converged after 27 iterations. iteration 76: trace = 6.792056167172855 (2.5074e-05% change) large trace change predicted (0.000403867%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028720633257 (0.000404098% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026996687894 (2.53819e-05% change) large trace change predicted (0.000260596%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009276372577 (0.000260899% change) linmin: converged after 4 iterations. iteration 80: trace = 6.792008452394795 (1.21316e-05% change) large trace change predicted (0.000159639%) linmin: converged after 3 iterations. iteration 81: trace = 6.79199759856979 (0.000159803% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904837159 (1.0214e-05% change) large trace change predicted (8.62686e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991042742044 (8.63089e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706015693 (4.9577e-06% change) large trace change predicted (6.51946e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.79198627771271 (6.51989e-05% change) linmin: converged after 4 iterations. iteration 86: trace = 6.791986002491485 (4.05215e-06% change) large trace change predicted (5.28282e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982413729166 (5.28382e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.791981792179875 (9.15122e-06% change) large trace change predicted (5.89448e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977793987513 (5.88664e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 6.791976820418645 (1.43341e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 6.791975633273901 (1.74786e-05% change) linmin: converged after 10 iterations. iteration 92: trace = 6.791973900510644 (2.55119e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 6.79197342735875 (6.96634e-06% change) large trace change predicted (1.82842e-05%) linmin: converged after 3 iterations. iteration 94: trace = 6.79197218562005 (1.82824e-05% change) linmin: converged after 7 iterations. iteration 95: trace = 6.791971554510297 (9.292e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 6.791970944564885 (8.98039e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.79197020424627 (1.08999e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818866197 (5.67405e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.791969226500072 (8.72157e-06% change) linmin: converged after 12 iterations. iteration 100: trace = 6.79196870849545 (7.62672e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 6.791968633626281 (1.10232e-06% change) large trace change predicted (5.10903e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968286614616 (5.10915e-06% change) linmin: converged after 7 iterations. iteration 103: trace = 6.791968271359229 (2.24609e-07% change) large trace change predicted (2.51701e-06%) linmin: converged after 4 iterations. iteration 104: trace = 6.791968100409844 (2.51693e-06% change) linmin: converged after 4 iterations. iteration 105: trace = 6.791968092597848 (1.15018e-07% change) large trace change predicted (2.05412e-06%) linmin: converged after 2 iterations. iteration 106: trace = 6.791967953083027 (2.05411e-06% change) linmin: converged after 7 iterations. iteration 107: trace = 6.791967948031305 (7.43779e-08% change) large trace change predicted (1.46229e-06%) linmin: converged after 7 iterations. iteration 108: trace = 6.791967848710163 (1.46233e-06% change) linmin: converged after 13 iterations. iteration 109: trace = 6.791967845213797 (5.1478e-08% change) large trace change predicted (1.32193e-06%) linmin: converged after 5 iterations. iteration 110: trace = 6.791967755430326 (1.32191e-06% change) linmin: converged after 6 iterations. iteration 111: trace = 6.791967750703794 (6.959e-08% change) large trace change predicted (1.19531e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967669514257 (1.19538e-06% change) linmin: converged after 9 iterations. iteration 113: trace = 6.791967666687638 (4.16171e-08% change) large trace change predicted (7.69574e-07%) linmin: converged after 4 iterations. iteration 114: trace = 6.791967614419717 (7.69555e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.791967611014348 (5.01382e-08% change) large trace change predicted (3.20606e-07%) linmin: converged after 25 iterations. iteration 116: trace = 6.791967589238912 (3.20606e-07% change) linmin: converged after 9 iterations. iteration 117: trace = 6.791967586997452 (3.30016e-08% change) large trace change predicted (2.80841e-07%) linmin: converged after 2 iterations. iteration 118: trace = 6.791967567922804 (2.80841e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206625 (8.62276e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 6.791967551088215 (1.61633e-07% change) linmin: converged after 4 iterations. iteration 121: trace = 6.791967543190053 (1.16287e-07% change) linmin: converged after 17 iterations. iteration 122: trace = 6.791967536851629 (9.33224e-08% change) linmin: converged after 21 iterations. iteration 123: trace = 6.791967524533746 (1.8136e-07% change) linmin: converged after 9 iterations. iteration 124: trace = 6.791967521931811 (3.8309e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.791967517045971 (7.19356e-08% change) linmin: converged after 11 iterations. iteration 126: trace = 6.79196751659859 (6.58691e-09% change) large trace change predicted (5.53959e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.791967512836083 (5.53964e-08% change) linmin: converged after 21 iterations. iteration 128: trace = 6.791967512490546 (5.08743e-09% change) large trace change predicted (3.88715e-08%) linmin: converged after 19 iterations. iteration 129: trace = 6.791967509850352 (3.88723e-08% change) linmin: converged after 4 iterations. iteration 130: trace = 6.791967509709573 (2.07273e-09% change) large trace change predicted (5.20863e-08%) linmin: converged after 20 iterations. iteration 131: trace = 6.791967506171849 (5.20869e-08% change) linmin: converged after 20 iterations. iteration 132: trace = 6.79196750602184 (2.20862e-09% change) large trace change predicted (5.55664e-08%) linmin: converged after 10 iterations. iteration 133: trace = 6.791967502247739 (5.55671e-08% change) linmin: converged after 16 iterations. iteration 134: trace = 6.791967502136398 (1.63931e-09% change) large trace change predicted (2.59003e-08%) linmin: converged after 4 iterations. iteration 135: trace = 6.791967500377262 (2.59002e-08% change) linmin: converged after 30 iterations. iteration 136: trace = 6.791967500303233 (1.08995e-09% change) large trace change predicted (1.49122e-08%) linmin: converged after 2 iterations. iteration 137: trace = 6.791967499290397 (1.49123e-08% change) linmin: converged after 4 iterations. iteration 138: trace = 6.791967499234445 (8.23805e-10% change) large trace change predicted (1.08059e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498500507 (1.0806e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.791967498334164 (2.44912e-09% change) linmin: converged after 30 iterations. iteration 141: trace = 6.791967498254754 (1.16918e-09% change) large trace change predicted (3.81809e-09%) linmin: converged after 9 iterations. iteration 142: trace = 6.79196749799543 (3.81809e-09% change) linmin: converged after 23 iterations. iteration 143: trace = 6.79196749794482 (7.45148e-10% change) large trace change predicted (4.68143e-09%) linmin: converged after 4 iterations. iteration 144: trace = 6.791967497626859 (4.68142e-09% change) linmin: converged after 17 iterations. iteration 145: trace = 6.791967497596886 (4.41306e-10% change) large trace change predicted (6.65759e-09%) linmin: converged after 4 iterations. iteration 146: trace = 6.791967497144714 (6.65745e-09% change) linmin: converged after 15 iterations. iteration 147: trace = 6.791967497128221 (2.42838e-10% change) large trace change predicted (4.64755e-09%) linmin: converged after 13 iterations. iteration 148: trace = 6.791967496812549 (4.64772e-09% change) linmin: converged after 22 iterations. iteration 149: trace = 6.791967496783056 (4.34231e-10% change) large trace change predicted (1.8846e-09%) linmin: converged after 3 iterations. iteration 150: trace = 6.791967496655055 (1.88459e-09% change) linmin: converged after 5 iterations. iteration 151: trace = 6.791967496643834 (1.65213e-10% change) large trace change predicted (1.76711e-09%) linmin: converged after 20 iterations. iteration 152: trace = 6.791967496523808 (1.76717e-09% change) linmin: converged after 6 iterations. iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 1.8223519325256348 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233662613292 (0.0293394% change) large trace change predicted (0.119593%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228730676621 (0.11815% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767888516656562 (0.0493417% change) linmin: converged after 4 iterations. iteration 4: trace = 6.766771631127858 (0.0165041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765535637176449 (0.0182673% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292073661334 (0.00360013% change) large trace change predicted (0.0160506%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215417296434 (0.0159157% change) linmin: converged after 4 iterations. iteration 8: trace = 6.764074531351157 (0.00208283% change) large trace change predicted (0.00881703%) linmin: converged after 4 iterations. iteration 9: trace = 6.76347833436666 (0.00881456% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763113180777198 (0.00539905% change) linmin: converged after 4 iterations. iteration 11: trace = 6.762840562813345 (0.00403103% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762590213357559 (0.00370191% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500265914912 (0.00133008% change) large trace change predicted (0.00531666%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138865384413 (0.00534433% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074386137362 (0.000953538% change) large trace change predicted (0.00413297%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792967852388 (0.0041618% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761638007231685 (0.00229174% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443532342174 (0.00287619% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761354010678641 (0.00132401% change) linmin: converged after 4 iterations. iteration 20: trace = 6.76131176236402 (0.000624852% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229213826009 (0.0012209% change) linmin: converged after 4 iterations. iteration 22: trace = 6.761215114069401 (0.000208539% change) large trace change predicted (0.00158179%) linmin: converged after 3 iterations. iteration 23: trace = 6.761108202603172 (0.00158126% change) linmin: converged after 6 iterations. iteration 24: trace = 6.761091262548052 (0.000250552% change) large trace change predicted (0.00137182%) linmin: converged after 3 iterations. iteration 25: trace = 6.760998500904947 (0.001372% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760977540918202 (0.000310014% change) linmin: converged after 3 iterations. iteration 27: trace = 6.760936818602294 (0.000602316% change) linmin: converged after 3 iterations. iteration 28: trace = 6.760921245870161 (0.000230334% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910140766615 (0.000164254% change) linmin: converged after 4 iterations. iteration 30: trace = 6.760890267409732 (0.000293945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887279606997 (4.41925e-05% change) large trace change predicted (0.000191503%) linmin: converged after 4 iterations. iteration 32: trace = 6.76087432380865 (0.000191629% change) linmin: converged after 5 iterations. iteration 33: trace = 6.760866479924875 (0.000116019% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856609052698 (0.000146% change) linmin: converged after 4 iterations. iteration 35: trace = 6.760848850846902 (0.000114752% change) linmin: converged after 4 iterations. iteration 36: trace = 6.760841846916914 (0.000103595% change) linmin: converged after 5 iterations. iteration 37: trace = 6.760835956037811 (8.71324e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832922137637 (4.48746e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829248087384 (5.43432e-05% change) linmin: converged after 7 iterations. iteration 40: trace = 6.760828391113448 (1.26756e-05% change) large trace change predicted (5.84605e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.760824439385647 (5.84504e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.760823785391183 (9.6733e-06% change) large trace change predicted (5.63834e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760819975198059 (5.6357e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760819020343801 (1.41234e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.760817398079341 (2.39951e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.760816323511408 (1.58941e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.760816115112642 (3.08245e-06% change) large trace change predicted (1.47954e-05%) linmin: converged after 5 iterations. iteration 48: trace = 6.76081511475625 (1.47964e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.760815018399315 (1.42523e-06% change) large trace change predicted (1.20633e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814202728658 (1.20647e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814120506232 (1.21616e-06% change) large trace change predicted (7.45288e-06%) linmin: converged after 3 iterations. iteration 52: trace = 6.760813616582729 (7.45359e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.760813488287585 (1.89763e-06% change) large trace change predicted (5.56532e-06%) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112035367 (5.56519e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 6.760812918398767 (2.8641e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805893701 (1.66408e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.760812646718302 (2.35438e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 6.760812619024847 (4.09617e-07% change) large trace change predicted (1.70591e-06%) linmin: converged after 3 iterations. iteration 59: trace = 6.760812503693161 (1.70588e-06% change) linmin: converged after 14 iterations. iteration 60: trace = 6.760812471727117 (4.72814e-07% change) large trace change predicted (1.43361e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.76081237480401 (1.4336e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.760812349747429 (3.70615e-07% change) linmin: converged after 17 iterations. iteration 63: trace = 6.760812314229788 (5.25346e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812295449118 (2.77787e-07% change) linmin: converged after 20 iterations. iteration 65: trace = 6.760812271116999 (3.59899e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.76081224084399 (4.47772e-07% change) linmin: converged after 16 iterations. iteration 67: trace = 6.760812234776371 (8.97469e-08% change) large trace change predicted (3.74055e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812209486301 (3.74069e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 6.760812207260066 (3.29285e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.760812205380207 (2.78052e-08% change) large trace change predicted (1.24909e-07%) linmin: converged after 4 iterations. iteration 71: trace = 6.760812196935282 (1.2491e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812194740354 (3.24654e-08% change) large trace change predicted (8.68792e-08%) linmin: converged after 13 iterations. iteration 73: trace = 6.760812188866579 (8.68797e-08% change) linmin: converged after 3 iterations. iteration 74: trace = 6.760812184724538 (6.12654e-08% change) linmin: converged after 22 iterations. iteration 75: trace = 6.760812181341919 (5.00327e-08% change) linmin: converged after 19 iterations. iteration 76: trace = 6.760812177223904 (6.09101e-08% change) linmin: converged after 17 iterations. iteration 77: trace = 6.760812174274005 (4.36323e-08% change) large trace change predicted (1.00514e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.760812167478436 (1.00514e-07% change) linmin: converged after 19 iterations. iteration 79: trace = 6.760812165891807 (2.3468e-08% change) large trace change predicted (8.21563e-08%) linmin: converged after 26 iterations. iteration 80: trace = 6.760812160337361 (8.21565e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.76081215907644 (1.86504e-08% change) large trace change predicted (6.15184e-08%) linmin: converged after 7 iterations. iteration 82: trace = 6.760812154917349 (6.15176e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151232336 (5.45055e-08% change) linmin: converged after 17 iterations. iteration 84: trace = 6.760812150102741 (1.6708e-08% change) linmin: converged after 7 iterations. iteration 85: trace = 6.760812149057777 (1.54562e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.760812148328064 (1.07933e-08% change) linmin: converged after 8 iterations. iteration 87: trace = 6.760812147806423 (7.71566e-09% change) linmin: converged after 5 iterations. iteration 88: trace = 6.760812146972909 (1.23286e-08% change) linmin: converged after 18 iterations. iteration 89: trace = 6.760812146792507 (2.66835e-09% change) large trace change predicted (1.05487e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146079321 (1.05488e-08% change) linmin: converged after 4 iterations. iteration 91: trace = 6.76081214588122 (2.93012e-09% change) large trace change predicted (9.16672e-09%) linmin: converged after 4 iterations. iteration 92: trace = 6.760812145261479 (9.16667e-09% change) linmin: converged after 6 iterations. iteration 93: trace = 6.760812144890995 (5.47988e-09% change) linmin: converged after 18 iterations. iteration 94: trace = 6.760812144766787 (1.83718e-09% change) large trace change predicted (3.94247e-09%) linmin: converged after 10 iterations. iteration 95: trace = 6.760812144500255 (3.9423e-09% change) linmin: converged after 21 iterations. iteration 96: trace = 6.760812144457378 (6.34196e-10% change) large trace change predicted (2.12111e-09%) linmin: converged after 8 iterations. iteration 97: trace = 6.76081214431397 (2.12116e-09% change) linmin: converged after 5 iterations. iteration 98: trace = 6.760812144230774 (1.23056e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 6.76081214416757 (9.34866e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.760812144072368 (1.40815e-09% change) linmin: converged after 15 iterations. iteration 101: trace = 6.760812144043551 (4.26235e-10% change) large trace change predicted (1.03597e-09%) linmin: converged after 4 iterations. iteration 102: trace = 6.760812143973515 (1.0359e-09% change) linmin: converged after 6 iterations. iteration 103: trace = 6.760812143964135 (1.38742e-10% change) large trace change predicted (5.84988e-10%) linmin: converged after 2 iterations. iteration 104: trace = 6.760812143924595 (5.84853e-10% change) linmin: converged after 6 iterations. iteration 105: trace = 6.760812143886893 (5.57646e-10% change) linmin: converged after 22 iterations. iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 1.3390302658081055 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819508219988 (0.0683417% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521845247693 (0.0484155% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878728174198 (0.0388226% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531546238578 (0.00510059% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812313465 (0.00988414% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278629640603 (0.00852512% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018729206464 (0.00381917% change) large trace change predicted (0.00764415%) linmin: converged after 4 iterations. iteration 8: trace = 6.80449975807835 (0.00762659% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166040104378 (0.00490449% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208365732 (0.00539143% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143705532 (0.00424867% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404286916172 (0.00155593% change) large trace change predicted (0.00417119%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569359131 (0.00418502% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867686857146 (0.00370252% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805672849434 (0.00091159% change) large trace change predicted (0.0037265%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551008999021 (0.00374358% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508927733024 (0.000618612% change) large trace change predicted (0.00153195%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404655808074 (0.00153286% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520587534 (0.00186899% change) linmin: converged after 4 iterations. iteration 20: trace = 6.802247414972667 (0.000442582% change) large trace change predicted (0.00128702%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763826145 (0.00128857% change) linmin: converged after 3 iterations. iteration 22: trace = 6.802097108498234 (0.000921114% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077230209528 (0.000292238% change) large trace change predicted (0.00072329%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028030225554 (0.000723311% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006232245031 (0.000320463% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991480857499 (0.000216868% change) linmin: converged after 13 iterations. iteration 27: trace = 6.801969336139529 (0.000325563% change) linmin: converged after 5 iterations. iteration 28: trace = 6.801957256082648 (0.000177597% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951800071285 (8.02124e-05% change) large trace change predicted (0.00022194%) linmin: converged after 4 iterations. iteration 30: trace = 6.801936705854001 (0.00022191% change) linmin: converged after 3 iterations. iteration 31: trace = 6.801934035172881 (3.92635e-05% change) large trace change predicted (0.000217614%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919236975676 (0.000217559% change) linmin: converged after 3 iterations. iteration 33: trace = 6.80191452512863 (6.92723e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.801907420469828 (0.000104451% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902690706328 (6.95359e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.801901466978578 (1.7991e-05% change) large trace change predicted (5.37537e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.801897810855744 (5.37515e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895847802752 (2.88604e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985013194 (2.73863e-05% change) linmin: converged after 19 iterations. iteration 40: trace = 6.801891470055961 (3.69744e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 6.80189069006492 (1.14673e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235253484 (2.13883e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888192197239 (1.53348e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.801887967651422 (3.30123e-06% change) large trace change predicted (7.31743e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887469940185 (7.31725e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.801886974159298 (7.28887e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.801886743571457 (3.39006e-06% change) large trace change predicted (1.27356e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.801885877252749 (1.27364e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885687267485 (2.79313e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 6.801885358673595 (4.83092e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885210568678 (2.17741e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 6.801885140350342 (1.03234e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 6.801885017801631 (1.80169e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 6.801884971862796 (6.75384e-07% change) large trace change predicted (1.65889e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884859025914 (1.65891e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.801884765491366 (1.37513e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.801884741932468 (3.46358e-07% change) large trace change predicted (7.34039e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692003786 (7.34042e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 6.80188466050531 (4.63085e-07% change) linmin: converged after 21 iterations. iteration 60: trace = 6.801884645428476 (2.21657e-07% change) linmin: converged after 20 iterations. iteration 61: trace = 6.801884621153685 (3.56883e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 6.80188460993198 (1.64979e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 6.801884594016375 (2.33988e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.801884582177701 (1.7405e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.801884576433165 (8.44551e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.801884566571959 (1.44978e-07% change) linmin: converged after 25 iterations. iteration 67: trace = 6.801884562689891 (5.70734e-08% change) linmin: converged after 3 iterations. iteration 68: trace = 6.801884555497646 (1.05739e-07% change) linmin: converged after 10 iterations. iteration 69: trace = 6.801884548994815 (9.56034e-08% change) resetting CG direction... linmin: converged after 12 iterations. iteration 70: trace = 6.801884547515387 (2.17503e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.801884545360386 (3.16824e-08% change) linmin: converged after 5 iterations. iteration 72: trace = 6.801884544064887 (1.90462e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.801884543138418 (1.36208e-08% change) linmin: converged after 6 iterations. iteration 74: trace = 6.801884541735411 (2.06267e-08% change) linmin: converged after 18 iterations. iteration 75: trace = 6.801884541326608 (6.01014e-09% change) large trace change predicted (1.77761e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540117523 (1.77757e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.801884539500458 (9.07197e-09% change) linmin: converged after 6 iterations. iteration 78: trace = 6.80188453908594 (6.09417e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.801884538426486 (9.69516e-09% change) linmin: converged after 10 iterations. iteration 80: trace = 6.801884538218956 (3.05107e-09% change) large trace change predicted (9.80955e-09%) linmin: converged after 21 iterations. iteration 81: trace = 6.801884537551715 (9.80965e-09% change) linmin: converged after 6 iterations. iteration 82: trace = 6.801884537139951 (6.05366e-09% change) linmin: converged after 26 iterations. iteration 83: trace = 6.801884536942101 (2.90876e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 6.801884536586122 (5.23353e-09% change) linmin: converged after 20 iterations. iteration 85: trace = 6.801884536357644 (3.35905e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536233658 (1.82282e-09% change) linmin: converged after 26 iterations. iteration 87: trace = 6.801884536108722 (1.83678e-09% change) linmin: converged after 16 iterations. iteration 88: trace = 6.801884536055081 (7.88614e-10% change) large trace change predicted (1.79266e-09%) linmin: converged after 6 iterations. iteration 89: trace = 6.801884535933144 (1.7927e-09% change) linmin: converged after 24 iterations. iteration 90: trace = 6.801884535899444 (4.95453e-10% change) large trace change predicted (1.23487e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.801884535815449 (1.23488e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.801884535773334 (6.19163e-10% change) linmin: converged after 15 iterations. iteration 93: trace = 6.801884535753365 (2.93592e-10% change) linmin: converged after 9 iterations. iteration 94: trace = 6.801884535731968 (3.14563e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.801884535713657 (2.69213e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.801884535706489 (1.05377e-10% change) large trace change predicted (2.25567e-10%) linmin: converged after 4 iterations. iteration 97: trace = 6.801884535691138 (2.25692e-10% change) linmin: converged after 15 iterations. iteration 98: trace = 6.801884535674619 (2.42863e-10% change) linmin: converged after 2 iterations. iteration 99: trace = 6.801884535667632 (1.02713e-10% change) large trace change predicted (2.20302e-10%) linmin: converged after 8 iterations. iteration 100: trace = 6.801884535652651 (2.20246e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.6153922080993652 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925881798292199 (0.0869816% change) linmin: converged after 3 iterations. iteration 2: trace = 6.9229225259514 (0.0427369% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648508630198 (0.032853% change) linmin: converged after 4 iterations. iteration 4: trace = 6.919688694130618 (0.0138698% change) linmin: converged after 4 iterations. iteration 5: trace = 6.9192786056375 (0.00592658% change) large trace change predicted (0.0145666%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274799994855 (0.0145084% change) linmin: converged after 4 iterations. iteration 7: trace = 6.91757301330911 (0.0101445% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717042170276 (0.00582001% change) linmin: converged after 3 iterations. iteration 9: trace = 6.916380858719524 (0.0114152% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938475163338 (0.00639638% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627887978417 (0.00449099% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595538192 (0.00824677% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570526779777 (0.00704384% change) linmin: converged after 3 iterations. iteration 14: trace = 6.91442336897636 (0.00212825% change) large trace change predicted (0.00433627%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122171751801 (0.00435617% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960746784396 (0.00233474% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682758315103 (0.00402076% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569624543927 (0.00163639% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334352257579 (0.00327046% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913263031312358 (0.0011643% change) linmin: converged after 15 iterations. iteration 21: trace = 6.913199861543292 (0.000913752% change) linmin: converged after 3 iterations. iteration 22: trace = 6.913142044518144 (0.000836331% change) linmin: converged after 6 iterations. iteration 23: trace = 6.913116163816769 (0.00037437% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090515482353 (0.00037101% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913046805634677 (0.000632279% change) linmin: converged after 3 iterations. iteration 26: trace = 6.913020774091535 (0.000376557% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001674697812 (0.000276282% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976749113279 (0.000360562% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912971244996962 (7.96201e-05% change) large trace change predicted (0.000181474%) linmin: converged after 3 iterations. iteration 30: trace = 6.912958702065374 (0.000181441% change) linmin: converged after 15 iterations. iteration 31: trace = 6.912946620631539 (0.000174765% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912941200300708 (7.84084e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933462689976 (0.000111929% change) linmin: converged after 12 iterations. iteration 34: trace = 6.912927788569319 (8.20798e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.912925543877318 (3.24709e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923366452396 (3.14979e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920253757397 (4.50272e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.91291918583872 (1.54482e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.91291752131117 (2.40785e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.91291631802408 (1.74064e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915796698972 (7.54132e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 6.912915208180214 (8.51332e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914546415715 (9.57287e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914250440259 (4.28149e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913754122829 (7.17957e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.912913166100848 (8.50614e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.912912879055559 (4.15231e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.912912672755615 (2.98427e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.91291252359359 (2.15773e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912437158742 (1.25034e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.912912301843973 (1.95742e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.912912141120616 (2.32497e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912094963387 (6.67696e-07% change) large trace change predicted (1.37508e-06%) linmin: converged after 4 iterations. iteration 54: trace = 6.912911999899769 (1.37516e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.912911938686116 (8.85497e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 6.912911893521379 (6.53339e-07% change) linmin: converged after 6 iterations. iteration 57: trace = 6.912911841729086 (7.49211e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 6.912911791218241 (7.30674e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.912911779594948 (1.68139e-07% change) large trace change predicted (3.68251e-07%) linmin: converged after 2 iterations. iteration 60: trace = 6.912911754138028 (3.68252e-07% change) linmin: converged after 16 iterations. iteration 61: trace = 6.91291173524443 (2.73309e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.912911721998706 (1.91608e-07% change) large trace change predicted (4.53468e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911690652783 (4.5344e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 6.912911672612801 (2.60961e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 6.912911664103595 (1.23092e-07% change) linmin: converged after 20 iterations. iteration 66: trace = 6.912911654714987 (1.35813e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.912911645869683 (1.27953e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.912911641485165 (6.34251e-08% change) large trace change predicted (1.86099e-07%) linmin: converged after 16 iterations. iteration 69: trace = 6.912911628620017 (1.86103e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.912911623609482 (7.24808e-08% change) linmin: converged after 16 iterations. iteration 71: trace = 6.912911619950242 (5.29334e-08% change) linmin: converged after 18 iterations. iteration 72: trace = 6.912911615014117 (7.14044e-08% change) linmin: converged after 3 iterations. iteration 73: trace = 6.912911609923537 (7.36387e-08% change) linmin: converged after 13 iterations. iteration 74: trace = 6.912911600448374 (1.37065e-07% change) large trace change predicted (7.005e-07%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911552014634 (7.00627e-07% change) large trace change predicted (3.26976e-06%) linmin: converged after 4 iterations. iteration 76: trace = 6.912911324882718 (3.28562e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 77: trace = 6.909407411940434 (0.0506994% change) linmin: converged after 14 iterations. iteration 78: trace = 6.909407303259766 (1.57294e-06% change) linmin: converged after 5 iterations. iteration 79: trace = 6.909407194879683 (1.56859e-06% change) linmin: converged after 6 iterations. iteration 80: trace = 6.909407086803446 (1.56419e-06% change) linmin: converged after 6 iterations. iteration 81: trace = 6.909406979027686 (1.55984e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.909406871560214 (1.55538e-06% change) linmin: converged after 6 iterations. iteration 83: trace = 6.909406764399476 (1.55094e-06% change) linmin: converged after 6 iterations. iteration 84: trace = 6.909406657546903 (1.54648e-06% change) linmin: converged after 6 iterations. iteration 85: trace = 6.909406551003777 (1.542e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.909406444771263 (1.53751e-06% change) linmin: converged after 6 iterations. iteration 87: trace = 6.909406338847629 (1.53304e-06% change) linmin: converged after 20 iterations. iteration 88: trace = 6.909406233236654 (1.52851e-06% change) linmin: converged after 14 iterations. iteration 89: trace = 6.909406127939251 (1.52397e-06% change) linmin: converged after 7 iterations. iteration 90: trace = 6.909406022958676 (1.51939e-06% change) linmin: converged after 15 iterations. iteration 91: trace = 6.909405918293174 (1.51483e-06% change) linmin: converged after 14 iterations. iteration 92: trace = 6.909405813941406 (1.51029e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909405709907355 (1.50569e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909405606189644 (1.50111e-06% change) linmin: converged after 19 iterations. iteration 95: trace = 6.909405502788598 (1.49653e-06% change) linmin: converged after 15 iterations. iteration 96: trace = 6.90940539970425 (1.49194e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.90940529693715 (1.48735e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 6.909405194487154 (1.48276e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 6.909405092353508 (1.47818e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.909404990537729 (1.47358e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 6.909404889038919 (1.46899e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.909404787856076 (1.46442e-06% change) linmin: converged after 11 iterations. iteration 103: trace = 6.909404686990555 (1.45983e-06% change) linmin: converged after 8 iterations. iteration 104: trace = 6.909404586441252 (1.45525e-06% change) linmin: converged after 8 iterations. iteration 105: trace = 6.909404486205638 (1.45071e-06% change) linmin: converged after 7 iterations. iteration 106: trace = 6.90940438628765 (1.44612e-06% change) linmin: converged after 8 iterations. iteration 107: trace = 6.909404286684655 (1.44156e-06% change) linmin: converged after 14 iterations. iteration 108: trace = 6.909404187394779 (1.43703e-06% change) linmin: converged after 8 iterations. iteration 109: trace = 6.909404088420219 (1.43246e-06% change) linmin: converged after 8 iterations. iteration 110: trace = 6.9094039897583 (1.42794e-06% change) linmin: converged after 8 iterations. iteration 111: trace = 6.909403891408473 (1.42342e-06% change) linmin: converged after 9 iterations. iteration 112: trace = 6.909403793371282 (1.4189e-06% change) linmin: converged after 7 iterations. iteration 113: trace = 6.909403695644156 (1.41441e-06% change) linmin: converged after 11 iterations. iteration 114: trace = 6.909403598229497 (1.40989e-06% change) linmin: converged after 15 iterations. iteration 115: trace = 6.909403501123285 (1.40542e-06% change) linmin: converged after 8 iterations. iteration 116: trace = 6.909403404325506 (1.40096e-06% change) linmin: converged after 6 iterations. iteration 117: trace = 6.909403307835841 (1.3965e-06% change) linmin: converged after 6 iterations. iteration 118: trace = 6.909403211655174 (1.39203e-06% change) linmin: converged after 5 iterations. iteration 119: trace = 6.909403115779074 (1.38762e-06% change) linmin: converged after 19 iterations. iteration 120: trace = 6.90940302021008 (1.38317e-06% change) linmin: converged after 15 iterations. iteration 121: trace = 6.909402924943801 (1.37879e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.90940282998096 (1.3744e-06% change) linmin: converged after 11 iterations. iteration 123: trace = 6.909402735322186 (1.37e-06% change) linmin: converged after 8 iterations. iteration 124: trace = 6.909402640963187 (1.36566e-06% change) linmin: converged after 19 iterations. iteration 125: trace = 6.909402546904536 (1.36131e-06% change) linmin: converged after 10 iterations. iteration 126: trace = 6.909402453145184 (1.35698e-06% change) linmin: converged after 7 iterations. iteration 127: trace = 6.909402359684876 (1.35265e-06% change) linmin: converged after 8 iterations. iteration 128: trace = 6.909402266520806 (1.34837e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.909402173653994 (1.34406e-06% change) linmin: converged after 15 iterations. iteration 130: trace = 6.909402081082199 (1.33979e-06% change) linmin: converged after 10 iterations. iteration 131: trace = 6.909401988802639 (1.33557e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.909401896816838 (1.33131e-06% change) linmin: converged after 10 iterations. iteration 133: trace = 6.909401805122543 (1.32709e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 6.909401713717047 (1.32291e-06% change) linmin: converged after 12 iterations. iteration 135: trace = 6.909401622601867 (1.31871e-06% change) linmin: converged after 7 iterations. iteration 136: trace = 6.909401531773128 (1.31457e-06% change) linmin: converged after 11 iterations. iteration 137: trace = 6.909401441232235 (1.3104e-06% change) linmin: converged after 18 iterations. iteration 138: trace = 6.909401350976032 (1.30628e-06% change) linmin: converged after 5 iterations. iteration 139: trace = 6.909401261003318 (1.30218e-06% change) resetting CG direction... large trace change predicted (0.111831%) linmin: converged after 4 iterations. iteration 140: trace = 6.901922701401765 (0.108296% change) linmin: converged after 4 iterations. iteration 141: trace = 6.889246761849792 (0.183827% change) linmin: converged after 4 iterations. iteration 142: trace = 6.879314220704985 (0.144279% change) linmin: converged after 4 iterations. iteration 143: trace = 6.871993578724105 (0.106472% change) linmin: converged after 4 iterations. iteration 144: trace = 6.85905677008803 (0.188431% change) linmin: converged after 4 iterations. iteration 145: trace = 6.846561881925398 (0.182332% change) linmin: converged after 4 iterations. iteration 146: trace = 6.837774882420545 (0.128424% change) large trace change predicted (0.261264%) linmin: converged after 5 iterations. iteration 147: trace = 6.82038659448041 (0.254621% change) linmin: converged after 4 iterations. iteration 148: trace = 6.811549309755332 (0.129656% change) linmin: converged after 4 iterations. iteration 149: trace = 6.803010641167304 (0.125434% change) linmin: converged after 3 iterations. iteration 150: trace = 6.795772549221677 (0.106452% change) linmin: converged after 4 iterations. iteration 151: trace = 6.786305906325278 (0.139399% change) linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. iteration 153: trace = 6.762501080820078 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. iteration 155: trace = 6.743925282478449 (0.136994% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736994478099859 (0.102824% change) linmin: converged after 4 iterations. iteration 157: trace = 6.732878238745256 (0.0611177% change) linmin: converged after 4 iterations. iteration 158: trace = 6.726657933453789 (0.0924297% change) linmin: converged after 4 iterations. iteration 159: trace = 6.721195120311204 (0.0812444% change) linmin: converged after 3 iterations. iteration 160: trace = 6.717648620160629 (0.0527798% change) linmin: converged after 9 iterations. iteration 161: trace = 6.713194200918354 (0.0663312% change) linmin: converged after 4 iterations. iteration 162: trace = 6.710505504937696 (0.0400589% change) linmin: converged after 3 iterations. iteration 163: trace = 6.706901369151968 (0.0537233% change) linmin: converged after 4 iterations. iteration 164: trace = 6.705010608085182 (0.0281953% change) linmin: converged after 3 iterations. iteration 165: trace = 6.70188765506045 (0.0465873% change) linmin: converged after 3 iterations. iteration 166: trace = 6.700031905898658 (0.0276938% change) linmin: converged after 3 iterations. iteration 167: trace = 6.697510888054483 (0.037634% change) linmin: converged after 4 iterations. iteration 168: trace = 6.695584232456802 (0.0287709% change) linmin: converged after 3 iterations. iteration 169: trace = 6.693804055526829 (0.0265909% change) linmin: converged after 3 iterations. iteration 170: trace = 6.692039962871821 (0.0263576% change) linmin: converged after 4 iterations. iteration 171: trace = 6.690949988840293 (0.0162889% change) linmin: converged after 3 iterations. iteration 172: trace = 6.689021225820898 (0.0288306% change) linmin: converged after 4 iterations. iteration 173: trace = 6.688226203752949 (0.0118862% change) linmin: converged after 3 iterations. iteration 174: trace = 6.687474380827883 (0.0112416% change) linmin: converged after 3 iterations. iteration 175: trace = 6.686715447178671 (0.0113492% change) linmin: converged after 3 iterations. iteration 176: trace = 6.68595816141414 (0.0113259% change) linmin: converged after 3 iterations. iteration 177: trace = 6.68527986567914 (0.0101456% change) linmin: converged after 3 iterations. iteration 178: trace = 6.684926169510021 (0.00529081% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. iteration 179: trace = 6.684160014452743 (0.0114616% change) linmin: converged after 3 iterations. iteration 180: trace = 6.68379530234466 (0.00545651% change) linmin: converged after 3 iterations. iteration 181: trace = 6.683426312215122 (0.00552082% change) linmin: converged after 3 iterations. iteration 182: trace = 6.683087980566226 (0.00506238% change) linmin: converged after 3 iterations. iteration 183: trace = 6.68276361175373 (0.00485369% change) linmin: converged after 3 iterations. iteration 184: trace = 6.682414515266442 (0.00522397% change) linmin: converged after 3 iterations. iteration 185: trace = 6.682218187694787 (0.00293802% change) linmin: converged after 3 iterations. iteration 186: trace = 6.681916581224351 (0.00451367% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681779641167005 (0.00204943% change) linmin: converged after 5 iterations. iteration 188: trace = 6.681606953872663 (0.00258448% change) linmin: converged after 4 iterations. iteration 189: trace = 6.681488504563664 (0.00177278% change) linmin: converged after 3 iterations. iteration 190: trace = 6.681358272366602 (0.00194917% change) linmin: converged after 10 iterations. iteration 191: trace = 6.681230235500497 (0.00191635% change) linmin: converged after 5 iterations. iteration 192: trace = 6.6811288270835 (0.00151782% change) linmin: converged after 4 iterations. iteration 193: trace = 6.680953874347516 (0.00261864% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680873367074792 (0.00120503% change) linmin: converged after 5 iterations. iteration 195: trace = 6.680765390544085 (0.00161622% change) linmin: converged after 9 iterations. iteration 196: trace = 6.680693385129812 (0.00107781% change) linmin: converged after 6 iterations. iteration 197: trace = 6.68062105366074 (0.0010827% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680572671849443 (0.000724214% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680536490133266 (0.000541597% change) linmin: converged after 3 iterations. iteration 200: trace = 6.680481376728336 (0.000824988% change) linmin: converged after 5 iterations. iteration 201: trace = 6.680455500315117 (0.000387344% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680415642440067 (0.000596636% change) linmin: converged after 3 iterations. iteration 203: trace = 6.680384072694054 (0.000472573% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680340624959269 (0.00065038% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680309707236553 (0.000462818% change) linmin: converged after 4 iterations. iteration 206: trace = 6.680284460794091 (0.000377924% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680246429982121 (0.000569301% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680230558103617 (0.000237594% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680212665706824 (0.000267841% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.680199266929479 (0.000200574% change) linmin: converged after 3 iterations. iteration 211: trace = 6.680176329495439 (0.000343365% change) linmin: converged after 3 iterations. iteration 212: trace = 6.680157132337356 (0.000287375% change) linmin: converged after 6 iterations. iteration 213: trace = 6.680148386202022 (0.000130927% change) large trace change predicted (0.000268503%) linmin: converged after 3 iterations. iteration 214: trace = 6.680130453713534 (0.000268445% change) linmin: converged after 3 iterations. iteration 215: trace = 6.680117119837281 (0.000199605% change) linmin: converged after 4 iterations. iteration 216: trace = 6.680111655384402 (8.18018e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.68010507011362 (9.85803e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 6.680099229256731 (8.74366e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680096911351662 (3.46987e-05% change) linmin: converged after 5 iterations. iteration 220: trace = 6.680092842384724 (6.09118e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 6.680089179833528 (5.48279e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680087434377293 (2.61292e-05% change) large trace change predicted (5.58738e-05%) linmin: converged after 3 iterations. iteration 223: trace = 6.680083701568315 (5.58797e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680080072969977 (5.43197e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680078801637671 (1.90317e-05% change) linmin: converged after 7 iterations. iteration 226: trace = 6.680076350837193 (3.66882e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 6.680074690109035 (2.48609e-05% change) linmin: converged after 8 iterations. iteration 228: trace = 6.680073351070969 (2.00453e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 6.68007285452746 (7.4332e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 6.680072090994439 (1.143e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680071248584382 (1.26108e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680070960238667 (4.31651e-06% change) large trace change predicted (1.18534e-05%) linmin: converged after 5 iterations. iteration 233: trace = 6.680070168326894 (1.18548e-05% change) linmin: converged after 19 iterations. iteration 234: trace = 6.68006965411633 (7.69768e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 6.680069400433313 (3.79761e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 6.680069104629979 (4.42815e-06% change) linmin: converged after 4 iterations. iteration 237: trace = 6.680068901432917 (3.04184e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 6.680068816419869 (1.27264e-06% change) linmin: converged after 6 iterations. iteration 239: trace = 6.680068659755051 (2.34526e-06% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068550683506 (1.63279e-06% change) linmin: converged after 14 iterations. iteration 241: trace = 6.680068504970169 (6.84324e-07% change) linmin: converged after 6 iterations. iteration 242: trace = 6.680068425446491 (1.19046e-06% change) linmin: converged after 7 iterations. iteration 243: trace = 6.680068372313352 (7.95398e-07% change) linmin: converged after 4 iterations. iteration 244: trace = 6.680068349511027 (3.41349e-07% change) linmin: converged after 3 iterations. iteration 245: trace = 6.680068316252574 (4.97876e-07% change) linmin: converged after 7 iterations. iteration 246: trace = 6.680068281840759 (5.15142e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.680068263861698 (2.69145e-07% change) linmin: converged after 5 iterations. iteration 248: trace = 6.680068250316288 (2.02774e-07% change) linmin: converged after 7 iterations. iteration 249: trace = 6.680068235011274 (2.29115e-07% change) linmin: converged after 5 iterations. iteration 250: trace = 6.68006821953699 (2.31649e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068209700503 (1.47251e-07% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068201055386 (1.29417e-07% change) linmin: converged after 4 iterations. iteration 253: trace = 6.680068196815148 (6.3476e-08% change) linmin: converged after 4 iterations. iteration 254: trace = 6.68006819428233 (3.7916e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068189733394 (6.80972e-08% change) linmin: converged after 7 iterations. iteration 256: trace = 6.680068185326181 (6.59756e-08% change) linmin: converged after 6 iterations. iteration 257: trace = 6.680068184115238 (1.81277e-08% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068182525833 (2.37932e-08% change) linmin: converged after 7 iterations. iteration 259: trace = 6.680068181099807 (2.13475e-08% change) linmin: converged after 4 iterations. iteration 260: trace = 6.680068180538626 (8.40083e-09% change) linmin: converged after 4 iterations. iteration 261: trace = 6.680068179768131 (1.15342e-08% change) linmin: converged after 4 iterations. iteration 262: trace = 6.680068179150874 (9.24029e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.68006817875833 (5.87634e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068178534971 (3.34367e-09% change) linmin: converged after 22 iterations. iteration 265: trace = 6.680068178135892 (5.97418e-09% change) linmin: converged after 4 iterations. iteration 266: trace = 6.680068178021659 (1.71006e-09% change) large trace change predicted (3.85974e-09%) linmin: converged after 4 iterations. iteration 267: trace = 6.680068177763815 (3.85991e-09% change) linmin: converged after 5 iterations. iteration 268: trace = 6.680068177602221 (2.41904e-09% change) linmin: converged after 9 iterations. iteration 269: trace = 6.680068177493695 (1.62463e-09% change) linmin: converged after 7 iterations. iteration 270: trace = 6.680068177432303 (9.19029e-10% change) linmin: converged after 15 iterations. iteration 271: trace = 6.680068177338072 (1.41063e-09% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177272095 (9.87663e-10% change) linmin: converged after 4 iterations. iteration 273: trace = 6.680068177245388 (3.99796e-10% change) linmin: converged after 15 iterations. iteration 274: trace = 6.680068177203003 (6.34509e-10% change) linmin: converged after 15 iterations. iteration 275: trace = 6.680068177157596 (6.79742e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177145132 (1.86582e-10% change) large trace change predicted (3.75195e-10%) linmin: converged after 4 iterations. iteration 277: trace = 6.680068177120065 (3.75252e-10% change) linmin: converged after 6 iterations. iteration 278: trace = 6.680068177107303 (1.91036e-10% change) linmin: converged after 9 iterations. iteration 279: trace = 6.680068177097761 (1.42852e-10% change) resetting CG direction... linmin: converged after 9 iterations. iteration 280: trace = 6.680068177092473 (7.91641e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 2.7406210899353027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587455311328 (0.0686633% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159760210607 (0.0665581% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179164838401 (0.0297871% change) linmin: converged after 4 iterations. iteration 4: trace = 6.64753416259331 (0.00970241% change) linmin: converged after 3 iterations. iteration 5: trace = 6.6469666136075 (0.0085381% change) linmin: converged after 4 iterations. iteration 6: trace = 6.645994018177636 (0.0146332% change) linmin: converged after 3 iterations. iteration 7: trace = 6.64530472666308 (0.0103721% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933052356651 (0.00559319% change) linmin: converged after 3 iterations. iteration 9: trace = 6.644423335856935 (0.00767105% change) linmin: converged after 3 iterations. iteration 10: trace = 6.64420115647265 (0.0033439% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990275840968 (0.00317396% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843510252407 (0.00220902% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564751930795 (0.00419583% change) linmin: converged after 4 iterations. iteration 14: trace = 6.64327911203505 (0.00429959% change) linmin: converged after 3 iterations. iteration 15: trace = 6.64307162272011 (0.00312335% change) linmin: converged after 4 iterations. iteration 16: trace = 6.642974799946697 (0.00145751% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909147828732 (0.000988299% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890167027224 (0.000285731% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868866277831 (0.000320655% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841255990717 (0.000415639% change) linmin: converged after 4 iterations. iteration 21: trace = 6.642822870559128 (0.000276771% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805065880108 (0.000268029% change) linmin: converged after 3 iterations. iteration 23: trace = 6.64279144083442 (0.00020511% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785631391333 (8.74549e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.642782971983666 (4.00345e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780010618989 (4.45802e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.64277821577196 (2.70195e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777033771829 (1.77938e-05% change) large trace change predicted (3.72453e-05%) linmin: converged after 4 iterations. iteration 29: trace = 6.642774560640914 (3.72304e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773633138377 (1.39626e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772722826313 (1.37038e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.642771828262404 (1.34667e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.64277087576031 (1.43389e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.642770553794994 (4.84685e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.642770128430119 (6.40343e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.642769885778785 (3.65286e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.642769776764544 (1.6411e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.642769636191611 (2.11618e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.642769529879722 (1.60042e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 6.64276948230084 (7.16251e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417347594 (9.77804e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718568 (5.51412e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.642769352276503 (4.28166e-07% change) linmin: converged after 8 iterations. iteration 44: trace = 6.642769335009672 (2.59934e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308412368 (4.00395e-07% change) linmin: converged after 10 iterations. iteration 46: trace = 6.642769295594344 (1.92962e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 6.642769286031895 (1.43953e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.642769278113336 (1.19206e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.642769268636345 (1.42666e-07% change) linmin: converged after 6 iterations. iteration 50: trace = 6.642769264678964 (5.95743e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258347661 (9.53112e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.642769254860999 (5.24881e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253450789 (2.12293e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332606 (3.1887e-08% change) linmin: converged after 8 iterations. iteration 55: trace = 6.642769250050419 (1.9302e-08% change) linmin: converged after 7 iterations. iteration 56: trace = 6.6427692492726 (1.17093e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248105801 (1.7565e-08% change) linmin: converged after 32 iterations. iteration 58: trace = 6.642769246923345 (1.78006e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246437547 (7.31319e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.642769246055699 (5.74833e-09% change) linmin: converged after 19 iterations. iteration 61: trace = 6.642769245798688 (3.86904e-09% change) linmin: converged after 26 iterations. iteration 62: trace = 6.642769245596893 (3.03781e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.642769245361455 (3.54427e-09% change) linmin: converged after 5 iterations. iteration 64: trace = 6.642769245059515 (4.54539e-09% change) linmin: converged after 24 iterations. iteration 65: trace = 6.64276924497741 (1.23601e-09% change) linmin: converged after 14 iterations. iteration 66: trace = 6.642769244866003 (1.67713e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.642769244785121 (1.21759e-09% change) linmin: converged after 8 iterations. iteration 68: trace = 6.642769244740458 (6.72354e-10% change) linmin: converged after 14 iterations. iteration 69: trace = 6.642769244697033 (6.53716e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.64276924467363 (3.52302e-10% change) linmin: converged after 15 iterations. iteration 71: trace = 6.642769244658356 (2.29934e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.64276924463728 (3.17284e-10% change) linmin: converged after 11 iterations. iteration 73: trace = 6.642769244619855 (2.62318e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 6.64276924460999 (1.48507e-10% change) linmin: converged after 9 iterations. iteration 75: trace = 6.642769244598637 (1.70903e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.64276924458175 (2.54215e-10% change) linmin: converged after 3 iterations. iteration 77: trace = 6.642769244576464 (7.95685e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.5663411617279053 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429231511185 (0.117813% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682646875626627 (0.0715382% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627759254707 (0.0451887% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424623045876 (0.077926% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593818216934 (0.0574118% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532380670411 (0.0159135% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698883194505 (0.0124979% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450150690025 (0.018727% change) linmin: converged after 4 iterations. iteration 9: trace = 6.66685421691059 (0.00893836% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666561020957688 (0.00439791% change) large trace change predicted (0.0103226%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873832486198 (0.0103085% change) linmin: converged after 3 iterations. iteration 12: trace = 6.66534367843415 (0.00795357% change) linmin: converged after 5 iterations. iteration 13: trace = 6.664960567151565 (0.00574798% change) linmin: converged after 4 iterations. iteration 14: trace = 6.66447182671495 (0.00733325% change) linmin: converged after 4 iterations. iteration 15: trace = 6.66434339982356 (0.00192706% change) linmin: converged after 3 iterations. iteration 16: trace = 6.66423537972366 (0.00162088% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099941917526 (0.00203233% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928212821615 (0.00257696% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861709370718 (0.000997967% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812777113738 (0.000734295% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735503528859 (0.00115961% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674701397493 (0.000912437% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634535229166 (0.000602765% change) linmin: converged after 6 iterations. iteration 24: trace = 6.663593038411381 (0.000622737% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573597485097 (0.000291749% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564028806269 (0.000143597% change) linmin: converged after 3 iterations. iteration 27: trace = 6.663549047974307 (0.000224817% change) linmin: converged after 4 iterations. iteration 28: trace = 6.663543234598157 (8.72415e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539629620816 (5.41e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020747423 (5.41585e-05% change) large trace change predicted (0.000126928%) linmin: converged after 4 iterations. iteration 31: trace = 6.663527560554203 (0.000126963% change) linmin: converged after 12 iterations. iteration 32: trace = 6.663522796841909 (7.14894e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519837331688 (4.44136e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.663516772751093 (4.59904e-05% change) linmin: converged after 17 iterations. iteration 35: trace = 6.663513849617122 (4.38677e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.663512817242067 (1.5493e-05% change) large trace change predicted (3.44646e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520469217 (3.44679e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473661299 (1.57096e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.663509059368947 (6.21733e-06% change) large trace change predicted (1.53076e-05%) linmin: converged after 3 iterations. iteration 40: trace = 6.663508039277591 (1.53086e-05% change) linmin: converged after 8 iterations. iteration 41: trace = 6.663507363532601 (1.0141e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506896337038 (7.01126e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 6.663506558669988 (5.06741e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 6.663506414338931 (2.16599e-06% change) linmin: converged after 10 iterations. iteration 45: trace = 6.663506331335545 (1.24564e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506214951667 (1.74659e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039919197 (2.62673e-06% change) linmin: converged after 6 iterations. iteration 48: trace = 6.663505983939295 (8.40097e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.663505907522652 (1.14679e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.663505851032006 (8.47762e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 6.663505805256612 (6.86957e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790501416 (2.21433e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766531589 (3.59718e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.663505741478836 (3.7597e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 6.663505723652033 (2.67529e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.663505707379739 (2.442e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.663505697265364 (1.51788e-07% change) linmin: converged after 10 iterations. iteration 58: trace = 6.663505694684291 (3.87345e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691927321 (4.13742e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.663505688934743 (4.491e-08% change) linmin: converged after 18 iterations. iteration 61: trace = 6.663505686200639 (4.1031e-08% change) linmin: converged after 5 iterations. iteration 62: trace = 6.663505684949753 (1.87722e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683327255 (2.4349e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 6.663505682009577 (1.97745e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681307788 (1.05318e-08% change) linmin: converged after 34 iterations. iteration 66: trace = 6.663505680001043 (1.96105e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.663505679184849 (1.22487e-08% change) linmin: converged after 12 iterations. iteration 68: trace = 6.663505678748463 (6.5489e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 6.663505678470028 (4.17851e-09% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.663505678326044 (2.16079e-09% change) linmin: converged after 5 iterations. iteration 71: trace = 6.663505678226778 (1.4897e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 6.663505678093959 (1.99322e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 6.663505677966054 (1.9195e-09% change) linmin: converged after 9 iterations. iteration 74: trace = 6.663505677909059 (8.55322e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.663505677805617 (1.55237e-09% change) linmin: converged after 5 iterations. iteration 76: trace = 6.66350567774159 (9.60861e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677713072 (4.27967e-10% change) linmin: converged after 15 iterations. iteration 78: trace = 6.663505677677868 (5.28308e-10% change) linmin: converged after 3 iterations. iteration 79: trace = 6.66350567764272 (5.27482e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622083 (3.09699e-10% change) linmin: converged after 11 iterations. iteration 81: trace = 6.663505677595312 (4.01749e-10% change) linmin: converged after 5 iterations. iteration 82: trace = 6.663505677568759 (3.98484e-10% change) linmin: converged after 3 iterations. iteration 83: trace = 6.663505677548605 (3.02462e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 6.663505677537475 (1.67026e-10% change) linmin: converged after 9 iterations. iteration 85: trace = 6.663505677527899 (1.437e-10% change) linmin: converged after 2 iterations. iteration 86: trace = 6.663505677520185 (1.15776e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 6.66350567751532 (7.30029e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.8330905437469482 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447319829122 (0.144043% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737973961372528 (0.0960266% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141747682221 (0.0865949% change) linmin: converged after 8 iterations. iteration 4: trace = 6.724828796500679 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434241355379 (0.0504907% change) linmin: converged after 4 iterations. iteration 6: trace = 6.718962205415226 (0.0367852% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543134764343 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463675707937 (0.0160705% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767540648555 (0.0103651% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605751548929 (0.0173009% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521985435469 (0.0161417% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581835313906 (0.0140048% change) linmin: converged after 3 iterations. iteration 13: trace = 6.71158981476003 (0.0147796% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907669864163 (0.0101642% change) linmin: converged after 3 iterations. iteration 15: trace = 6.710743952111041 (0.00243961% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647231451 (0.00478803% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149736269088 (0.00406705% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926499244011 (0.00332691% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615222871843 (0.00463915% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090117643 (0.00345976% change) linmin: converged after 4 iterations. iteration 21: trace = 6.709272387074732 (0.00164999% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433556145 (0.00160903% change) linmin: converged after 3 iterations. iteration 23: trace = 6.709082283752179 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040657449078 (0.000620449% change) linmin: converged after 4 iterations. iteration 25: trace = 6.709012986499432 (0.000412444% change) linmin: converged after 4 iterations. iteration 26: trace = 6.708973601301382 (0.000587051% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949150379244 (0.000364452% change) linmin: converged after 3 iterations. iteration 28: trace = 6.708939654510758 (0.00014154% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851624748 (0.000265361% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911468699708 (0.000154763% change) linmin: converged after 5 iterations. iteration 31: trace = 6.708903821442493 (0.000113987% change) linmin: converged after 5 iterations. iteration 32: trace = 6.708893718400836 (0.000150592% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883944464088 (0.000145686% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879439481632 (6.71495e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.708871489178604 (0.000118504% change) linmin: converged after 3 iterations. iteration 36: trace = 6.708866031173699 (8.13551e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 6.708863196868343 (4.22472e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860828992465 (3.52947e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.708858447883698 (3.5492e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.708856997940599 (2.16124e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902056196 (3.12406e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.708852610091869 (3.41633e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.708851929347837 (1.0147e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237630113 (1.03105e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.708850275593168 (1.43398e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.70884964610264 (9.38299e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882323291 (1.13847e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.70884831288727 (8.48784e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847878958689 (6.468e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.708847658426824 (3.28718e-06% change) large trace change predicted (7.00903e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188184538 (7.00929e-06% change) linmin: converged after 23 iterations. iteration 52: trace = 6.708846832162545 (5.30675e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.708846619270131 (3.17331e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387818853 (3.44994e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 6.70884617767422 (3.13235e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.708846099858042 (1.1599e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988806679 (1.6553e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.708845926155432 (9.3386e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.708845871821884 (8.09879e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.708845822810831 (7.30544e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.708845760357077 (9.30917e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.70884574300153 (2.58696e-07% change) linmin: converged after 8 iterations. iteration 63: trace = 6.708845724909551 (2.69673e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.708845702105521 (3.3991e-07% change) linmin: converged after 2 iterations. iteration 65: trace = 6.708845680309581 (3.24884e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 6.708845664242869 (2.39485e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650776952 (2.00719e-07% change) linmin: converged after 8 iterations. iteration 68: trace = 6.708845645402574 (8.01088e-08% change) linmin: converged after 15 iterations. iteration 69: trace = 6.708845642039176 (5.01338e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.708845640022382 (3.00617e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.708845637673427 (3.50128e-08% change) linmin: converged after 15 iterations. iteration 72: trace = 6.708845634534958 (4.67811e-08% change) linmin: converged after 12 iterations. iteration 73: trace = 6.708845632986939 (2.30743e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.708845630875617 (3.14707e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.708845629670367 (1.79651e-08% change) linmin: converged after 24 iterations. iteration 76: trace = 6.70884562875462 (1.36498e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 6.708845628229008 (7.83462e-09% change) large trace change predicted (2.48639e-08%) linmin: converged after 25 iterations. iteration 78: trace = 6.708845626560922 (2.4864e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 6.70884562540218 (1.72719e-08% change) linmin: converged after 28 iterations. iteration 80: trace = 6.70884562479466 (9.05551e-09% change) linmin: converged after 15 iterations. iteration 81: trace = 6.708845624335286 (6.84729e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623793696 (8.07277e-09% change) linmin: converged after 21 iterations. iteration 83: trace = 6.708845623387073 (6.061e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.708845623152627 (3.49458e-09% change) linmin: converged after 7 iterations. iteration 85: trace = 6.708845622824246 (4.89474e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.708845622519809 (4.53784e-09% change) linmin: converged after 10 iterations. iteration 87: trace = 6.708845622381896 (2.0557e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195793 (2.77399e-09% change) linmin: converged after 4 iterations. iteration 89: trace = 6.708845622083587 (1.6725e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 6.708845622026749 (8.47224e-10% change) linmin: converged after 16 iterations. iteration 91: trace = 6.708845621976815 (7.44292e-10% change) linmin: converged after 24 iterations. iteration 92: trace = 6.708845621907823 (1.02837e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621869335 (5.73695e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 6.708845621841251 (4.18615e-10% change) linmin: converged after 13 iterations. iteration 95: trace = 6.708845621811554 (4.42656e-10% change) linmin: converged after 10 iterations. iteration 96: trace = 6.70884562176952 (6.26545e-10% change) linmin: converged after 7 iterations. iteration 97: trace = 6.708845621746257 (3.4674e-10% change) linmin: converged after 6 iterations. iteration 98: trace = 6.708845621736258 (1.49044e-10% change) linmin: converged after 5 iterations. iteration 99: trace = 6.70884562172633 (1.47985e-10% change) linmin: converged after 2 iterations. iteration 100: trace = 6.708845621714904 (1.70319e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.708845621705082 (1.46396e-10% change) linmin: converged after 3 iterations. iteration 102: trace = 6.708845621699862 (7.78183e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 1.2387242317199707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698633809191 (0.215819% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922874907878 (0.173586% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206258588999 (0.128686% change) linmin: converged after 4 iterations. iteration 4: trace = 6.763253549953755 (0.0879767% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899925054087 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681354754137 (0.0328201% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086651621764 (0.0235977% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832192148723 (0.0185668% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118495779664 (0.0253694% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749081335605 (0.0350872% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302803233563 (0.0362383% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516481140149 (0.0116511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249224640233 (0.0187801% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632665094483 (0.00913836% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834465752674 (0.0118318% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082856496751 (0.0111424% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977418818899 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390383242796 (0.00870497% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072678219028 (0.00471147% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715957574696 (0.00529032% change) linmin: converged after 3 iterations. iteration 21: trace = 6.742464020086605 (0.00373651% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330320976678 (0.00198296% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122762408378 (0.00307849% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003826540353 (0.00176409% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741880968654315 (0.00182229% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788400424308 (0.00137304% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624608298757 (0.00242954% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503274116909 (0.00179979% change) linmin: converged after 4 iterations. iteration 29: trace = 6.741388490429167 (0.00170266% change) linmin: converged after 8 iterations. iteration 30: trace = 6.741262264020804 (0.00187243% change) linmin: converged after 4 iterations. iteration 31: trace = 6.741141894022464 (0.00178559% change) linmin: converged after 3 iterations. iteration 32: trace = 6.74109194778558 (0.000740919% change) large trace change predicted (0.0015712%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986068071619 (0.00157067% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890539238255 (0.00141714% change) linmin: converged after 3 iterations. iteration 35: trace = 6.740821369640258 (0.00102612% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737626221328 (0.00124234% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661828861594 (0.00112447% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629875483647 (0.00047404% change) linmin: converged after 4 iterations. iteration 39: trace = 6.740602082832254 (0.000412316% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570556701472 (0.000467706% change) linmin: converged after 15 iterations. iteration 41: trace = 6.740536128832213 (0.000510757% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511930212224 (0.000359002% change) linmin: converged after 4 iterations. iteration 43: trace = 6.740477774203758 (0.000506729% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464323510009 (0.000199551% change) linmin: converged after 3 iterations. iteration 45: trace = 6.740454927660496 (0.000139395% change) linmin: converged after 3 iterations. iteration 46: trace = 6.740442913058701 (0.000178246% change) linmin: converged after 3 iterations. iteration 47: trace = 6.740433220383139 (0.000143799% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427240072998 (8.8723e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422387262584 (7.19956e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416731226987 (8.39122e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414148071736 (3.83234e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411996847174 (3.19153e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269508348 (4.04625e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 6.740406805416326 (3.6557e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527769054 (1.8955e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.740404267303223 (1.87002e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728427431 (7.99471e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.74040343819223 (4.3059e-06% change) linmin: converged after 16 iterations. iteration 59: trace = 6.740402943820226 (7.33446e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141855679 (1.18979e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401774602421 (5.44854e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.740401383698577 (5.79941e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.74040121333598 (2.52748e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 6.740401083437249 (1.92717e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960825165 (1.81906e-06% change) linmin: converged after 3 iterations. iteration 66: trace = 6.740400775720624 (2.74619e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708166186 (1.00223e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 6.740400660070001 (7.13551e-07% change) linmin: converged after 31 iterations. iteration 69: trace = 6.74040062254798 (5.56673e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.74040060312624 (2.88139e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.740400587239849 (2.35689e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.740400563945599 (3.45591e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 6.74040053383998 (4.46644e-07% change) linmin: converged after 7 iterations. iteration 74: trace = 6.740400521568885 (1.82053e-07% change) linmin: converged after 3 iterations. iteration 75: trace = 6.740400502328089 (2.85455e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 6.740400485759526 (2.4581e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 6.740400468356567 (2.58189e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451031929 (2.57027e-07% change) linmin: converged after 5 iterations. iteration 79: trace = 6.740400430663574 (3.02183e-07% change) linmin: converged after 3 iterations. iteration 80: trace = 6.740400419609705 (1.63994e-07% change) linmin: converged after 6 iterations. iteration 81: trace = 6.740400411511883 (1.20139e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400771231 (1.59347e-07% change) linmin: converged after 16 iterations. iteration 83: trace = 6.740400386869953 (2.06238e-07% change) linmin: converged after 7 iterations. iteration 84: trace = 6.740400376231782 (1.57827e-07% change) linmin: converged after 7 iterations. iteration 85: trace = 6.740400359188088 (2.52859e-07% change) linmin: converged after 23 iterations. iteration 86: trace = 6.740400345751037 (1.99351e-07% change) linmin: converged after 7 iterations. iteration 87: trace = 6.740400338469485 (1.08028e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 6.740400333644134 (7.15885e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326303966 (1.08898e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316356354 (1.47582e-07% change) linmin: converged after 3 iterations. iteration 91: trace = 6.740400308733944 (1.13085e-07% change) linmin: converged after 5 iterations. iteration 92: trace = 6.740400300065566 (1.28603e-07% change) linmin: converged after 7 iterations. iteration 93: trace = 6.740400294142513 (8.78739e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 6.740400290938995 (4.75271e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.740400289529077 (2.09174e-08% change) large trace change predicted (5.3242e-08%) linmin: converged after 2 iterations. iteration 96: trace = 6.740400285940314 (5.32426e-08% change) linmin: converged after 12 iterations. iteration 97: trace = 6.740400283468649 (3.66694e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281379826 (3.09896e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.740400280637219 (1.10173e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.7404002796497 (1.46508e-08% change) linmin: converged after 16 iterations. iteration 101: trace = 6.740400278730779 (1.3633e-08% change) linmin: converged after 29 iterations. iteration 102: trace = 6.740400277986254 (1.10457e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.740400277260739 (1.07637e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.740400276416281 (1.25283e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.740400275748705 (9.9041e-09% change) linmin: converged after 13 iterations. iteration 106: trace = 6.740400275455274 (4.35332e-09% change) linmin: converged after 5 iterations. iteration 107: trace = 6.740400275281644 (2.57596e-09% change) linmin: converged after 22 iterations. iteration 108: trace = 6.740400275011923 (4.00156e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.740400274878135 (1.98487e-09% change) linmin: converged after 21 iterations. iteration 110: trace = 6.740400274750899 (1.88766e-09% change) linmin: converged after 20 iterations. iteration 111: trace = 6.740400274636951 (1.69052e-09% change) linmin: converged after 11 iterations. iteration 112: trace = 6.74040027454282 (1.39652e-09% change) linmin: converged after 6 iterations. iteration 113: trace = 6.740400274513787 (4.30728e-10% change) linmin: converged after 13 iterations. iteration 114: trace = 6.740400274462895 (7.55025e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274397404 (9.71628e-10% change) linmin: converged after 19 iterations. iteration 116: trace = 6.74040027435167 (6.78507e-10% change) linmin: converged after 12 iterations. iteration 117: trace = 6.740400274329971 (3.21913e-10% change) linmin: converged after 12 iterations. iteration 118: trace = 6.740400274300264 (4.40742e-10% change) linmin: converged after 9 iterations. iteration 119: trace = 6.74040027427553 (3.66951e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274262241 (1.97153e-10% change) linmin: converged after 12 iterations. iteration 121: trace = 6.740400274248134 (2.09289e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.74040027423582 (1.82685e-10% change) linmin: converged after 4 iterations. iteration 123: trace = 6.740400274230122 (8.45301e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 1.6618518829345703 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868894561756 (0.213566% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022097859532 (0.174681% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929070049329 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085858919716 (0.0420065% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298899184147 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340703504475 (0.0289489% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043703128134 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627094571365 (0.0357548% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119979398712 (0.0519121% change) linmin: converged after 4 iterations. iteration 10: trace = 6.75163525675401 (0.036795% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275913842616 (0.0349509% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748514035543023 (0.0112889% change) large trace change predicted (0.0342028%) linmin: converged after 3 iterations. iteration 13: trace = 6.746182802192854 (0.0345504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744301253387214 (0.0278945% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003628869275 (0.0340734% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281272288031 (0.0255499% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215834939365 (0.0158083% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862256984321 (0.00524671% change) linmin: converged after 3 iterations. iteration 19: trace = 6.73833234994108 (0.00786376% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625971738113 (0.0104835% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211474384879 (0.00615217% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596697591564 (0.00912551% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116014632835 (0.00713565% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569710627169 (0.0081104% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736430284 (0.00384495% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879759572813 (0.00639897% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393376777808 (0.00722211% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901809133098 (0.00729963% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209907494645 (0.0102754% change) linmin: converged after 5 iterations. iteration 30: trace = 6.73234965260204 (0.0127771% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921757479517 (0.00635601% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146114838392 (0.0068424% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024257593041 (0.00649049% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758281390215 (0.00395157% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487896341662 (0.00401724% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155611095073 (0.00493714% change) linmin: converged after 3 iterations. iteration 37: trace = 6.72972126355817 (0.00645396% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527916186817 (0.00287308% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325307392039 (0.00301079% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238816203681 (0.0012853% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183779395769 (0.000817879% change) linmin: converged after 6 iterations. iteration 42: trace = 6.729120115637182 (0.000946089% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017040020709 (0.0015318% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962305932486 (0.000813407% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906725084051 (0.000825998% change) linmin: converged after 3 iterations. iteration 46: trace = 6.728867495942988 (0.000582996% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848429906664 (0.000283347% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839595428558 (0.000131293% change) linmin: converged after 5 iterations. iteration 49: trace = 6.728828036383319 (0.000171784% change) linmin: converged after 3 iterations. iteration 50: trace = 6.728815696153597 (0.000183394% change) linmin: converged after 6 iterations. iteration 51: trace = 6.72880830562058 (0.000109834% change) linmin: converged after 4 iterations. iteration 52: trace = 6.728797313435932 (0.00016336% change) linmin: converged after 5 iterations. iteration 53: trace = 6.728790322962288 (0.000103889% change) linmin: converged after 3 iterations. iteration 54: trace = 6.728785442530073 (7.25306e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.728781934730987 (5.21313e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421027439 (6.70806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774464387391 (4.39402e-05% change) linmin: converged after 9 iterations. iteration 58: trace = 6.728770671402769 (5.63696e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766383700355 (6.37219e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759702599734 (9.92917e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756008018565 (5.49073e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.72875132999046 (6.9523e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 6.728747963531919 (5.0031e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746082036418 (2.7962e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743717519837 (3.51405e-05% change) linmin: converged after 4 iterations. iteration 66: trace = 6.728741219038851 (3.71315e-05% change) linmin: converged after 8 iterations. iteration 67: trace = 6.728737885736026 (4.95383e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364539105 (3.74691e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.728731337984738 (5.98412e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.72873034437392 (1.47667e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.72872960776986 (1.09471e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728722987234 (1.31493e-05% change) linmin: converged after 3 iterations. iteration 73: trace = 6.728727748014585 (1.44897e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727116998245 (9.37794e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.728726357738136 (1.12839e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 6.728725546067456 (1.20628e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 6.728725087750155 (6.81135e-06% change) linmin: converged after 2 iterations. iteration 78: trace = 6.728724366364244 (1.0721e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 6.72872358722023 (1.15794e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 6.728722669521229 (1.36385e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087341527 (8.65216e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.728721146582687 (1.39812e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 6.728720479314836 (9.91671e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.728720020913256 (6.81261e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.728719586507617 (6.45599e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719151518812 (6.46466e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.72871833949697 (1.2068e-05% change) linmin: converged after 6 iterations. iteration 88: trace = 6.728717407324229 (1.38536e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 6.728717032618706 (5.56875e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 6.728716493470611 (8.01264e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 6.728716172922691 (4.76388e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 6.728715871856371 (4.47435e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 6.72871560707104 (3.93515e-06% change) large trace change predicted (1.12177e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852116745 (1.12199e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.728714141926561 (1.05546e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 6.728713790469254 (5.22325e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.728713564086949 (3.36442e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 6.728713374544717 (2.81692e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.72871315826111 (3.21434e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 6.728713034157771 (1.84438e-06% change) large trace change predicted (4.57983e-06%) linmin: converged after 9 iterations. iteration 101: trace = 6.728712725995033 (4.57982e-06% change) linmin: converged after 2 iterations. iteration 102: trace = 6.728712544574786 (2.69621e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.728712456539248 (1.30836e-06% change) linmin: converged after 19 iterations. iteration 104: trace = 6.728712395320428 (9.09815e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 6.728712336808206 (8.6959e-07% change) linmin: converged after 5 iterations. iteration 106: trace = 6.728712234630183 (1.51854e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.728712175439821 (8.79669e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079397628 (1.42735e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.728712038543444 (6.07162e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 6.728712017201673 (3.17175e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 6.728711999264673 (2.66574e-07% change) linmin: converged after 5 iterations. iteration 112: trace = 6.728711988069817 (1.66374e-07% change) large trace change predicted (5.38226e-07%) linmin: converged after 5 iterations. iteration 113: trace = 6.728711951855484 (5.38206e-07% change) linmin: converged after 4 iterations. iteration 114: trace = 6.728711933632973 (2.70817e-07% change) linmin: converged after 4 iterations. iteration 115: trace = 6.728711913488169 (2.99386e-07% change) linmin: converged after 7 iterations. iteration 116: trace = 6.72871190080688 (1.88465e-07% change) linmin: converged after 7 iterations. iteration 117: trace = 6.728711891984315 (1.31118e-07% change) linmin: converged after 3 iterations. iteration 118: trace = 6.728711886212583 (8.57777e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.728711875102345 (1.65117e-07% change) linmin: converged after 19 iterations. iteration 120: trace = 6.72871186065501 (2.14712e-07% change) linmin: converged after 8 iterations. iteration 121: trace = 6.728711851906814 (1.30013e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711845976211 (8.81388e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840102187 (8.72979e-08% change) linmin: converged after 3 iterations. iteration 124: trace = 6.728711834480055 (8.35544e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.728711831284315 (4.74941e-08% change) large trace change predicted (1.17261e-07%) linmin: converged after 3 iterations. iteration 126: trace = 6.728711823394237 (1.1726e-07% change) linmin: converged after 3 iterations. iteration 127: trace = 6.728711817715899 (8.43897e-08% change) linmin: converged after 3 iterations. iteration 128: trace = 6.728711814545341 (4.71198e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812179677 (3.51578e-08% change) large trace change predicted (8.43572e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806503583 (8.43563e-08% change) large trace change predicted (2.30065e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791024086 (2.30051e-07% change) linmin: converged after 13 iterations. iteration 132: trace = 6.728711774592464 (2.44202e-07% change) linmin: converged after 6 iterations. iteration 133: trace = 6.728711761313651 (1.97346e-07% change) linmin: converged after 15 iterations. iteration 134: trace = 6.728711750477235 (1.61047e-07% change) large trace change predicted (4.61682e-07%) linmin: converged after 4 iterations. iteration 135: trace = 6.728711719412686 (4.61672e-07% change) large trace change predicted (9.46138e-07%) linmin: converged after 3 iterations. iteration 136: trace = 6.728711655745908 (9.46196e-07% change) large trace change predicted (2.05255e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.72871151760072 (2.05307e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728455612532036 (0.00380325% change) linmin: converged after 5 iterations. iteration 139: trace = 6.72845477912518 (1.23863e-05% change) resetting CG direction... large trace change predicted (0.0189297%) linmin: converged after 5 iterations. iteration 140: trace = 6.727182327111736 (0.0189133% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726299471168846 (0.0131246% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725635969876103 (0.00986477% change) linmin: converged after 5 iterations. iteration 143: trace = 6.724685377187572 (0.0141349% change) linmin: converged after 5 iterations. iteration 144: trace = 6.724133330083055 (0.0082096% change) large trace change predicted (0.0171562%) linmin: converged after 3 iterations. iteration 145: trace = 6.722973794892795 (0.0172459% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721485621133838 (0.0221381% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720346345352626 (0.0169512% change) linmin: converged after 4 iterations. iteration 148: trace = 6.719989858993058 (0.00530472% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719510680923915 (0.00713089% change) linmin: converged after 3 iterations. iteration 150: trace = 6.718980140174779 (0.00789584% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718449806680475 (0.00789338% change) linmin: converged after 4 iterations. iteration 152: trace = 6.71772606218937 (0.0107731% change) linmin: converged after 5 iterations. iteration 153: trace = 6.717054313408507 (0.0100001% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716295237212367 (0.0113014% change) linmin: converged after 3 iterations. iteration 155: trace = 6.715943111232894 (0.005243% change) large trace change predicted (0.0125295%) linmin: converged after 4 iterations. iteration 156: trace = 6.715108776941975 (0.012424% change) linmin: converged after 4 iterations. iteration 157: trace = 6.71423638836867 (0.0129923% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713503133059845 (0.0109215% change) large trace change predicted (0.0266079%) linmin: converged after 4 iterations. iteration 159: trace = 6.711719331567473 (0.0265739% change) linmin: converged after 7 iterations. iteration 160: trace = 6.709706481994446 (0.0299946% change) linmin: converged after 4 iterations. iteration 161: trace = 6.70766899384598 (0.0303709% change) linmin: converged after 4 iterations. iteration 162: trace = 6.706395647362942 (0.0189852% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704098646677664 (0.0342568% change) linmin: converged after 4 iterations. iteration 164: trace = 6.702528235233215 (0.0234274% change) large trace change predicted (0.0528153%) linmin: converged after 5 iterations. iteration 165: trace = 6.699094220494626 (0.0512477% change) linmin: converged after 5 iterations. iteration 166: trace = 6.69528242497002 (0.0569164% change) linmin: converged after 6 iterations. iteration 167: trace = 6.691348642452727 (0.0587718% change) linmin: converged after 6 iterations. iteration 168: trace = 6.687719621241007 (0.0542492% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685739983493502 (0.0296055% change) linmin: converged after 3 iterations. iteration 170: trace = 6.684455635028102 (0.0192121% change) linmin: converged after 3 iterations. iteration 171: trace = 6.682974133859655 (0.0221658% change) linmin: converged after 3 iterations. iteration 172: trace = 6.681940912528768 (0.0154617% change) linmin: converged after 5 iterations. iteration 173: trace = 6.681084770560249 (0.0128136% change) linmin: converged after 4 iterations. iteration 174: trace = 6.67970035422904 (0.0207236% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678201073651787 (0.0224478% change) linmin: converged after 4 iterations. iteration 176: trace = 6.676815853159746 (0.0207446% change) linmin: converged after 4 iterations. iteration 177: trace = 6.674980260576841 (0.0274958% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673011495981964 (0.029499% change) linmin: converged after 4 iterations. iteration 179: trace = 6.671101800743234 (0.0286223% change) linmin: converged after 4 iterations. iteration 180: trace = 6.669499722953774 (0.0240181% change) linmin: converged after 4 iterations. iteration 181: trace = 6.668410911847893 (0.0163266% change) linmin: converged after 4 iterations. iteration 182: trace = 6.667342381864346 (0.016025% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666216424602033 (0.0168891% change) linmin: converged after 4 iterations. iteration 184: trace = 6.665554827706494 (0.00992512% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665106293874628 (0.00672936% change) linmin: converged after 4 iterations. iteration 186: trace = 6.664528835344536 (0.00866428% change) linmin: converged after 4 iterations. iteration 187: trace = 6.663957288068281 (0.00857633% change) linmin: converged after 3 iterations. iteration 188: trace = 6.663542183959137 (0.00622929% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663082759104757 (0.00689484% change) linmin: converged after 4 iterations. iteration 190: trace = 6.662460864341498 (0.00933387% change) linmin: converged after 4 iterations. iteration 191: trace = 6.661699427146337 (0.0114294% change) linmin: converged after 4 iterations. iteration 192: trace = 6.660790647771726 (0.0136428% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660009515564351 (0.011728% change) linmin: converged after 3 iterations. iteration 194: trace = 6.659479416569215 (0.00795975% change) linmin: converged after 3 iterations. iteration 195: trace = 6.658939745613951 (0.00810413% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658371335571489 (0.00853641% change) linmin: converged after 3 iterations. iteration 197: trace = 6.658028192771436 (0.00515369% change) linmin: converged after 3 iterations. iteration 198: trace = 6.65780389832038 (0.00336884% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657527938522096 (0.00414499% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657210110490546 (0.00477408% change) linmin: converged after 3 iterations. iteration 201: trace = 6.656939773203598 (0.0040609% change) linmin: converged after 3 iterations. iteration 202: trace = 6.65663275280087 (0.00461214% change) linmin: converged after 4 iterations. iteration 203: trace = 6.656220181129199 (0.0061981% change) linmin: converged after 3 iterations. iteration 204: trace = 6.655787210539536 (0.00650496% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655354811029838 (0.00649681% change) linmin: converged after 3 iterations. iteration 206: trace = 6.654965899747946 (0.00584376% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654688657768218 (0.00416603% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654418905049741 (0.00405366% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654089275950134 (0.00495366% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 6.65353050680927 (0.00839773% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652818155630912 (0.0107069% change) linmin: converged after 4 iterations. iteration 212: trace = 6.651859015156793 (0.0144181% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651104171634607 (0.0113485% change) linmin: converged after 4 iterations. iteration 214: trace = 6.650627750983518 (0.00716329% change) large trace change predicted (0.0177726%) linmin: converged after 3 iterations. iteration 215: trace = 6.649437249189945 (0.0179022% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648413225964701 (0.0154013% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647960793560716 (0.00680535% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647543225011817 (0.00628135% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647045240060661 (0.00749154% change) linmin: converged after 9 iterations. iteration 220: trace = 6.646132649523531 (0.0137302% change) linmin: converged after 3 iterations. iteration 221: trace = 6.645487984623257 (0.00970032% change) linmin: converged after 4 iterations. iteration 222: trace = 6.644378773638831 (0.0166926% change) linmin: converged after 6 iterations. iteration 223: trace = 6.643944767391035 (0.00653214% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643664019338058 (0.00422571% change) linmin: converged after 3 iterations. iteration 225: trace = 6.64332820593677 (0.00505477% change) large trace change predicted (0.0103065%) linmin: converged after 4 iterations. iteration 226: trace = 6.642643324643781 (0.0103098% change) linmin: converged after 4 iterations. iteration 227: trace = 6.642051208593299 (0.00891426% change) linmin: converged after 4 iterations. iteration 228: trace = 6.64157854661328 (0.00711646% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641038717103832 (0.00812836% change) linmin: converged after 4 iterations. iteration 230: trace = 6.640707914272707 (0.00498132% change) linmin: converged after 3 iterations. iteration 231: trace = 6.640453786039423 (0.0038269% change) linmin: converged after 5 iterations. iteration 232: trace = 6.64016316627796 (0.0043766% change) linmin: converged after 4 iterations. iteration 233: trace = 6.639743713274357 (0.00631711% change) linmin: converged after 5 iterations. iteration 234: trace = 6.639544583635618 (0.0029991% change) linmin: converged after 4 iterations. iteration 235: trace = 6.639282699782756 (0.00394438% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639199970545302 (0.00124606% change) linmin: converged after 3 iterations. iteration 237: trace = 6.639142258329993 (0.000869268% change) linmin: converged after 3 iterations. iteration 238: trace = 6.639077815760677 (0.000970651% change) linmin: converged after 3 iterations. iteration 239: trace = 6.63900571480012 (0.00108601% change) linmin: converged after 3 iterations. iteration 240: trace = 6.638961920800485 (0.000659649% change) linmin: converged after 4 iterations. iteration 241: trace = 6.638889265379303 (0.00109439% change) linmin: converged after 9 iterations. iteration 242: trace = 6.638839156673328 (0.000754778% change) linmin: converged after 6 iterations. iteration 243: trace = 6.638817271016363 (0.000329661% change) linmin: converged after 4 iterations. iteration 244: trace = 6.638804458011224 (0.000193002% change) linmin: converged after 7 iterations. iteration 245: trace = 6.63879256208756 (0.000179188% change) linmin: converged after 5 iterations. iteration 246: trace = 6.638785642117927 (0.000104235% change) linmin: converged after 4 iterations. iteration 247: trace = 6.638774357143365 (0.000169986% change) linmin: converged after 4 iterations. iteration 248: trace = 6.638762419902748 (0.000179811% change) linmin: converged after 3 iterations. iteration 249: trace = 6.638756892922508 (8.32532e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 6.638752819643989 (6.13561e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 6.63874927416594 (5.34058e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638747235213456 (3.07129e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.63874557978159 (2.49359e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 6.638743011193025 (3.86909e-05% change) linmin: converged after 6 iterations. iteration 255: trace = 6.638741044421006 (2.96257e-05% change) linmin: converged after 6 iterations. iteration 256: trace = 6.638739280427623 (2.65712e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738498218535 (1.17825e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 6.638737828200221 (1.00926e-05% change) linmin: converged after 4 iterations. iteration 259: trace = 6.638737464213616 (5.48277e-06% change) large trace change predicted (1.11011e-05%) linmin: converged after 3 iterations. iteration 260: trace = 6.638736727271766 (1.11006e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 6.638736181512872 (8.22082e-06% change) linmin: converged after 4 iterations. iteration 262: trace = 6.638735682437151 (7.51763e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 6.638735297469644 (5.79881e-06% change) linmin: converged after 4 iterations. iteration 264: trace = 6.638735062412199 (3.5407e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 6.638734959978824 (1.54297e-06% change) linmin: converged after 11 iterations. iteration 266: trace = 6.638734784019256 (2.6505e-06% change) linmin: converged after 6 iterations. iteration 267: trace = 6.638734592568151 (2.88385e-06% change) linmin: converged after 13 iterations. iteration 268: trace = 6.638734439874332 (2.30004e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 6.638734297757939 (2.14072e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 6.638734209238205 (1.33338e-06% change) linmin: converged after 22 iterations. iteration 271: trace = 6.638734172736284 (5.49833e-07% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734126806183 (6.9185e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734049139085 (1.16991e-06% change) linmin: converged after 6 iterations. iteration 274: trace = 6.638733996458739 (7.9353e-07% change) linmin: converged after 17 iterations. iteration 275: trace = 6.638733928256021 (1.02735e-06% change) linmin: converged after 8 iterations. iteration 276: trace = 6.638733864854569 (9.55023e-07% change) linmin: converged after 5 iterations. iteration 277: trace = 6.638733827572725 (5.61581e-07% change) linmin: converged after 11 iterations. iteration 278: trace = 6.638733802915664 (3.71412e-07% change) linmin: converged after 7 iterations. iteration 279: trace = 6.638733768579168 (5.17215e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 6.638733756338033 (1.8439e-07% change) linmin: converged after 3 iterations. iteration 281: trace = 6.638733742254126 (2.12147e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 6.638733724900183 (2.61404e-07% change) linmin: converged after 8 iterations. iteration 283: trace = 6.638733705213524 (2.96542e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733691658619 (2.04179e-07% change) linmin: converged after 5 iterations. iteration 285: trace = 6.638733669490968 (3.33914e-07% change) linmin: converged after 7 iterations. iteration 286: trace = 6.638733650986479 (2.78735e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642951382 (1.21034e-07% change) linmin: converged after 18 iterations. iteration 288: trace = 6.638733629612545 (2.00924e-07% change) linmin: converged after 10 iterations. iteration 289: trace = 6.638733611583582 (2.71572e-07% change) linmin: converged after 10 iterations. iteration 290: trace = 6.638733588865441 (3.42206e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733574592166 (2.15e-07% change) linmin: converged after 21 iterations. iteration 292: trace = 6.63873355337761 (3.19557e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733545016619 (1.25943e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 6.638733539502492 (8.30599e-08% change) linmin: converged after 4 iterations. iteration 295: trace = 6.638733533293647 (9.35245e-08% change) linmin: converged after 9 iterations. iteration 296: trace = 6.6387335213748 (1.79535e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 6.638733507025406 (2.16147e-07% change) linmin: converged after 5 iterations. iteration 298: trace = 6.638733498379596 (1.30233e-07% change) linmin: converged after 5 iterations. iteration 299: trace = 6.638733494484282 (5.86756e-08% change) linmin: converged after 13 iterations. iteration 300: trace = 6.638733490927248 (5.358e-08% change) linmin: converged after 7 iterations. iteration 301: trace = 6.638733485200473 (8.62631e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733476865669 (1.25548e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733473190711 (5.53563e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733468883077 (6.48864e-08% change) linmin: converged after 7 iterations. iteration 305: trace = 6.638733466908565 (2.97423e-08% change) linmin: converged after 4 iterations. iteration 306: trace = 6.638733465375948 (2.3086e-08% change) linmin: converged after 14 iterations. iteration 307: trace = 6.638733464134324 (1.87027e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733462306688 (2.75299e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733460482195 (2.74826e-08% change) linmin: converged after 4 iterations. iteration 310: trace = 6.63873345961143 (1.31164e-08% change) linmin: converged after 4 iterations. iteration 311: trace = 6.638733458642567 (1.45941e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733458134778 (7.64888e-09% change) linmin: converged after 5 iterations. iteration 313: trace = 6.638733457645783 (7.3658e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457352856 (4.41239e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345684477 (7.65336e-09% change) linmin: converged after 5 iterations. iteration 316: trace = 6.638733456403953 (6.64008e-09% change) linmin: converged after 4 iterations. iteration 317: trace = 6.638733456152282 (3.79094e-09% change) linmin: converged after 4 iterations. iteration 318: trace = 6.638733456030275 (1.83781e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455903995 (1.90217e-09% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455817198 (1.30742e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.638733455756419 (9.1552e-10% change) linmin: converged after 3 iterations. iteration 322: trace = 6.638733455702256 (8.15875e-10% change) linmin: converged after 5 iterations. iteration 323: trace = 6.638733455632201 (1.05525e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455567437 (9.75537e-10% change) linmin: converged after 2 iterations. iteration 325: trace = 6.638733455543287 (3.63781e-10% change) linmin: converged after 3 iterations. iteration 326: trace = 6.638733455532377 (1.64331e-10% change) linmin: converged after 3 iterations. iteration 327: trace = 6.638733455516046 (2.45995e-10% change) linmin: converged after 4 iterations. iteration 328: trace = 6.638733455504073 (1.80359e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455493956 (1.52397e-10% change) linmin: converged after 6 iterations. iteration 330: trace = 6.638733455486666 (1.09799e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.63873345548043 (9.39321e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 4.580918312072754 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.626057620494977 (0.100232% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613126482808 (0.0519976% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673744694375 (0.0292885% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597684089716 (0.0162544% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315086898861 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219271073397 (0.0165587% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295852367035 (0.0290711% change) linmin: converged after 4 iterations. iteration 8: trace = 6.61417947460509 (0.0168771% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750790278417 (0.0064815% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492231709061 (0.00390949% change) linmin: converged after 5 iterations. iteration 11: trace = 6.613099991406017 (0.00593109% change) linmin: converged after 4 iterations. iteration 12: trace = 6.612508174275854 (0.00894956% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911605435617 (0.00902223% change) linmin: converged after 3 iterations. iteration 14: trace = 6.611621978609148 (0.00438048% change) linmin: converged after 3 iterations. iteration 15: trace = 6.61152879661069 (0.00140938% change) linmin: converged after 4 iterations. iteration 16: trace = 6.611478379278624 (0.00076257% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426400397185 (0.000786195% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356798514873 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368975563 (0.000717398% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277607452 (0.00110556% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239700009 (0.000787116% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390617158 (0.000406117% change) linmin: converged after 6 iterations. iteration 23: trace = 6.611149761229047 (0.000115402% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418246711 (0.0001867% change) linmin: converged after 4 iterations. iteration 25: trace = 6.611117109676448 (0.000307188% change) linmin: converged after 8 iterations. iteration 26: trace = 6.611106887867352 (0.000154616% change) linmin: converged after 7 iterations. iteration 27: trace = 6.611093350475041 (0.000204768% change) linmin: converged after 5 iterations. iteration 28: trace = 6.611088832485065 (6.83396e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.61108683176395 (3.02631e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.611085128924971 (2.57573e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.611082646646197 (3.75472e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563818122 (6.17573e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155557211 (2.13015e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809316514 (2.03634e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 6.611075193967333 (9.30785e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.611074698880083 (7.48876e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 6.611074407551921 (4.40667e-06% change) large trace change predicted (9.33295e-06%) linmin: converged after 9 iterations. iteration 38: trace = 6.611073790582134 (9.33237e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203369893 (8.88225e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.611073052540952 (2.28146e-06% change) linmin: converged after 15 iterations. iteration 41: trace = 6.611072941977674 (1.6724e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072861004637 (1.22481e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 6.61107280858274 (7.92941e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776030954 (4.92383e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.611072738168386 (5.72714e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 6.611072698875848 (5.94344e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.611072683717714 (2.29284e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.611072672237301 (1.73654e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758709 (1.43374e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.61107265697399 (8.75005e-08% change) linmin: converged after 8 iterations. iteration 51: trace = 6.611072652142187 (7.30865e-08% change) linmin: converged after 5 iterations. iteration 52: trace = 6.611072646470036 (8.57977e-08% change) linmin: converged after 19 iterations. iteration 53: trace = 6.611072641171591 (8.0145e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640189413 (1.48566e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 6.611072639602241 (8.88163e-09% change) linmin: converged after 21 iterations. iteration 56: trace = 6.61107263921562 (5.84809e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 6.611072638759226 (6.90348e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 6.611072638472151 (4.34234e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 6.611072638036753 (6.58588e-09% change) linmin: converged after 21 iterations. iteration 60: trace = 6.611072637784839 (3.81049e-09% change) linmin: converged after 16 iterations. iteration 61: trace = 6.611072637653132 (1.99222e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.611072637585758 (1.01912e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 6.611072637534616 (7.73571e-10% change) linmin: converged after 7 iterations. iteration 64: trace = 6.611072637495112 (5.97549e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473879 (3.2117e-10% change) large trace change predicted (1.05703e-09%) linmin: converged after 9 iterations. iteration 66: trace = 6.611072637403993 (1.05711e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.61107263737826 (3.89244e-10% change) linmin: converged after 3 iterations. iteration 68: trace = 6.611072637366694 (1.74947e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361763 (7.45761e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 2.046769142150879 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548450697246 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465328255 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588152273 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417678721 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.68057897415484 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730984548 (0.0423443% change) linmin: converged after 4 iterations. iteration 7: trace = 6.674361515607246 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248951057 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.67035707388253 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273270586 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878122467 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347483382 (0.00728184% change) large trace change predicted (0.0240835%) linmin: converged after 3 iterations. iteration 13: trace = 6.665843395804814 (0.0240444% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522489406 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786977709 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117103061 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208990162 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367728647 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138462022 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 5 iterations. iteration 20: trace = 6.662160849212027 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.661974209878505 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520808619 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.6614997208688 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436797187 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968897884 (0.00105786% change) linmin: converged after 5 iterations. iteration 26: trace = 6.661273357518132 (0.000864867% change) linmin: converged after 3 iterations. iteration 27: trace = 6.661214838069622 (0.000878506% change) linmin: converged after 4 iterations. iteration 28: trace = 6.66115775937144 (0.000856885% change) linmin: converged after 16 iterations. iteration 29: trace = 6.661112661277841 (0.000677033% change) linmin: converged after 12 iterations. iteration 30: trace = 6.661070300455188 (0.000635944% change) linmin: converged after 7 iterations. iteration 31: trace = 6.661058308095186 (0.000180037% change) linmin: converged after 4 iterations. iteration 32: trace = 6.661042292616671 (0.000240435% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283422302 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012970038681 (0.000229895% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272851032 (0.00019062% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66098105771455 (0.000288473% change) linmin: converged after 3 iterations. iteration 37: trace = 6.66097484643405 (9.32488e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.660970536549605 (6.47035e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.660965329903084 (7.81665e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.660960399217141 (7.40236e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.660955690712223 (7.06881e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410715819 (6.4255e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058611444 (5.03247e-05% change) linmin: converged after 10 iterations. iteration 44: trace = 6.660947085965647 (1.46022e-05% change) large trace change predicted (2.98585e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097035932 (2.98596e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821792785 (1.91451e-05% change) linmin: converged after 8 iterations. iteration 47: trace = 6.660942440537547 (2.07366e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 6.660941469358377 (1.45802e-05% change) linmin: converged after 9 iterations. iteration 49: trace = 6.660940204105689 (1.89951e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 6.660939460761348 (1.11598e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.660938948019672 (7.69774e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.660938435137035 (7.69986e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003150241 (6.48537e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.660937690918812 (4.6875e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.660937258478576 (6.49218e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.660937080983507 (2.66472e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 6.660937039758156 (6.18912e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.660936992662055 (7.07049e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.660936943515173 (7.37837e-07% change) linmin: converged after 14 iterations. iteration 60: trace = 6.660936890551621 (7.95137e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 6.660936833463546 (8.57058e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 6.660936777956312 (8.33325e-07% change) linmin: converged after 3 iterations. iteration 63: trace = 6.660936765950669 (1.8024e-07% change) linmin: converged after 13 iterations. iteration 64: trace = 6.660936755016479 (1.64154e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.660936746504889 (1.27784e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740712755 (8.69567e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 6.660936737170026 (5.31866e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929397 (9.369e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.660936726677886 (6.38275e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.660936725044449 (2.45226e-08% change) linmin: converged after 3 iterations. iteration 71: trace = 6.660936723760125 (1.92814e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.660936722383197 (2.06717e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.660936721386933 (1.49568e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720553681 (1.25095e-08% change) linmin: converged after 6 iterations. iteration 75: trace = 6.660936719204672 (2.02525e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718306758 (1.34803e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.660936717517901 (1.1843e-08% change) linmin: converged after 16 iterations. iteration 78: trace = 6.660936716875986 (9.63701e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.66093671638297 (7.40159e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716200434 (2.74039e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 6.660936715851852 (5.23324e-09% change) linmin: converged after 25 iterations. iteration 82: trace = 6.660936715504896 (5.20882e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305283 (2.99677e-09% change) linmin: converged after 25 iterations. iteration 84: trace = 6.660936715088249 (3.2583e-09% change) linmin: converged after 6 iterations. iteration 85: trace = 6.660936714937209 (2.26755e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.66093671483393 (1.55052e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.660936714752606 (1.22091e-09% change) linmin: converged after 8 iterations. iteration 88: trace = 6.660936714698563 (8.11342e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617685 (1.21422e-09% change) linmin: converged after 17 iterations. iteration 90: trace = 6.660936714577195 (6.07863e-10% change) linmin: converged after 9 iterations. iteration 91: trace = 6.660936714542663 (5.18431e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 6.66093671452318 (2.92498e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 6.660936714512308 (1.6321e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 6.660936714494092 (2.73483e-10% change) linmin: converged after 18 iterations. iteration 95: trace = 6.660936714476113 (2.6991e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714460309 (2.37268e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.660936714455183 (7.69513e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 1.1243326663970947 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693017208109 (0.25821% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914961701834 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.8034925962326 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487274288505 (0.073597% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361675562998 (0.0754217% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739195795245 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.78264878663999 (0.0455531% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936770194704 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502069710002 (0.124558% change) linmin: converged after 5 iterations. iteration 10: trace = 6.76322651774559 (0.0631977% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059628579385 (0.0912242% change) linmin: converged after 4 iterations. iteration 12: trace = 6.751376335993757 (0.0841443% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749200931166567 (0.0322268% change) large trace change predicted (0.098765%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591263983803 (0.0979806% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640382826808 (0.0289379% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712684722542 (0.043443% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520751506272 (0.0473854% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582910248322 (0.0287789% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242224459929 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109255756887 (0.0168379% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644075252516 (0.0217794% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872536807032 (0.0114705% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359728800651 (0.0076247% change) linmin: converged after 3 iterations. iteration 24: trace = 6.724756248311063 (0.00897361% change) linmin: converged after 4 iterations. iteration 25: trace = 6.7242313053107 (0.00780643% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530381332598 (0.0104244% change) linmin: converged after 4 iterations. iteration 27: trace = 6.72305353579579 (0.00709244% change) linmin: converged after 4 iterations. iteration 28: trace = 6.72265881863575 (0.00587127% change) linmin: converged after 4 iterations. iteration 29: trace = 6.722318016870271 (0.00506958% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110934360552 (0.00308057% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805719628224 (0.00454056% change) linmin: converged after 3 iterations. iteration 32: trace = 6.72165454038865 (0.00224911% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517297783834 (0.00204182% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358425118166 (0.00236367% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272058063197 (0.00128497% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179699166091 (0.00137414% change) linmin: converged after 4 iterations. iteration 37: trace = 6.721123295807936 (0.000839192% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064007742236 (0.000882119% change) linmin: converged after 3 iterations. iteration 39: trace = 6.72097092087002 (0.00138501% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931115538289 (0.000592257% change) large trace change predicted (0.00161289%) linmin: converged after 5 iterations. iteration 41: trace = 6.720822625073012 (0.00161423% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798455955431 (0.000359616% change) large trace change predicted (0.000726896%) linmin: converged after 4 iterations. iteration 43: trace = 6.720749733766366 (0.000724949% change) linmin: converged after 3 iterations. iteration 44: trace = 6.720722597039881 (0.000403776% change) linmin: converged after 5 iterations. iteration 45: trace = 6.720705195143765 (0.000258929% change) large trace change predicted (0.000642163%) linmin: converged after 5 iterations. iteration 46: trace = 6.720662126792548 (0.000640833% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647154498598 (0.00022278% change) linmin: converged after 4 iterations. iteration 48: trace = 6.72062043302607 (0.000397603% change) linmin: converged after 5 iterations. iteration 49: trace = 6.720599309599986 (0.000314308% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588137365055 (0.000166239% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572436621251 (0.000233622% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560499397283 (0.000177622% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778242804 (0.000144648% change) linmin: converged after 3 iterations. iteration 54: trace = 6.720542013016708 (0.000130424% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071646672 (5.86466e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533814739468 (6.33418e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531115770584 (4.016e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587060401 (5.25064e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.720523741211025 (5.72254e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.720520451968262 (4.89433e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.720515635354287 (7.16703e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 6.720513695468099 (2.88651e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.72051133960888 (3.50548e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233359968 (1.64608e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 6.720509525519543 (1.05325e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403248748 (1.66992e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 6.720507795395156 (9.04476e-06% change) large trace change predicted (2.55085e-05%) linmin: converged after 3 iterations. iteration 68: trace = 6.720506081141613 (2.55078e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.720505165966127 (1.36177e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.720504632302556 (7.94083e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757844022 (1.30118e-05% change) linmin: converged after 15 iterations. iteration 72: trace = 6.720503154978902 (8.97054e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.720502824854046 (4.9122e-06% change) linmin: converged after 8 iterations. iteration 74: trace = 6.720502267064615 (8.29982e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.720501617680343 (9.66273e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72050132574036 (4.34402e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.720500923027681 (5.9923e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.720500448330174 (7.06342e-06% change) linmin: converged after 4 iterations. iteration 79: trace = 6.720500087213447 (5.37336e-06% change) linmin: converged after 4 iterations. iteration 80: trace = 6.720499710684663 (5.60269e-06% change) linmin: converged after 22 iterations. iteration 81: trace = 6.720499408614479 (4.49476e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351256553 (8.53477e-07% change) linmin: converged after 2 iterations. iteration 83: trace = 6.720499245527904 (1.57323e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132630193 (1.6799e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.720498945756275 (2.78066e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.720498852637848 (1.38559e-06% change) linmin: converged after 7 iterations. iteration 87: trace = 6.720498761806799 (1.35155e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498673535045 (1.31347e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 6.72049865351342 (2.97919e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625572545 (4.15756e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.720498602030521 (3.50302e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.720498577123617 (3.70611e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.720498560431867 (2.48371e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.720498532209185 (4.19949e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.720498515844808 (2.43499e-07% change) linmin: converged after 7 iterations. iteration 96: trace = 6.720498508767199 (1.05314e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499078233 (1.4417e-07% change) linmin: converged after 5 iterations. iteration 98: trace = 6.720498492456153 (9.85355e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.720498490231268 (3.3106e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.720498486341691 (5.78763e-08% change) linmin: converged after 19 iterations. iteration 101: trace = 6.720498482648972 (5.49471e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.720498480432039 (3.29876e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478111522 (3.45289e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474203783 (5.81466e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.720498473240487 (1.43337e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 6.720498471875248 (2.03145e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498470954793 (1.36962e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.72049847030411 (9.68207e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469396117 (1.35108e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.720498468528084 (1.29162e-08% change) linmin: converged after 22 iterations. iteration 111: trace = 6.720498468211312 (4.71351e-09% change) linmin: converged after 3 iterations. iteration 112: trace = 6.720498467648213 (8.37884e-09% change) linmin: converged after 21 iterations. iteration 113: trace = 6.720498466969858 (1.00938e-08% change) linmin: converged after 7 iterations. iteration 114: trace = 6.720498466674119 (4.40054e-09% change) linmin: converged after 14 iterations. iteration 115: trace = 6.720498466438764 (3.50204e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 6.720498466248166 (2.83607e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 6.720498466097222 (2.24603e-09% change) linmin: converged after 8 iterations. iteration 118: trace = 6.720498466030781 (9.88633e-10% change) large trace change predicted (2.34768e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873002 (2.34772e-09% change) linmin: converged after 5 iterations. iteration 120: trace = 6.720498465792095 (1.20389e-09% change) linmin: converged after 21 iterations. iteration 121: trace = 6.720498465746592 (6.77067e-10% change) linmin: converged after 15 iterations. iteration 122: trace = 6.720498465698609 (7.13992e-10% change) linmin: converged after 15 iterations. iteration 123: trace = 6.720498465621247 (1.15112e-09% change) linmin: converged after 3 iterations. iteration 124: trace = 6.720498465595291 (3.86223e-10% change) linmin: converged after 15 iterations. iteration 125: trace = 6.720498465572993 (3.318e-10% change) linmin: converged after 6 iterations. iteration 126: trace = 6.720498465558284 (2.18856e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.72049846555446 (5.69079e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 1.7867562770843506 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955562928744 (0.370676% change) linmin: converged after 8 iterations. iteration 2: trace = 6.786471668016924 (0.286688% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412334616126 (0.296016% change) linmin: converged after 8 iterations. iteration 4: trace = 6.762821517377909 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550630673623 (0.166799% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349024355771 (0.0918968% change) linmin: converged after 4 iterations. iteration 7: trace = 6.74135156175338 (0.0592801% change) linmin: converged after 3 iterations. iteration 8: trace = 6.73781499530485 (0.0524746% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500225957172 (0.0195152% change) large trace change predicted (0.0500712%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113221246308 (0.050291% change) linmin: converged after 4 iterations. iteration 11: trace = 6.731523269016685 (0.0236167% change) linmin: converged after 3 iterations. iteration 12: trace = 6.72917215108513 (0.0349331% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626313331539 (0.03784% change) linmin: converged after 4 iterations. iteration 14: trace = 6.72526694814056 (0.0202108% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631929555883 (0.0391886% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297250368137 (0.0198555% change) linmin: converged after 3 iterations. iteration 17: trace = 6.718798670863051 (0.037181% change) linmin: converged after 3 iterations. iteration 18: trace = 6.717806138049131 (0.0147736% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974622663739 (0.0123785% change) linmin: converged after 3 iterations. iteration 20: trace = 6.716373022360233 (0.00895682% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154278487252 (0.00325693% change) large trace change predicted (0.0101657%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471624728676 (0.0101649% change) linmin: converged after 4 iterations. iteration 23: trace = 6.715183454624158 (0.00429123% change) large trace change predicted (0.0113966%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417832318219 (0.011402% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023750193567 (0.00586936% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806563698491 (0.00323487% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579671509911 (0.00337954% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511732418807 (0.00101197% change) large trace change predicted (0.00208784%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371329185268 (0.00209137% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315053336248 (0.000838269% change) large trace change predicted (0.00185114%) linmin: converged after 6 iterations. iteration 31: trace = 6.713190941678135 (0.00184876% change) linmin: converged after 4 iterations. iteration 32: trace = 6.713118662949396 (0.00107667% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048702456197 (0.00104215% change) linmin: converged after 4 iterations. iteration 34: trace = 6.712960186571246 (0.00131857% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421130598 (0.000309334% change) large trace change predicted (0.00071383%) linmin: converged after 4 iterations. iteration 36: trace = 6.712891502854644 (0.000713822% change) linmin: converged after 3 iterations. iteration 37: trace = 6.712883798813513 (0.000114765% change) large trace change predicted (0.000489864%) linmin: converged after 5 iterations. iteration 38: trace = 6.712850923537964 (0.000489735% change) linmin: converged after 17 iterations. iteration 39: trace = 6.712831946054455 (0.000282704% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122177292 (0.000191035% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799136904248 (0.000297718% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544479975 (6.8413e-05% change) large trace change predicted (0.000162518%) linmin: converged after 3 iterations. iteration 43: trace = 6.712783638534319 (0.000162465% change) linmin: converged after 12 iterations. iteration 44: trace = 6.712781295388652 (3.49057e-05% change) large trace change predicted (8.74452e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.712775425428213 (8.74446e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.712773786862236 (2.44097e-05% change) large trace change predicted (5.1525e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326702039 (5.15459e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502732814 (4.20686e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 6.71276670572763 (1.1873e-05% change) large trace change predicted (4.49241e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.712763689634836 (4.49307e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 6.712763102138238 (8.75193e-06% change) large trace change predicted (2.71667e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.712761278495808 (2.71668e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 6.712760419626184 (1.27946e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.712759718324621 (1.04473e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.712759022193954 (1.03703e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.712758847526151 (2.60203e-06% change) large trace change predicted (8.44701e-06%) linmin: converged after 3 iterations. iteration 57: trace = 6.712758280604067 (8.44544e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.712758165091206 (1.7208e-06% change) large trace change predicted (5.84606e-06%) linmin: converged after 4 iterations. iteration 59: trace = 6.712757772724152 (5.84509e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 6.712757572397931 (2.98426e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 6.712757429155298 (2.13389e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251619532 (2.64475e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.712757218526112 (4.92993e-07% change) large trace change predicted (1.75906e-06%) linmin: converged after 6 iterations. iteration 64: trace = 6.712757100439914 (1.75913e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.712757077214144 (3.45994e-07% change) large trace change predicted (7.7499e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025189743 (7.75008e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 6.712756982529514 (6.3551e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959209679 (3.47396e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913046917 (6.87687e-07% change) resetting CG direction... linmin: converged after 19 iterations. iteration 70: trace = 6.712756900877062 (1.81294e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887638629 (1.97213e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.71275688341093 (6.29801e-08% change) large trace change predicted (1.50508e-07%) linmin: converged after 12 iterations. iteration 73: trace = 6.71275687330786 (1.50506e-07% change) linmin: converged after 19 iterations. iteration 74: trace = 6.712756865412508 (1.17617e-07% change) linmin: converged after 6 iterations. iteration 75: trace = 6.712756859683109 (8.53509e-08% change) large trace change predicted (2.04361e-07%) linmin: converged after 24 iterations. iteration 76: trace = 6.712756845964888 (2.0436e-07% change) linmin: converged after 7 iterations. iteration 77: trace = 6.712756843622527 (3.48942e-08% change) large trace change predicted (1.27344e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.712756835074155 (1.27345e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.712756830487558 (6.83266e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 6.712756828639383 (2.75323e-08% change) linmin: converged after 20 iterations. iteration 81: trace = 6.712756824947974 (5.4991e-08% change) linmin: converged after 5 iterations. iteration 82: trace = 6.712756821606838 (4.97729e-08% change) linmin: converged after 6 iterations. iteration 83: trace = 6.712756819957895 (2.45643e-08% change) linmin: converged after 12 iterations. iteration 84: trace = 6.712756818925357 (1.53817e-08% change) large trace change predicted (3.12508e-08%) linmin: converged after 7 iterations. iteration 85: trace = 6.712756816827598 (3.12503e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.712756816425909 (5.98397e-09% change) large trace change predicted (2.09825e-08%) linmin: converged after 7 iterations. iteration 87: trace = 6.712756815017419 (2.09823e-08% change) linmin: converged after 4 iterations. iteration 88: trace = 6.712756814601587 (6.19466e-09% change) linmin: converged after 12 iterations. iteration 89: trace = 6.712756814039085 (8.3796e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.712756813426791 (9.12135e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 6.712756812996636 (6.40802e-09% change) linmin: converged after 22 iterations. iteration 92: trace = 6.712756812824484 (2.56455e-09% change) large trace change predicted (6.83861e-09%) linmin: converged after 4 iterations. iteration 93: trace = 6.712756812365434 (6.83847e-09% change) linmin: converged after 4 iterations. iteration 94: trace = 6.712756811977275 (5.78241e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.712756811894042 (1.23992e-09% change) large trace change predicted (3.7171e-09%) linmin: converged after 4 iterations. iteration 96: trace = 6.712756811644525 (3.71707e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.712756811581106 (9.44748e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.712756811502445 (1.17181e-09% change) linmin: converged after 6 iterations. iteration 99: trace = 6.712756811397159 (1.56845e-09% change) linmin: converged after 4 iterations. iteration 100: trace = 6.712756811365788 (4.67339e-10% change) large trace change predicted (1.85038e-09%) linmin: converged after 5 iterations. iteration 101: trace = 6.712756811241579 (1.85034e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 6.71275681118478 (8.46122e-10% change) linmin: converged after 4 iterations. iteration 103: trace = 6.712756811156159 (4.26375e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.712756811110427 (6.81261e-10% change) linmin: converged after 12 iterations. iteration 105: trace = 6.712756811081495 (4.31006e-10% change) linmin: converged after 3 iterations. iteration 106: trace = 6.712756811075088 (9.54499e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 1.9332091808319092 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.8044478351434 (0.0750926% change) large trace change predicted (0.247846%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509654498768 (0.249238% change) linmin: converged after 12 iterations. iteration 3: trace = 6.784165962770588 (0.0492746% change) large trace change predicted (0.154109%) linmin: converged after 4 iterations. iteration 4: trace = 6.77384718771364 (0.152217% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519747236007 (0.0195985% change) large trace change predicted (0.0906905%) linmin: converged after 4 iterations. iteration 6: trace = 6.766221005409494 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489254010924 (0.0108154% change) large trace change predicted (0.0789849%) linmin: converged after 4 iterations. iteration 8: trace = 6.75996017364335 (0.0817582% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699812827886 (0.00385159% change) large trace change predicted (0.0309307%) linmin: converged after 3 iterations. iteration 10: trace = 6.757603788004104 (0.0310125% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757368968240837 (0.00347496% change) large trace change predicted (0.0247089%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700209858244 (0.0246984% change) linmin: converged after 4 iterations. iteration 13: trace = 6.75550475371244 (0.00289325% change) large trace change predicted (0.0128516%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652067148228 (0.0126229% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115821019064 (0.00793923% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542652422613 (0.00848657% change) large trace change predicted (0.0199713%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183278269626 (0.0201303% change) linmin: converged after 4 iterations. iteration 18: trace = 6.75208493575188 (0.00145647% change) large trace change predicted (0.015881%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015905606896 (0.0158338% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877637360235 (0.00204813% change) large trace change predicted (0.0154239%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833196948091 (0.0154724% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728269033688 (0.00155454% change) large trace change predicted (0.0115026%) linmin: converged after 8 iterations. iteration 23: trace = 6.748952010720384 (0.0115012% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764532707238 (0.00277792% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017376526 (0.00427518% change) linmin: converged after 4 iterations. iteration 26: trace = 6.74826276729166 (0.00316002% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165139926822 (0.00144671% change) large trace change predicted (0.00385794%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905812116392 (0.00384301% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846599163342 (0.000877505% change) large trace change predicted (0.00317739%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632827871498 (0.00316804% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606384649958 (0.00039189% change) large trace change predicted (0.00306599%) linmin: converged after 6 iterations. iteration 32: trace = 6.747399942257656 (0.00305954% change) linmin: converged after 5 iterations. iteration 33: trace = 6.747387711015182 (0.000181274% change) large trace change predicted (0.00242319%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225019319337 (0.00241121% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960783946 (0.000460317% change) large trace change predicted (0.00107865%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121432363463 (0.00107495% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099769037731 (0.000321076% change) large trace change predicted (0.000751319%) linmin: converged after 5 iterations. iteration 38: trace = 6.747049143717764 (0.00075033% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008134513375 (0.000607811% change) linmin: converged after 8 iterations. iteration 40: trace = 6.746998868110698 (0.000137341% change) large trace change predicted (0.000631485%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956261049553 (0.000631498% change) linmin: converged after 17 iterations. iteration 42: trace = 6.746953503606534 (4.08694e-05% change) large trace change predicted (0.000481241%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047449827 (0.00048105% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917365672457 (5.45698e-05% change) large trace change predicted (0.000269893%) linmin: converged after 3 iterations. iteration 45: trace = 6.746899160219138 (0.000269834% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895007681262 (6.15474e-05% change) large trace change predicted (0.000193055%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974548431 (0.000193172% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874480879051 (0.000111069% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868148057193 (9.38631e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.746857504130872 (0.000157761% change) linmin: converged after 5 iterations. iteration 51: trace = 6.746855517504448 (2.94452e-05% change) large trace change predicted (0.000214725%) linmin: converged after 13 iterations. iteration 52: trace = 6.746841037938518 (0.000214612% change) linmin: converged after 3 iterations. iteration 53: trace = 6.746840193319111 (1.25187e-05% change) large trace change predicted (9.31731e-05%) linmin: converged after 4 iterations. iteration 54: trace = 6.746833909874822 (9.31317e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185120688 (1.07421e-05% change) large trace change predicted (5.96401e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162775065 (5.96183e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.74682872584188 (6.47613e-06% change) large trace change predicted (2.46616e-05%) linmin: converged after 3 iterations. iteration 58: trace = 6.746827062783421 (2.46495e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.746825889422444 (1.73913e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.7468254528186 (6.47125e-06% change) large trace change predicted (2.9587e-05%) linmin: converged after 4 iterations. iteration 61: trace = 6.746823456469007 (2.95895e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.746823127186178 (4.88056e-06% change) large trace change predicted (2.68491e-05%) linmin: converged after 4 iterations. iteration 63: trace = 6.746821315813991 (2.68478e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.74682118419874 (1.95077e-06% change) large trace change predicted (1.52545e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154925574 (1.52557e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.746820081598261 (1.08684e-06% change) large trace change predicted (7.08505e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603550819 (7.08552e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452654242 (2.23656e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 6.746819257362958 (2.89457e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.746819149258496 (1.6023e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.746819008848828 (2.08112e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910390979 (1.45932e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745366121 (2.44597e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.7468186168483 (1.90487e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.746818399163002 (3.22649e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.746818285200208 (1.68913e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818110005857 (2.5967e-06% change) linmin: converged after 15 iterations. iteration 78: trace = 6.746818071168098 (5.75646e-07% change) large trace change predicted (1.54232e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967112386 (1.54229e-06% change) linmin: converged after 15 iterations. iteration 80: trace = 6.746817916805639 (7.45637e-07% change) linmin: converged after 5 iterations. iteration 81: trace = 6.746817907872918 (1.32399e-07% change) large trace change predicted (1.24818e-06%) linmin: converged after 3 iterations. iteration 82: trace = 6.746817823656416 (1.24824e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.746817816741741 (1.02488e-07% change) large trace change predicted (1.0307e-06%) linmin: converged after 6 iterations. iteration 84: trace = 6.746817747203361 (1.03068e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.746817736432 (1.59651e-07% change) large trace change predicted (4.77887e-07%) linmin: converged after 12 iterations. iteration 86: trace = 6.746817704190105 (4.77883e-07% change) linmin: converged after 3 iterations. iteration 87: trace = 6.746817697549723 (9.84224e-08% change) large trace change predicted (2.33383e-07%) linmin: converged after 13 iterations. iteration 88: trace = 6.74681768180402 (2.3338e-07% change) linmin: converged after 4 iterations. iteration 89: trace = 6.746817679536382 (3.36105e-08% change) large trace change predicted (1.96595e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817666272639 (1.96593e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.746817665247363 (1.51964e-08% change) large trace change predicted (1.41411e-07%) linmin: converged after 4 iterations. iteration 92: trace = 6.746817655706721 (1.4141e-07% change) linmin: converged after 26 iterations. iteration 93: trace = 6.746817655067918 (9.46821e-09% change) large trace change predicted (1.33504e-07%) linmin: converged after 9 iterations. iteration 94: trace = 6.746817646060598 (1.33505e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.746817642485677 (5.29868e-08% change) linmin: converged after 20 iterations. iteration 96: trace = 6.746817637600816 (7.24025e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.746817635239473 (3.49994e-08% change) large trace change predicted (7.8164e-08%) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629965874 (7.81642e-08% change) linmin: converged after 10 iterations. iteration 99: trace = 6.746817626196352 (5.58711e-08% change) linmin: converged after 33 iterations. iteration 100: trace = 6.746817626000397 (2.9044e-09% change) large trace change predicted (2.59506e-08%) linmin: converged after 34 iterations. iteration 101: trace = 6.746817624249551 (2.59507e-08% change) linmin: converged after 11 iterations. iteration 102: trace = 6.746817624101108 (2.20019e-09% change) large trace change predicted (1.59764e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623023198 (1.59766e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.746817622890795 (1.96246e-09% change) large trace change predicted (1.62697e-08%) linmin: converged after 6 iterations. iteration 105: trace = 6.746817621793102 (1.62698e-08% change) linmin: converged after 26 iterations. iteration 106: trace = 6.74681762168526 (1.59842e-09% change) large trace change predicted (1.71878e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620525645 (1.71876e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.746817620438056 (1.29823e-09% change) large trace change predicted (1.15917e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.746817619655988 (1.15917e-08% change) linmin: converged after 15 iterations. iteration 110: trace = 6.746817619613124 (6.35314e-10% change) large trace change predicted (5.76958e-09%) linmin: converged after 4 iterations. iteration 111: trace = 6.746817619223854 (5.7697e-09% change) linmin: converged after 15 iterations. iteration 112: trace = 6.746817619185846 (5.63344e-10% change) large trace change predicted (2.34418e-09%) linmin: converged after 19 iterations. iteration 113: trace = 6.746817619027684 (2.34424e-09% change) linmin: converged after 6 iterations. iteration 114: trace = 6.746817618906695 (1.79328e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618789834 (1.73209e-09% change) linmin: converged after 10 iterations. iteration 116: trace = 6.746817618601854 (2.78619e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 6.746817618590867 (1.62844e-10% change) large trace change predicted (1.0965e-09%) linmin: converged after 10 iterations. iteration 118: trace = 6.746817618516902 (1.09631e-09% change) linmin: converged after 16 iterations. iteration 119: trace = 6.746817618507549 (1.38621e-10% change) large trace change predicted (1.28664e-09%) linmin: converged after 10 iterations. iteration 120: trace = 6.746817618420743 (1.28662e-09% change) linmin: converged after 11 iterations. iteration 121: trace = 6.746817618412694 (1.19309e-10% change) large trace change predicted (1.81309e-09%) linmin: converged after 4 iterations. iteration 122: trace = 6.746817618290359 (1.81321e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.74681761827393 (2.43515e-10% change) large trace change predicted (1.07706e-09%) linmin: converged after 17 iterations. iteration 124: trace = 6.746817618201255 (1.07718e-09% change) linmin: converged after 4 iterations. iteration 125: trace = 6.746817618193226 (1.18993e-10% change) large trace change predicted (3.69866e-10%) linmin: converged after 4 iterations. iteration 126: trace = 6.746817618168281 (3.69735e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.74681761814764 (3.05941e-10% change) linmin: converged after 2 iterations. iteration 128: trace = 6.746817618140222 (1.09949e-10% change) linmin: converged after 7 iterations. iteration 129: trace = 6.746817618125428 (2.19266e-10% change) linmin: converged after 2 iterations. iteration 130: trace = 6.746817618121911 (5.2131e-11% change) Finished solving for bands 1 to 8 after 130 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 1.8223114013671875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814787989312 (0.213096% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656654509076 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258493879119 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682648152434 (0.109787% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477746036274 (0.046481% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890274792224329 (0.0464743% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461942209045 (0.0408318% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497362695297 (0.0721074% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290953215395 (0.0465987% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875157000383541 (0.0601108% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798266999787 (0.034314% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870795086594073 (0.0291508% change) linmin: converged after 4 iterations. iteration 13: trace = 6.86839591905275 (0.0349244% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214460393963 (0.0317659% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840114271255 (0.0200181% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049097411033 (0.0115234% change) large trace change predicted (0.0249857%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313319854823 (0.0252912% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715281714024 (0.0232899% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968867095816 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391987730293 (0.00840971% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827543470897 (0.00822912% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164445695918 (0.00966827% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406213742799 (0.0110565% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832812668843 (0.00836213% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491585992178 (0.00497657% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252213955899 (0.00349123% change) linmin: converged after 3 iterations. iteration 27: trace = 6.856048907759838 (0.00296531% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800388343612 (0.00362489% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651414321572 (0.00217299% change) linmin: converged after 4 iterations. iteration 30: trace = 6.85551244955388 (0.00202703% change) linmin: converged after 5 iterations. iteration 31: trace = 6.855355721707291 (0.00228618% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230964049745 (0.00181987% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155361996394 (0.00110284% change) linmin: converged after 4 iterations. iteration 34: trace = 6.855094923209286 (0.000881658% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502522022593 (0.00101681% change) linmin: converged after 3 iterations. iteration 36: trace = 6.854917694881054 (0.00156857% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865491725366 (0.000761546% change) linmin: converged after 5 iterations. iteration 38: trace = 6.854810987470301 (0.000795121% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754433469378 (0.00082503% change) linmin: converged after 4 iterations. iteration 40: trace = 6.854698864951357 (0.00081066% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636658912089 (0.000907499% change) linmin: converged after 4 iterations. iteration 42: trace = 6.854585363719888 (0.000748331% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557544507091 (0.000405849% change) linmin: converged after 5 iterations. iteration 44: trace = 6.854534989998289 (0.000329045% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507851821579 (0.000395916% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474003069903 (0.000493819% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448914350061 (0.00036602% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430744342604 (0.000265084% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409554440109 (0.000309142% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819508194 (0.000331684% change) linmin: converged after 5 iterations. iteration 51: trace = 6.854372357327968 (0.000210992% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722410995 (0.000125977% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940939491 (0.000113526% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218710356 (0.000112662% change) linmin: converged after 3 iterations. iteration 55: trace = 6.854341815186448 (9.34228e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867354777 (7.21854e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.854332981396825 (5.66934e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856513015 (6.01792e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.854325493406678 (4.90654e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731349222 (6.94752e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900690151 (4.12974e-05% change) linmin: converged after 14 iterations. iteration 62: trace = 6.854316466669672 (2.09214e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.854314812370705 (2.41351e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.85431270814234 (3.06993e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.854310570375801 (3.11886e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275721606 (1.88882e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 6.854307864115552 (2.05944e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.854306225891643 (2.39006e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757601273 (2.14214e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.854304291819817 (6.79546e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980854112 (4.53679e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707023925 (3.99501e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.854303306250371 (5.84704e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028459787 (4.05279e-06% change) linmin: converged after 26 iterations. iteration 75: trace = 6.854302857028824 (2.50107e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716407965 (2.05157e-06% change) linmin: converged after 21 iterations. iteration 77: trace = 6.854302589318486 (1.85416e-06% change) linmin: converged after 8 iterations. iteration 78: trace = 6.8543024219952 (2.44114e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.854302178669798 (3.54997e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043171542 (1.97684e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.854301959866874 (1.21536e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.854301838195695 (1.77511e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.854301701147671 (1.99945e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.854301574144308 (1.8529e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.854301492749324 (1.1875e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369182877 (1.80276e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.854301206101426 (2.37926e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 6.854301115055389 (1.32831e-06% change) linmin: converged after 8 iterations. iteration 89: trace = 6.854301061409414 (7.82661e-07% change) linmin: converged after 10 iterations. iteration 90: trace = 6.85430101058803 (7.41452e-07% change) linmin: converged after 25 iterations. iteration 91: trace = 6.854300954171511 (8.23082e-07% change) linmin: converged after 9 iterations. iteration 92: trace = 6.854300910074123 (6.43354e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.854300884300905 (3.76015e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282391 (1.60753e-07% change) linmin: converged after 14 iterations. iteration 95: trace = 6.85430086333026 (1.45195e-07% change) linmin: converged after 5 iterations. iteration 96: trace = 6.8543008522905 (1.61063e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845276386 (1.02332e-07% change) linmin: converged after 4 iterations. iteration 98: trace = 6.854300839712233 (8.11775e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.854300833149797 (9.57419e-08% change) linmin: converged after 17 iterations. iteration 100: trace = 6.854300824943884 (1.19719e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821443228 (5.10724e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.85430081941243 (2.96281e-08% change) linmin: converged after 2 iterations. iteration 103: trace = 6.854300816196325 (4.6921e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 6.854300810980522 (7.60953e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 6.854300805513105 (7.97662e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.85430080083837 (6.82015e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854300798695352 (3.12653e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854300795829086 (4.1817e-08% change) large trace change predicted (8.55129e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.854300789967759 (8.55131e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.854300784483071 (8.00182e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782568909 (2.79264e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300780884584 (2.45733e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854300777946526 (4.28644e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 6.854300776030484 (2.79539e-08% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854300775076961 (1.39113e-08% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854300773901541 (1.71486e-08% change) linmin: converged after 5 iterations. iteration 117: trace = 6.854300773062589 (1.22398e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 6.854300772491557 (8.331e-09% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854300772093142 (5.81264e-09% change) linmin: converged after 8 iterations. iteration 120: trace = 6.854300771871336 (3.23601e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854300771709897 (2.35529e-09% change) linmin: converged after 8 iterations. iteration 122: trace = 6.854300771418055 (4.2578e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771297972 (1.75194e-09% change) linmin: converged after 7 iterations. iteration 124: trace = 6.854300771230555 (9.83562e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854300771169864 (8.85444e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771101607 (9.95833e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.854300771046185 (8.08565e-10% change) linmin: converged after 5 iterations. iteration 128: trace = 6.854300771013497 (4.76905e-10% change) linmin: converged after 3 iterations. iteration 129: trace = 6.854300770988869 (3.59299e-10% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854300770973587 (2.22955e-10% change) linmin: converged after 17 iterations. iteration 131: trace = 6.854300770966001 (1.10687e-10% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854300770959848 (8.97599e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.584249496459961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.701793255697757 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007042 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606104412 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341773 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679233695 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919% Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% total elapsed time for run: 28.57735323905945 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepFBAM2J/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepFBAM2J/test_run_te_with_mu_material-0: 28.58s /tmp/meepFBAM2J/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017087459564208984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.5840761661529541 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.31969285011291504 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.20363569259643555 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.04782414436340332 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.1466352939605713 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.054068803787231445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04593324661254883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.04191708564758301 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.06740951538085938 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.05167126655578613 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.08484673500061035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.059745073318481445 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.04679584503173828 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.07974410057067871 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.05168271064758301 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.16650676727294922 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 2.0554745197296143 done /tmp/meepFBAM2J/test_run_tm-0: 2.06s /tmp/meepFBAM2J/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016732215881347656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.16530299186706543 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4557943344116211 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09783554077148438 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08742713928222656 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.22276616096496582 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.39264392852783203 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.4688866138458252 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10118961334228516 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08657312393188477 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1859581470489502 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.3735063076019287 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06638050079345703 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.09281659126281738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10508489608764648 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1244819164276123 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25489068031311035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.2848541736602783 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016584396362304688 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.21925950050354004 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6393897533416748 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10166430473327637 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08811306953430176 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.13018512725830078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1567370891571045 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.17484807968139648 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.363659143447876 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1123044490814209 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1013495922088623 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08259153366088867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0689094066619873 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.08019256591796875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.19491815567016602 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.13351893424987793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6698310375213623 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.320626974105835 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001667022705078125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.19902324676513672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1143653392791748 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.24817585945129395 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08777737617492676 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.11756110191345215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1605851650238037 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6218256950378418 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10480046272277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08652424812316895 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08362650871276855 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08452391624450684 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06566834449768066 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07595157623291016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10407829284667969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12147235870361328 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.28977394104003906 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 3.568908214569092 done /tmp/meepFBAM2J/test_set_eigenvectors-0: 10.18s /tmp/meepFBAM2J/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015861988067626953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690054 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638006 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994748 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915676 (3.48814% change) linmin: converged after 5 iterations. iteration 6: trace = 5.704204927742774 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719287 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801683 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863861 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.63238951095019 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281851 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828863 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451508 (0.00632352% change) linmin: converged after 4 iterations. iteration 14: trace = 5.629707527279329 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 6 iterations. iteration 16: trace = 5.629334770611423 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179754779 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143345387 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210335247 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227212604 (0.00106561% change) linmin: converged after 4 iterations. iteration 21: trace = 5.628918234634898 (0.000657186% change) linmin: converged after 13 iterations. iteration 22: trace = 5.628892160266247 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918705998 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540675988 (0.000131075% change) linmin: converged after 6 iterations. iteration 25: trace = 5.628866521545568 (7.14021e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 5.628864944361773 (2.80196e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 5.628864428335515 (9.1675e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.628864254010919 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199205668 (9.73647e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 5.628864180871601 (3.25715e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355644 (1.1576e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803173 (4.53461e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678025 (1.99889e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 5.628864170196713 (8.55078e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964596 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778765 (3.30139e-09% change) linmin: converged after 12 iterations. iteration 37: trace = 5.628864169602526 (3.131e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 5.628864169405927 (3.4927e-09% change) linmin: converged after 9 iterations. iteration 39: trace = 5.628864169253099 (2.71508e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628864169153879 (1.76269e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 5.628864169097579 (1.00021e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061671 (6.37913e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.62886416903688 (4.40439e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.628864169022885 (2.4863e-10% change) linmin: converged after 5 iterations. iteration 45: trace = 5.628864169016389 (1.15408e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.1273210048675537 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383808177 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054238222 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656916263 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656698282 (0.0219717% change) linmin: converged after 3 iterations. iteration 5: trace = 5.651455832958964 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354684 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221654 (0.00509164% change) linmin: converged after 5 iterations. iteration 8: trace = 5.650503338619168 (0.00301938% change) linmin: converged after 6 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 3 iterations. iteration 10: trace = 5.650387262434869 (0.000763755% change) linmin: converged after 4 iterations. iteration 11: trace = 5.650369556591794 (0.000313357% change) linmin: converged after 4 iterations. iteration 12: trace = 5.650362805816114 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400670214 (4.25662e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822551868 (1.02315e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.650359570380632 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721783 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358939 (7.49737e-07% change) linmin: converged after 15 iterations. iteration 18: trace = 5.650359402315163 (2.83943e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.650359397610368 (8.32654e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.650359395697522 (3.38535e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.650359394584378 (1.97004e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286108 (2.29768e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 5.650359391538194 (3.09346e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.65035938990169 (2.89628e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.650359388475219 (2.52457e-08% change) linmin: converged after 14 iterations. iteration 26: trace = 5.650359386380272 (3.70764e-08% change) large trace change predicted (9.57982e-08%) linmin: converged after 6 iterations. iteration 27: trace = 5.650359380967167 (9.58011e-08% change) near maximum in trace linmin: converged after 12 iterations. iteration 28: trace = 5.65029130912194 (0.00120474% change) linmin: converged after 7 iterations. iteration 29: trace = 5.650291234061909 (1.32843e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.650291159747921 (1.31522e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 5.650291086201616 (1.30164e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.650291013437279 (1.2878e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 5.650290941462908 (1.27382e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.650290870281232 (1.25979e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.650290799890623 (1.24579e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.650290730285771 (1.23188e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.650290661458452 (1.21812e-06% change) linmin: converged after 7 iterations. iteration 38: trace = 5.650290593398053 (1.20455e-06% change) linmin: converged after 15 iterations. iteration 39: trace = 5.650290526092048 (1.1912e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.650290459526456 (1.17809e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 5.650290393686173 (1.16525e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 5.650290328555217 (1.1527e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 5.650290264117083 (1.14044e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.650290200354844 (1.12848e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290137251378 (1.11682e-06% change) linmin: converged after 9 iterations. iteration 46: trace = 5.650290074789467 (1.10546e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.650290012951959 (1.09441e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289951721833 (1.08366e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289891082261 (1.07321e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 5.650289831016662 (1.06305e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.650289771508803 (1.05318e-06% change) linmin: converged after 6 iterations. iteration 52: trace = 5.650289712542765 (1.04359e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 5.650289654102977 (1.03428e-06% change) linmin: converged after 17 iterations. iteration 54: trace = 5.650289596174298 (1.02523e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.650289538735549 (1.01656e-06% change) linmin: converged after 18 iterations. iteration 56: trace = 5.65028948178523 (1.00792e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.650289425290975 (9.99847e-07% change) linmin: converged after 7 iterations. iteration 58: trace = 5.650289369263237 (9.91591e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 5.650289313676903 (9.83779e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 5.650289258515707 (9.76254e-07% change) linmin: converged after 7 iterations. iteration 61: trace = 5.650289203774422 (9.68823e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.65028914943757 (9.61665e-07% change) linmin: converged after 10 iterations. iteration 63: trace = 5.650289095493558 (9.54712e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 5.650289041921457 (9.4813e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 5.65028898872999 (9.41394e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 5.650288935898927 (9.35015e-07% change) linmin: converged after 13 iterations. iteration 67: trace = 5.650288883409756 (9.28964e-07% change) linmin: converged after 7 iterations. iteration 68: trace = 5.650288831261826 (9.22925e-07% change) linmin: converged after 8 iterations. iteration 69: trace = 5.650288779444876 (9.17067e-07% change) resetting CG direction... large trace change predicted (0.0219494%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030468293702 (0.0222723% change) linmin: converged after 3 iterations. iteration 71: trace = 5.64829136620188 (0.0130846% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952692809617 (0.00599621% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647730066485801 (0.00394179% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486452368881 (0.00431358% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157647966095 (0.00582231% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646836023572824 (0.00569549% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550485301955 (0.00505673% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220747932997 (0.0058398% change) large trace change predicted (0.0119218%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515259687648 (0.0124957% change) large trace change predicted (0.0250157%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058926472955 (0.0257996% change) linmin: converged after 10 iterations. iteration 81: trace = 5.642273446376459 (0.0316397% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640698255256122 (0.0279216% change) linmin: converged after 7 iterations. iteration 83: trace = 5.639845149544605 (0.0151253% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288483577501 (0.00987072% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902685900879 (0.00684148% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726995261628 (0.00311574% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638885026625 (0.0015626% change) linmin: converged after 5 iterations. iteration 88: trace = 5.638595387765385 (0.000771417% change) linmin: converged after 3 iterations. iteration 89: trace = 5.63857049670874 (0.000441442% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555869927401 (0.000259406% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546196966949 (0.00017155% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539566898372 (0.000117585% change) linmin: converged after 3 iterations. iteration 93: trace = 5.63853584120281 (6.60756e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 5.638534039131848 (3.19599e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 5.638532923217655 (1.97909e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.63853201375318 (1.61295e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531074937021 (1.665e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 5.638530027134964 (1.85829e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 5.638528499055526 (2.71007e-05% change) linmin: converged after 6 iterations. iteration 100: trace = 5.638526250349737 (3.98811e-05% change) linmin: converged after 4 iterations. iteration 101: trace = 5.638523966989695 (4.04957e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.6385216988416 (4.02259e-05% change) linmin: converged after 5 iterations. iteration 103: trace = 5.638518649900305 (5.40734e-05% change) linmin: converged after 4 iterations. iteration 104: trace = 5.63851666923112 (3.51275e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788362522 (1.56223e-05% change) linmin: converged after 4 iterations. iteration 106: trace = 5.638515475732303 (5.54455e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 5.63851535359939 (2.16605e-06% change) linmin: converged after 4 iterations. iteration 108: trace = 5.638515290971848 (1.11071e-06% change) linmin: converged after 6 iterations. iteration 109: trace = 5.638515251423739 (7.01392e-07% change) linmin: converged after 16 iterations. iteration 110: trace = 5.638515230513041 (3.70855e-07% change) linmin: converged after 2 iterations. iteration 111: trace = 5.6385152189832 (2.04484e-07% change) linmin: converged after 7 iterations. iteration 112: trace = 5.63851521453465 (7.88958e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 5.638515212759899 (3.14755e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 5.638515211748622 (1.79352e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 5.638515210948728 (1.41863e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 5.638515210027005 (1.63469e-08% change) linmin: converged after 4 iterations. iteration 117: trace = 5.638515209014515 (1.79567e-08% change) linmin: converged after 10 iterations. iteration 118: trace = 5.638515207797895 (2.1577e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 5.638515206519796 (2.26673e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.63851520504288 (2.61934e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202936349 (3.73597e-08% change) linmin: converged after 4 iterations. iteration 122: trace = 5.638515200860235 (3.68202e-08% change) linmin: converged after 6 iterations. iteration 123: trace = 5.63851519909181 (3.13633e-08% change) linmin: converged after 8 iterations. iteration 124: trace = 5.638515198026758 (1.88889e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197269305 (1.34336e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 5.638515196711155 (9.89888e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196251477 (8.15246e-09% change) linmin: converged after 8 iterations. iteration 128: trace = 5.638515195990945 (4.62058e-09% change) linmin: converged after 8 iterations. iteration 129: trace = 5.638515195870702 (2.13254e-09% change) linmin: converged after 8 iterations. iteration 130: trace = 5.638515195810788 (1.06258e-09% change) linmin: converged after 3 iterations. iteration 131: trace = 5.638515195782595 (5e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576966 (2.29412e-10% change) linmin: converged after 5 iterations. iteration 133: trace = 5.638515195763932 (1.01585e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.5702738761901855 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836813777 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920319447 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913818451 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117723827 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090452 (0.00623453% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874338 (0.0015346% change) linmin: converged after 9 iterations. iteration 7: trace = 5.595198313937154 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956797 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684432 (7.71069e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.595180202268759 (3.23388e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.59517960404312 (1.06918e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.595179391571371 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.595179285473622 (4.58688e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.595179276623069 (1.58182e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689018 (5.24389e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904637 (1.40189e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.595179272581779 (5.77029e-09% change) linmin: converged after 11 iterations. iteration 19: trace = 5.595179272336526 (4.3833e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.595179272188355 (2.64818e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.595179272063362 (2.23395e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.59517927196455 (1.76601e-09% change) linmin: converged after 17 iterations. iteration 23: trace = 5.595179271878046 (1.54605e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843302 (6.20959e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.595179271827009 (2.91208e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.595179271819181 (1.39898e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.2760140895843506 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769399094 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264359311 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100766153 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954554049 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315722 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291432 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907684 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250994 (0.000133931% change) linmin: converged after 5 iterations. iteration 10: trace = 5.577903978777094 (3.43225e-05% change) linmin: converged after 12 iterations. iteration 11: trace = 5.57790346238493 (9.25782e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.577903351821988 (1.98216e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.577903319845028 (5.73279e-07% change) linmin: converged after 26 iterations. iteration 14: trace = 5.577903310566406 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418655 (5.64325e-08% change) linmin: converged after 12 iterations. iteration 16: trace = 5.57790330586165 (2.79138e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.577903305185303 (1.21255e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.577903304857366 (5.87921e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.577903304716055 (2.53341e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.577903304686389 (5.31849e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.577903304676372 (1.79581e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.10460400581359863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984177758 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098157666 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607935736 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314419059 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452726608 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329847 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.59408706885172 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640523 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820709 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.59403506708577 (6.33306e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.594033390558401 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184891 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982707 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072586 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788909 (1.2564e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.594031455144973 (5.47797e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 5.594031432706858 (4.01108e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.594031422730694 (1.78336e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.594031418912031 (6.82632e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677416 (2.20702e-08% change) linmin: converged after 13 iterations. iteration 22: trace = 5.594031417255708 (7.53853e-09% change) linmin: converged after 23 iterations. iteration 23: trace = 5.594031417032638 (3.98765e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.594031416919612 (2.02048e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.59403141687714 (7.59234e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.594031416862822 (2.55957e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.09775233268737793 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023161 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639067469 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452943627 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770227 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073526 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507559706 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056389 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858954874 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947096 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879081736 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.640440099441649 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644369 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778243 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718165 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782468 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569713 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805507 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771831 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137831 (3.15153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 5.637416175196376 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.63741573868567 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.63741548882805 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 21 iterations. iteration 25: trace = 5.637415263728908 (1.61605e-06% change) linmin: converged after 23 iterations. iteration 26: trace = 5.637415208122752 (9.86377e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 5.637415147804327 (1.06997e-06% change) large trace change predicted (2.89726e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984467265 (2.89738e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.637414701465812 (5.02006e-06% change) linmin: converged after 13 iterations. iteration 30: trace = 5.637414479207225 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382458896 (1.71618e-06% change) linmin: converged after 5 iterations. iteration 32: trace = 5.637414352167748 (5.37323e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.637414342884079 (1.6468e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.637414340072562 (4.98725e-08% change) linmin: converged after 12 iterations. iteration 35: trace = 5.637414339312873 (1.34758e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 5.637414338914756 (7.06205e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.637414338639521 (4.88227e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.637414338456356 (3.2491e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 5.637414338381471 (1.32836e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 5.637414338347076 (6.10115e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 5.6374143383179 (5.17554e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.637414338273249 (7.92039e-10% change) linmin: converged after 13 iterations. iteration 43: trace = 5.637414338211488 (1.09556e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 5.637414338111083 (1.78105e-09% change) linmin: converged after 18 iterations. iteration 45: trace = 5.637414338017404 (1.66173e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.637414337962041 (9.82061e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 5.637414337944461 (3.11856e-10% change) linmin: converged after 9 iterations. iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.1767258644104004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961209858 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403003084 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270341415 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887656381 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.52039248359838 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529984 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279448 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913019 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845697 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.51896543492103 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752473 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189399 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535173 (3.98746e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.518941629485345 (1.02203e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.518941443520309 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51894139822527 (8.2072e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.51894138307171 (2.74574e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.518941376509183 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239345 (4.11281e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.518941372978462 (2.28465e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.518941372520745 (8.29357e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.51894137229888 (4.02005e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 5.518941372163193 (2.45857e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.518941372061857 (1.83616e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.518941371930669 (2.37704e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.518941371759532 (3.1009e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614911 (2.62045e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.518941371516171 (1.78912e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.518941371440124 (1.37792e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 5.518941371369822 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.518941371330355 (7.15121e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.518941371316811 (2.45406e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.11842727661132812 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069228532 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100369 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958259 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261594959 (0.0214305% change) linmin: converged after 3 iterations. iteration 5: trace = 5.342917059986682 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492332 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772835 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537944 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052343 (7.23916e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 5.342524762095743 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418491 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.342524475923854 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019504 (1.47952e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.3425244664443 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.34252446601954 (7.95054e-09% change) linmin: converged after 18 iterations. iteration 17: trace = 5.342524465855401 (3.07231e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.342524465750501 (1.96349e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692874 (1.07866e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.342524465655599 (6.97705e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.342524465621588 (6.36593e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.342524465595664 (4.85242e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.34252446557226 (4.38077e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.342524465547464 (4.64128e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.342524465528069 (3.63033e-10% change) linmin: converged after 15 iterations. iteration 26: trace = 5.342524465517735 (1.93428e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.26100587844848633 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851366042 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.20125099997999 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129169 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803618 (0.00667631% change) linmin: converged after 6 iterations. iteration 5: trace = 5.199636452166114 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.199588777495884 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860654868 (0.000383047% change) linmin: converged after 5 iterations. iteration 8: trace = 5.199559960602217 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513362 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338559 (1.6774e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.199556282069324 (3.1016e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.199556247771228 (6.59635e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.199556240158943 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716338 (2.77448e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.199556238427378 (5.5574e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.199556238339892 (1.68256e-09% change) linmin: converged after 15 iterations. iteration 17: trace = 5.199556238303388 (7.02062e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.19955623826938 (6.54063e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.199556238207707 (1.18611e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136203 (1.37521e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.199556238088184 (9.23511e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.19955623807294 (2.93175e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.08313584327697754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636562061 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653694802 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041818844 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935807 (0.00355468% change) linmin: converged after 4 iterations. iteration 5: trace = 5.110110328941206 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675727 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.110090048386214 (8.46421e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.110087943959178 (4.11818e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.110087209667765 (1.43694e-05% change) linmin: converged after 19 iterations. iteration 10: trace = 5.110086882135972 (6.40951e-06% change) linmin: converged after 29 iterations. iteration 11: trace = 5.11008680116278 (1.58458e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.110086778559413 (4.42328e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.11008677237288 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914108 (2.85469e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602328 (6.10128e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66933e-09% change) linmin: converged after 13 iterations. iteration 17: trace = 5.110086770480931 (7.0629e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.110086770438304 (8.34178e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.110086770329216 (2.13476e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238313 (1.7789e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.110086770200718 (7.35698e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.110086770192776 (1.5542e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.6743268966674805 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.082968734459396 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009847005 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162832763 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208724 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284587 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273342 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.07982854705658 (3.57338e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.079827969475216 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733472 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883465 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437724 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.0798277757082 (1.91533e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842991 (7.60894e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756296 (2.13924e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533072 (4.39432e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.079827770466221 (1.316e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.079827770421267 (8.84956e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.079827770346472 (1.4724e-09% change) large trace change predicted (3.34424e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176591 (3.34423e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.079827770098357 (1.54008e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.079827770077139 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 1.2006757259368896 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.14643038681267 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363819 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320569 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400246 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442865 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.13979253351684 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.13978717670438 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.13978547394731 (3.31289e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 5.139784968056223 (2.84858e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.139784924164504 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516125 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150685 (4.60221e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.139784911632526 (1.00814e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523812 (2.11515e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.1397849114978 (5.06076e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.139784911491648 (1.19702e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.49736785888671875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856601055 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434600713 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483632051 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253843 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.308110104171019 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200678 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774419 (0.000644248% change) linmin: converged after 6 iterations. iteration 8: trace = 5.307931944059677 (0.000267782% change) linmin: converged after 3 iterations. iteration 9: trace = 5.307927410039053 (8.54198e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.307925220166293 (4.12567e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.307924508322333 (1.3411e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430648 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022233 (8.30535e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763155 (2.37207e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.307924174428115 (6.31206e-09% change) linmin: converged after 17 iterations. iteration 18: trace = 5.307924174351109 (1.45079e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.307924174333355 (3.34477e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.573063850402832 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532699 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670154723 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928005754 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.521192314611162 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983861 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468542 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129566 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409325 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920189 (0.00265341% change) linmin: converged after 4 iterations. iteration 10: trace = 5.515731715125205 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343585 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907219 (0.000154857% change) linmin: converged after 3 iterations. iteration 13: trace = 5.515691983062538 (5.06708e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.515691259672616 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868783 (5.74368e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 18 iterations. iteration 17: trace = 5.515690808935375 (6.64545e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.515690790954505 (3.25995e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.515690782728353 (1.49141e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.5156907795232 (5.81097e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.51569077844038 (1.96316e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.515690778101872 (6.13718e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.515690777997051 (1.90042e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.51569077796538 (5.74192e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.515690777958355 (1.27373e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.20827865600585938 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390339643 (1.24468% change) linmin: converged after 6 iterations. iteration 2: trace = 5.6476272710025 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.632522083730581 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518819342 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.6225730091186 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744119 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490822013 (0.00597205% change) linmin: converged after 4 iterations. iteration 8: trace = 5.621208187044374 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602503575 (0.0032304% change) linmin: converged after 3 iterations. iteration 10: trace = 5.620814125076359 (0.00378012% change) linmin: converged after 7 iterations. iteration 11: trace = 5.62062988743376 (0.00327783% change) linmin: converged after 4 iterations. iteration 12: trace = 5.620459427819393 (0.0030328% change) linmin: converged after 7 iterations. iteration 13: trace = 5.62036787458806 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402055506 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079253239 (0.000272632% change) linmin: converged after 5 iterations. iteration 16: trace = 5.620311039976532 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265164774 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520931707 (1.32419e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.620308198035178 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374191 (2.43156e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 5.620308008166372 (9.46706e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.620307991490641 (2.96705e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134485 (1.30885e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.620307981733875 (4.27131e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.620307979992731 (3.09795e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 5.620307977675642 (4.12271e-08% change) linmin: converged after 12 iterations. iteration 27: trace = 5.620307974743189 (5.2176e-08% change) linmin: converged after 25 iterations. iteration 28: trace = 5.620307972553177 (3.8966e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72519e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 5.620307971162816 (7.48624e-09% change) linmin: converged after 14 iterations. iteration 31: trace = 5.620307970956896 (3.66387e-09% change) linmin: converged after 8 iterations. iteration 32: trace = 5.620307970850901 (1.88592e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 5.620307970806843 (7.83909e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 5.620307970792958 (2.47064e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.5760695934295654 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683447139 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.69013217511223 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561610348 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700192534 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569915775 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.66898719926361 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726510974 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425642517 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186201759 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953699151 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477910797 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718159335 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953640502 (0.0534701% change) linmin: converged after 6 iterations. iteration 14: trace = 5.656543771246547 (0.0462045% change) linmin: converged after 6 iterations. iteration 15: trace = 5.653314443450369 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363409049 (0.0851002% change) linmin: converged after 5 iterations. iteration 18: trace = 5.638869397659223 (0.0877799% change) linmin: converged after 5 iterations. iteration 19: trace = 5.635889317550877 (0.0528629% change) linmin: converged after 11 iterations. iteration 20: trace = 5.633934894998681 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468096789 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.63216107652609 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240217442 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940342996 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098063058 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619620746 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621853688 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051219722 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777063844 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361182864 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147465816 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226406005 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024992199 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733964276 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.62908622297124 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867570187 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408060253 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62897900457245 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468543664 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628932212763313 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703762905 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770133663 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295239232 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548977001 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125204432 (9.63561e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 5.628876480396267 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.628873855273834 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914588438 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.628870173455866 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872043185 (2.31203e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 5.628867792579706 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350905 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472395086 (1.05697e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 5.628866038937664 (7.70062e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.628865733630174 (5.42396e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 5.628865472838854 (4.63311e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.628865257055493 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067339921 (3.37041e-06% change) linmin: converged after 17 iterations. iteration 59: trace = 5.628864923854199 (2.54911e-06% change) linmin: converged after 4 iterations. iteration 60: trace = 5.628864787382382 (2.4245e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.628864676737184 (1.96568e-06% change) linmin: converged after 12 iterations. iteration 62: trace = 5.628864577624377 (1.7608e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491677724 (1.52689e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.628864423563048 (1.2101e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 5.628864369043746 (9.68567e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328356191 (7.22838e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.62886429490853 (5.94217e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268958717 (4.61013e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245244371 (4.21299e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210816833 (6.11625e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.62886418580456 (4.44357e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 5.628864176497276 (1.65349e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 5.62886417232988 (7.40362e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611609 (3.05261e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125619 (8.63391e-09% change) linmin: converged after 10 iterations. iteration 76: trace = 5.628864169899462 (4.01781e-09% change) linmin: converged after 18 iterations. iteration 77: trace = 5.628864169746225 (2.72233e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 5.628864169565629 (3.20839e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 5.628864169372546 (3.43023e-09% change) linmin: converged after 18 iterations. iteration 80: trace = 5.628864169215229 (2.79484e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 5.628864169115528 (1.77124e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 5.628864169056972 (1.04028e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 5.628864169025802 (5.53748e-10% change) linmin: converged after 7 iterations. iteration 84: trace = 5.628864169015142 (1.89395e-10% change) linmin: converged after 8 iterations. iteration 85: trace = 5.628864169011921 (5.72147e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.2988450527191162 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% total elapsed time for run: 5.847047567367554 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016753673553466797 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078474 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.60953779090269 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369743 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403813 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716676 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249221 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294311 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196533 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362643 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445939 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171114 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176239 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558819 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.4838691348752 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025639 (0.00110951% change) linmin: converged after 4 iterations. iteration 16: trace = 4.483805975020276 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715889 (0.000107795% change) linmin: converged after 3 iterations. iteration 18: trace = 4.483800147423097 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914428 (7.14815e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.483799489838405 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852839 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221835 (9.87179e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 4.483798337447185 (4.18785e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 4.483798287889884 (1.10525e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.48379827771194 (2.26994e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.48379827562259 (4.65978e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798275082743 (1.204e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 4.483798274908857 (3.87809e-09% change) linmin: converged after 15 iterations. iteration 29: trace = 4.48379827485738 (1.14807e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.4837982748355 (4.87965e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.48379827479505 (9.02144e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.483798274730371 (1.4425e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 4.483798274703624 (5.96517e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.483798274697118 (1.45118e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.672706127166748 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509364793 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.43252398877573 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.41341631617131 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019506292 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350058125 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733735445 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457686353 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753674171 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484599 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998275 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582743 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223626 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280718 (2.48273e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.398156022880025 (1.21506e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 4.39815575235615 (6.15085e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.3981556224991 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368086 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776388 (5.364e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.398155541734105 (2.51066e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009754 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105948 (4.32865e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748289 (8.13202e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692952 (1.25819e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.398155533670936 (5.00577e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 4.398155533656851 (3.20242e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.398155533649992 (1.55961e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.09885120391845703 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838449 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037746 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862876 (0.0125769% change) linmin: converged after 7 iterations. iteration 4: trace = 4.314511296930485 (0.00327244% change) linmin: converged after 16 iterations. iteration 5: trace = 4.314475376819534 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448445 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301329 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.314465863908676 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457113 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.314465855768227 (1.59669e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.314465855720843 (1.09827e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.314465855716319 (1.04845e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.04820537567138672 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869065 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762704 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461066 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922878 (0.00126456% change) linmin: converged after 6 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218786 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820414 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801437 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602304 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506426 (2.25258e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.256363888498843 (1.78163e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.047902584075927734 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891605 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314515 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317789 (0.0143588% change) linmin: converged after 4 iterations. iteration 4: trace = 4.22614266922581 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204369 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419119 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906933 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849789 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571846 (4.63151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.226095324437821 (3.17137e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.226095324430022 (1.84525e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.04956531524658203 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436597712 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957929 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.21830332395176 (0.0260571% change) linmin: converged after 4 iterations. iteration 4: trace = 4.217912996839663 (0.00925361% change) linmin: converged after 6 iterations. iteration 5: trace = 4.2178069626567 (0.00251393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.217779234764839 (0.000657403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.217772706280913 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251995 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111434 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564775 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377837 (4.43214e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362665 (3.59713e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.217772179355189 (1.77266e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.05408930778503418 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451161 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579899 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729061 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259354 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514315 (0.000307858% change) linmin: converged after 3 iterations. iteration 6: trace = 4.205423872193341 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220989 (9.98053e-07% change) linmin: converged after 13 iterations. iteration 8: trace = 4.205423828175204 (4.86463e-08% change) linmin: converged after 5 iterations. iteration 9: trace = 4.205423828042198 (3.16272e-09% change) linmin: converged after 5 iterations. iteration 10: trace = 4.205423828029007 (3.13672e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.04261636734008789 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576803 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703085 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295249 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887838 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911323 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.182592321790138 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 4.182592281925405 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.18259228103248 (1.83096e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.18259228102394 (2.04176e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.045035600662231445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921933 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845193 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.167978693502352 (0.0160192% change) linmin: converged after 6 iterations. iteration 4: trace = 4.1678332981875 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647445 (0.000484942% change) linmin: converged after 6 iterations. iteration 6: trace = 4.167811349625675 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608129 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546715 (1.69427e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.167811239290019 (3.53263e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.167811239280089 (2.38251e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.04443931579589844 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659227 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398399 (0.038731% change) linmin: converged after 4 iterations. iteration 4: trace = 4.169126573577485 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733771 (0.00231195% change) linmin: converged after 4 iterations. iteration 6: trace = 4.169023804109909 (0.000153096% change) linmin: converged after 15 iterations. iteration 7: trace = 4.169023362478118 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272603 (9.16414e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.169023320812371 (8.29986e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.169023319376691 (3.44368e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.36592e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16902331868502 (2.93157e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.16902331866883 (3.88334e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.0513453483581543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230138833 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085977992 (0.127731% change) linmin: converged after 8 iterations. iteration 3: trace = 4.184065231776855 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111325 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.17870816212099 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 4 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 28 iterations. iteration 8: trace = 4.178673127808474 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930172 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680718 (2.01618e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.178672966328761 (4.1525e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170062 (2.77289e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096562 (1.75892e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089345 (1.72718e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.05531167984008789 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590649381948 (1.05654% change) linmin: converged after 9 iterations. iteration 2: trace = 4.183207288836179 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.15660786144675 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125802194274 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.14166134336903 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875801526 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445195259 (0.00179738% change) linmin: converged after 6 iterations. iteration 8: trace = 4.141013513514483 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.14101295478792 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733243 (5.72456e-06% change) linmin: converged after 21 iterations. iteration 11: trace = 4.141012607970377 (2.65063e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.141012579996683 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178471 (4.39074e-08% change) linmin: converged after 14 iterations. iteration 14: trace = 4.141012578052829 (3.0341e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041205 (2.80694e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.141012578036994 (1.01687e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.13698053359985352 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.14756404349616 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403505422 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545649 (0.0160227% change) linmin: converged after 11 iterations. iteration 4: trace = 4.141348425305289 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051612 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855832 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897512 (4.72872e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.1413304057217 (4.24531e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701248 (4.93853e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.047028541564941406 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.21918399878927 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 9 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 6 iterations. iteration 5: trace = 4.213522375060024 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044295 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642286 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.21352137603991 (1.42963e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.213521375952432 (2.07614e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.213521375942172 (2.43507e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.12241220474243164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252167 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771339 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079406 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185593 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323273 (0.00123443% change) linmin: converged after 4 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208688 (5.42823e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.345426131439355 (8.48638e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.345426090356744 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357085 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96443e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.345426086022096 (7.44566e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.11492085456848145 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222236 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170424 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449696 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153532 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712891 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858126 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436565 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992154 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539728 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.48388337091092 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156653 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625654 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.483799885096504 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938857 (6.82808e-06% change) linmin: converged after 14 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289091 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128212 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624275 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127854 (1.44887e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611406 (3.38206e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.483798754481999 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451544 (6.79218e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798754422126 (6.56101e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798754387683 (7.68158e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798754356928 (6.85913e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.483798754303916 (1.1823e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.483798754278567 (5.65358e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.483798754271721 (1.52685e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.483798754265765 (1.32837e-10% change) large trace change predicted (4.81956e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.483798754244154 (4.81983e-10% change) large trace change predicted (2.68933e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123574 (2.68922e-09% change) large trace change predicted (9.03484e-09%) linmin: converged after 4 iterations. iteration 34: trace = 4.483798753718466 (9.03495e-09% change) large trace change predicted (3.80028e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.483798752014515 (3.80024e-08% change) large trace change predicted (1.44438e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538726 (1.44426e-07% change) large trace change predicted (4.6333e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.483798724778243 (4.63011e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696726634 (6.25622e-07% change) linmin: converged after 6 iterations. iteration 39: trace = 4.483798668084273 (6.38797e-07% change) linmin: converged after 8 iterations. iteration 40: trace = 4.483798643147862 (5.56145e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 4.483798621877794 (4.74376e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 6 iterations. iteration 42: trace = 4.483798561199338 (1.35328e-06% change) large trace change predicted (5.83358e-06%) linmin: converged after 7 iterations. iteration 43: trace = 4.483798313962898 (5.514e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 4.483798101265787 (4.74368e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.483798058281279 (9.58663e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 4.483798047910916 (2.31285e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.483798039714686 (1.82797e-07% change) linmin: converged after 10 iterations. iteration 48: trace = 4.483798036699413 (6.72482e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.483798033244149 (7.70611e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.483798027631968 (1.25166e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 4.48379802531334 (5.17112e-08% change) linmin: converged after 20 iterations. iteration 52: trace = 4.483798024489694 (1.83694e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.483798024240027 (5.5682e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.483798024202096 (8.45947e-10% change) linmin: converged after 12 iterations. iteration 55: trace = 4.4837980241927 (2.09555e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.483798024185351 (1.63916e-10% change) large trace change predicted (3.44422e-10%) linmin: converged after 3 iterations. iteration 57: trace = 4.483798024169907 (3.44432e-10% change) linmin: converged after 2 iterations. iteration 58: trace = 4.483798024159173 (2.39407e-10% change) linmin: converged after 6 iterations. iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.430591344833374 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889757 at Vector3<0.0, 0.0, 0.0> to 0.720091820456399 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480827 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005068 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526799 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822734 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330749 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981636 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% total elapsed time for run: 2.065129280090332 done /tmp/meepFBAM2J/test_sq_rods-0: 7.91s /tmp/meepFBAM2J/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.004653215408325195 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390217933 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031214 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897934786 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907767 (6.90243% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2726168891851904 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210206 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716452751 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472876 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135484 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972941 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755898 (0.046255% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2687078756607252 (0.014923% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2686863756603578 (0.00800157% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2686684185721623 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148080031 (0.00424464% change) linmin: converged after 17 iterations. iteration 16: trace = 0.268652805217613 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505034628 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755889 (0.000193421% change) linmin: converged after 6 iterations. iteration 19: trace = 0.2686501381175699 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710278 (0.000107667% change) linmin: converged after 10 iterations. iteration 21: trace = 0.2686495704063583 (0.000103653% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2686494341954686 (5.07021e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830081793 (1.90536e-05% change) linmin: converged after 8 iterations. iteration 24: trace = 0.2686493569011658 (9.71788e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 0.2686493401670464 (6.22898e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250441 (5.26411e-06% change) linmin: converged after 14 iterations. iteration 27: trace = 0.2686493177550091 (3.07838e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 0.2686493141307851 (1.34905e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2686493133317617 (2.97422e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2686493131406507 (7.11377e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 0.2686493130940811 (1.73347e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 0.2686493130827958 (4.20076e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763734 (2.39063e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130709365 (2.02376e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.2686493130667552 (1.55642e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2686493130652058 (5.76726e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.2686493130645825 (2.32046e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.2686493130639919 (2.19814e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635764 (1.54684e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631483 (1.59333e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.7212982177734375 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131378938 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019352 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640543 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602481 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521678972 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178495 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319422 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.606940339078468 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212686 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656933 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060074 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452269 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828906 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207727 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585751 (2.20243e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 0.6068839789046578 (1.03733e-05% change) linmin: converged after 19 iterations. iteration 17: trace = 0.6068839547900545 (3.97351e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 0.606883945245713 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137261 (4.83122e-07% change) linmin: converged after 20 iterations. iteration 20: trace = 0.6068839407794877 (2.52806e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027495 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340793 (6.07481e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282135 (1.74442e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969785 (5.14679e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.6068839394888982 (1.33144e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859072 (4.92836e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.6068839394838377 (3.41015e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 0.6068839394826209 (2.005e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.6068839394820108 (1.00525e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.2156062126159668 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 21 iterations. iteration 1: trace = 1.264470565178877 (5.39004% change) linmin: converged after 7 iterations. iteration 2: trace = 1.235883601252425 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577504285 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286461312 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361840383 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357026515 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436585433 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468525546 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294329952 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238046542 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296099763 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466956222 (0.00611277% change) linmin: converged after 4 iterations. iteration 13: trace = 1.20771981883369 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829505016 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669037 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394522 (0.000124391% change) linmin: converged after 3 iterations. iteration 17: trace = 1.20770478657245 (3.83224e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.207704628833406 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628058 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.20770453578298 (2.55403e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.20770451896597 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350381 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33351e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.207704491987183 (4.55946e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731018 (2.69616e-07% change) linmin: converged after 28 iterations. iteration 26: trace = 1.207704487630348 (9.11373e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187941 (3.66321e-08% change) linmin: converged after 22 iterations. iteration 28: trace = 1.207704487019389 (1.39564e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 1.207704486953286 (5.4734e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.207704486927153 (2.16387e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.207704486920015 (5.91099e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917501 (2.08107e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.6041355133056641 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.937534840488701 (4.15315% change) linmin: converged after 9 iterations. iteration 2: trace = 1.902810987196174 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.892740288337234 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677874298 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637823674 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862615 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.88374243132957 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285428812 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588672 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159753 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357727 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103126 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261362 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.88319388727241 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554692 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574134 (1.55045e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.883192794589782 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.88319275915188 (1.8818e-06% change) linmin: converged after 18 iterations. iteration 19: trace = 1.88319274804275 (5.89909e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 1.883192744742946 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542449 (6.3748e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093152 (2.38583e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851258 (3.18212e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827557 (1.25856e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.883192742817959 (5.09625e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 1.8831927428148 (1.67784e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.3038296699523926 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 8 iterations. iteration 1: trace = 2.691331240744543 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720196588 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792282935 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156456098 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929163081 (0.618196% change) linmin: converged after 6 iterations. iteration 6: trace = 2.625855470408069 (0.538767% change) linmin: converged after 7 iterations. iteration 7: trace = 2.618595095218605 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.61486394842613 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559982935209 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632655308 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668710099 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524589415 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071025088 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149644 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488467 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153520022 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282875 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130106353 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970478 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033706994 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019423 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624403 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.60411450033653 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417369 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544148 (7.768e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 2.604108092320789 (5.12737e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 2.604107084206202 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.604106651525088 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464837 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639458 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.60410613975316 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195845 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604111 (1.86597e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 2.604105990411353 (1.35143e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 2.604105970704682 (7.56754e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023471 (3.33366e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.6041059578616 (1.5982e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505164 (9.04892e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483296 (7.76415e-08% change) linmin: converged after 13 iterations. iteration 40: trace = 2.604105952144361 (5.14163e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 2.604105951136476 (3.87037e-08% change) linmin: converged after 19 iterations. iteration 42: trace = 2.604105950573165 (2.16316e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 2.604105950242607 (1.26937e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 2.604105950072069 (6.54884e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 2.60410594997155 (3.86001e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909488 (2.38325e-09% change) linmin: converged after 5 iterations. iteration 47: trace = 2.60410594987232 (1.42727e-09% change) linmin: converged after 7 iterations. iteration 48: trace = 2.604105949849335 (8.82651e-10% change) linmin: converged after 10 iterations. iteration 49: trace = 2.604105949833428 (6.10837e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821816 (4.4593e-10% change) linmin: converged after 13 iterations. iteration 51: trace = 2.604105949814572 (2.78175e-10% change) linmin: converged after 15 iterations. iteration 52: trace = 2.604105949811256 (1.27304e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.3791208267211914 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069799636 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355655957 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549844526 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698874345 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158375775 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784713104 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703718 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.17134496696653 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607468 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397914 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524595 (0.000760798% change) linmin: converged after 3 iterations. iteration 12: trace = 3.170977067782426 (0.000242409% change) linmin: converged after 4 iterations. iteration 13: trace = 3.170972828710278 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290356 (4.99664e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 3.170970553226566 (2.17934e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 3.170970265011879 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164110032 (3.18205e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317424 (1.34951e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 3.170970104220449 (5.39172e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225263 (3.15209e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061036 (1.94396e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145857 (9.19334e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948763 (3.77517e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31005e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 3.170970083397897 (4.27167e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 3.17097008335296 (1.41712e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 3.17097008333502 (5.65753e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 3.170970083326961 (2.54174e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.2384049892425537 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766635764 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297972006 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008004307 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047493 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312591 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.66638081693654 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636337 (0.00444774% change) linmin: converged after 5 iterations. iteration 8: trace = 3.666150582978095 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642377 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925772 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.666116142667214 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266006 (1.81228e-05% change) linmin: converged after 18 iterations. iteration 13: trace = 3.66611525803746 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.66611519051509 (1.8418e-06% change) linmin: converged after 15 iterations. iteration 15: trace = 3.666115174200301 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279941 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850357 (3.89945e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 3.666115167237356 (1.67207e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 3.666115166888858 (9.50592e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 3.666115166571144 (8.66623e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 4 iterations. iteration 21: trace = 3.666115165884804 (1.87212e-08% change) large trace change predicted (4.39602e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.66611516427318 (4.396e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161715032 (6.97782e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.66611515930568 (6.57195e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 3.666115157581619 (4.70269e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.66611515637112 (3.30186e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 3.666115155743588 (1.71171e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 3.666115155488844 (6.94863e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416274 (1.97947e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 3.66611515539475 (5.8711e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388822 (1.61689e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.3878800868988037 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358292035 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438932 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16577641413557 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.164897072709951 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358474 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568772 (0.00460398% change) linmin: converged after 4 iterations. iteration 7: trace = 4.164369177257903 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357556 (0.00059159% change) linmin: converged after 4 iterations. iteration 9: trace = 4.164337522751026 (0.000168541% change) linmin: converged after 5 iterations. iteration 10: trace = 4.164335843810516 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889441 (1.2269e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.164335230990685 (2.44694e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.16433520253919 (6.83218e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 4.16433518775648 (3.54984e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 4.164335171932652 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.16433512934348 (1.02271e-06% change) large trace change predicted (8.89366e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759041199 (8.89223e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 18: trace = 4.163167577853347 (0.028032% change) linmin: converged after 6 iterations. iteration 19: trace = 4.163166867716649 (1.70576e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 4.163166155173582 (1.71154e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165440428856 (1.71683e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.163164723697292 (1.7216e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.16316400516715 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163285001877 (1.72985e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.163162563341739 (1.73344e-05% change) linmin: converged after 9 iterations. iteration 26: trace = 4.163161840305374 (1.73675e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161115991569 (1.73982e-05% change) linmin: converged after 20 iterations. iteration 28: trace = 4.163160390480732 (1.74269e-05% change) linmin: converged after 8 iterations. iteration 29: trace = 4.163159663823327 (1.74545e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.163158936093581 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158207312479 (1.75055e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157477501239 (1.75302e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.1631567466695 (1.75547e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.163156014816309 (1.75793e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.163155281924494 (1.76042e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.163154547988507 (1.76293e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 4.163153812969774 (1.76553e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.163153076844683 (1.76819e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.163152339568214 (1.77096e-05% change) linmin: converged after 10 iterations. iteration 40: trace = 4.163151601094802 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150861366489 (1.77685e-05% change) linmin: converged after 18 iterations. iteration 42: trace = 4.163150120337079 (1.77997e-05% change) linmin: converged after 9 iterations. iteration 43: trace = 4.163149377947414 (1.78324e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.163148634138187 (1.78665e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 4.163147888839058 (1.79023e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 4.163147141981497 (1.79397e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.163146393494435 (1.79789e-05% change) linmin: converged after 16 iterations. iteration 48: trace = 4.163145643304694 (1.80198e-05% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 79.5112%) iteration 49: trace = 4.163144891337117 (1.80625e-05% change) iteration 50: trace = 4.163144137514863 (1.8107e-05% change) iteration 51: trace = 4.163143381941426 (1.81491e-05% change) iteration 52: trace = 4.163142623825554 (1.82102e-05% change) iteration 53: trace = 4.163141863091526 (1.82731e-05% change) iteration 54: trace = 4.163141099662234 (1.83378e-05% change) iteration 55: trace = 4.163140333459408 (1.84044e-05% change) iteration 56: trace = 4.163139564403941 (1.8473e-05% change) iteration 57: trace = 4.163138792415885 (1.85434e-05% change) iteration 58: trace = 4.163138017414674 (1.86158e-05% change) iteration 59: trace = 4.163137239319036 (1.86901e-05% change) iteration 60: trace = 4.163136458047249 (1.87664e-05% change) iteration 61: trace = 4.16313567351715 (1.88447e-05% change) iteration 62: trace = 4.163134885646228 (1.89249e-05% change) iteration 63: trace = 4.163134094351706 (1.90072e-05% change) iteration 64: trace = 4.163133299550624 (1.90914e-05% change) iteration 65: trace = 4.163132501159859 (1.91776e-05% change) iteration 66: trace = 4.16313169909625 (1.92659e-05% change) iteration 67: trace = 4.163130893276701 (1.93561e-05% change) iteration 68: trace = 4.163130083618064 (1.94483e-05% change) iteration 69: trace = 4.163129270037484 (1.95425e-05% change) resetting CG direction... switching back to exact line minimization large trace change predicted (0.200612%) linmin: converged after 3 iterations. iteration 70: trace = 4.154754658417025 (0.201364% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151731269604584 (0.0727959% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150328240387421 (0.0337995% change) linmin: converged after 3 iterations. iteration 73: trace = 4.14956486373791 (0.0183949% change) linmin: converged after 4 iterations. iteration 74: trace = 4.149045718210945 (0.0125116% change) linmin: converged after 5 iterations. iteration 75: trace = 4.148541212773002 (0.0121603% change) linmin: converged after 3 iterations. iteration 76: trace = 4.147913444774686 (0.0151334% change) linmin: converged after 4 iterations. iteration 77: trace = 4.146963677401492 (0.0229001% change) linmin: converged after 4 iterations. iteration 78: trace = 4.14541984175998 (0.037235% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768480251383 (0.0398437% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813635908667 (0.0230456% change) linmin: converged after 3 iterations. iteration 81: trace = 4.142427722036522 (0.00931569% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309329185445 (0.0028581% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270293234598 (0.000942376% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259229660712 (0.00026709% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254099857186 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.14225182676353 (5.48758e-05% change) linmin: converged after 4 iterations. iteration 87: trace = 4.142250855730689 (2.34422e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250459356503 (9.56905e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 4.142250017004796 (1.0679e-05% change) linmin: converged after 6 iterations. iteration 90: trace = 4.142249200470664 (1.97123e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059937437 (2.75342e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.142246315297768 (4.21182e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 4.142245417605519 (2.16716e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 4.142245181167817 (5.70796e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107972046 (1.76706e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088107263 (4.79566e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.1422450768963 (2.70649e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071671102 (1.26144e-07% change) linmin: converged after 4 iterations. iteration 99: trace = 4.142245069757145 (4.62058e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069001788 (1.82354e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068688526 (7.56262e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.1422450684276 (6.29913e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.142245068026302 (9.68795e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067242191 (1.89296e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287717 (2.30424e-08% change) linmin: converged after 19 iterations. iteration 106: trace = 4.142245065572606 (1.72639e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.14224506525974 (7.55306e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.142245065162634 (2.34427e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 4.142245065142538 (4.85167e-10% change) linmin: converged after 2 iterations. iteration 110: trace = 4.142245065136626 (1.42718e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 4.142245065134211 (5.83007e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 1.0437777042388916 zparity:, 8, 0.9982486290502234, -0.9895791223067464, -0.9942480254111825, -0.9858374395420105 yparity:, 8, -0.9998633636229571, 1.0000002772664356, -1.00000949461967, -0.9998446078239382 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874785 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826571 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438777 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658710963539824 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855414 (0.000513549% change) linmin: converged after 5 iterations. iteration 6: trace = 4.658683256679787 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128439 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170738 (3.60526e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.658682176904258 (1.03605e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.658682160894769 (3.43648e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157650999 (6.96285e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.658682156823346 (1.77658e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.65868215662481 (4.26164e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534671 (1.93485e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472839 (1.32725e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.658682156406841 (1.41666e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 4.658682156300639 (2.27966e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170642 (2.79041e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 4.658682156060237 (2.3699e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 4.658682156004982 (2.56768e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 4.658682156001957 (6.49354e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.12503480911254883 zparity:, 9, 0.9987530861905011, -0.9924225574132043, -0.9954159207906835, -0.9908510257229064 yparity:, 9, -0.9998459146893178, 1.0000015100368072, -1.0000160082783154, -0.99984096711267 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684273 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996151 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030682 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241142 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252774 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954247 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.22582213202447 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941997 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503548 (7.16413e-07% change) linmin: converged after 6 iterations. iteration 10: trace = 5.225821946532255 (2.67351e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 5.225821943078978 (6.6081e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.22582194212544 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909174 (4.1384e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.225821941839992 (1.32387e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 5.225821941820718 (3.68812e-10% change) linmin: converged after 9 iterations. iteration 16: trace = 5.225821941816024 (8.98236e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.13878321647644043 zparity:, 10, 0.9990584518844128, -0.9941385054596761, -0.9961444762112307, -0.9934909746544959 yparity:, 10, -0.9998332718977193, 1.0000025246212403, -1.000023092333591, -0.9998348121388908 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654954 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596228 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013054 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146362 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.84497398445039 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658918 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856538 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036916 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184177 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460047 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54757e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596865 (1.77272e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 5.844970311355162 (4.13522e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 5.844970311278128 (1.31796e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.844970311258019 (3.44028e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253997 (6.88209e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.19103789329528809 zparity:, 11, 0.9992573509363801, -0.9952507980579969, -0.9966396089669386, -0.9950905165813094 yparity:, 11, -0.9998264814151204, 1.0000033584035082, -1.0000301573652741, -0.9998331550674879 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106422 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904508 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.351049775820151 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 4.356157064437866 done /tmp/meepFBAM2J/test_strip-0: 4.36s /tmp/meepFBAM2J/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0025124549865722656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2118213176727295 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8179986476898193 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.18744277954101562 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1491684913635254 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.20983123779296875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3694949150085449 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.20992422103881836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.18007588386535645 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1480851173400879 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.9407069683074951 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19335079193115234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.29945969581604004 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.2807784080505371 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.18287348747253418 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2438652515411377 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7486963272094727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 5.378259658813477 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepFBAM2J/test_subpixel_averaging-0-epsilon.h5... /tmp/meepFBAM2J/test_subpixel_averaging-0: 5.40s /tmp/meepFBAM2J/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.08370161056518555 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579247 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233743 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397523720697594 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543338 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370426 (3.67554% change) linmin: converged after 8 iterations. iteration 6: trace = 2.048480958527553 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743746898 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675579469 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177313777 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.04046661825746 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065978462 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.04035411128717 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825733 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970399 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622544 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340868 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845975 (4.68035e-06% change) linmin: converged after 16 iterations. iteration 18: trace = 2.040335672642782 (1.8724e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 2.040335654413311 (8.93455e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 2.040335648243751 (3.0238e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040335646291804 (9.56679e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.040335645616527 (3.30964e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 2.040335645457562 (7.79111e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040335645416267 (2.02393e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.04033564540416 (5.93393e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.040335645401662 (1.22453e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.04033564540094 (3.53907e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 5.6888322830200195 total elapsed time for run: 5.772698402404785 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.15587925910949707 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965929 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771011 (22.0544% change) linmin: converged after 7 iterations. iteration 4: trace = 2.981724017015067 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662621 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471263 (4.77209% change) linmin: converged after 5 iterations. iteration 7: trace = 2.552598023165622 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499992242115593 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.481050506315762 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473183610582626 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990919 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895059 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620014 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373043 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297645 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 2.47008672638708 (4.93464e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470086678531696 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747163 (1.28678e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 2.470086621328254 (1.02907e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 2.470086599230556 (8.94612e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12577e-07% change) linmin: converged after 7 iterations. iteration 23: trace = 2.470086560435123 (7.58034e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 2.470086542626183 (7.20984e-07% change) linmin: converged after 5 iterations. iteration 25: trace = 2.470086525398654 (6.97446e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.470086508443809 (6.86407e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 2.470086491432143 (6.88707e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 2.47008647397101 (7.06904e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 2.470086455551511 (7.45703e-07% change) linmin: converged after 5 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470086412632984 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334097 (1.10518e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.47008635057863 (1.40705e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 2.470086303711516 (1.89739e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 2.470086256803579 (1.89904e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 2.470086237769363 (7.70589e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.470086227711356 (4.07193e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.470086220769943 (2.81019e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 2.470086215312814 (2.20929e-07% change) linmin: converged after 5 iterations. iteration 40: trace = 2.47008621070389 (1.8659e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 2.470086206637609 (1.64621e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 2.470086202945004 (1.49493e-07% change) linmin: converged after 6 iterations. iteration 43: trace = 2.470086199523805 (1.38505e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 2.470086196306478 (1.30252e-07% change) linmin: converged after 7 iterations. iteration 45: trace = 2.470086193246965 (1.23863e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 2.47008619031146 (1.18842e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 2.470086187474285 (1.14861e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 2.470086184715303 (1.11696e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 2.470086182017748 (1.09209e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 2.4700861793676 (1.0729e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752158 (1.05885e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 2.470086174160272 (1.04931e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580697 (1.04433e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 2.47008616900311 (1.04352e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 2.470086166416666 (1.04711e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 2.470086163810144 (1.05524e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 2.470086161171722 (1.06815e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488299 (1.08637e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745301 (1.11049e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 2.470086152925971 (1.14139e-07% change) linmin: converged after 9 iterations. iteration 61: trace = 2.470086150010644 (1.18025e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 2.470086146975617 (1.22871e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470086143792007 (1.28887e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 2.470086140422467 (1.36414e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818574 (1.45901e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 2.470086132913965 (1.58076e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 2.470086128613795 (1.7409e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 2.470086123775036 (1.95894e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 2.470086118170339 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08617e-06%) linmin: converged after 6 iterations. iteration 70: trace = 2.4700859924031 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449085 (3.03447e-06% change) linmin: converged after 9 iterations. iteration 72: trace = 2.470085857051608 (2.44516e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 2.470085794433866 (2.53504e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 2.47008568465571 (4.44431e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666271439 (7.44277e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659656401 (2.67806e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 2.470085656851762 (1.13544e-07% change) linmin: converged after 11 iterations. iteration 78: trace = 2.470085655578595 (5.15434e-08% change) linmin: converged after 13 iterations. iteration 79: trace = 2.470085654979452 (2.42559e-08% change) linmin: converged after 8 iterations. iteration 80: trace = 2.470085654691839 (1.16438e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 2.470085654552126 (5.65621e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.470085654484016 (2.75741e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654450713 (1.34822e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.470085654434439 (6.58847e-10% change) linmin: converged after 4 iterations. iteration 85: trace = 2.470085654426459 (3.23059e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 2.470085654422856 (1.45861e-10% change) linmin: converged after 3 iterations. iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 12.821642637252808 total elapsed time for run: 12.977707624435425 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.05382585525512695 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556455 (194.149% change) linmin: converged after 12 iterations. iteration 2: trace = 3.363324203114518 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763886 (19.947% change) linmin: converged after 7 iterations. iteration 4: trace = 2.542376250784825 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306857 (3.2827% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396838326976526 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615576 (2.28738% change) linmin: converged after 5 iterations. iteration 8: trace = 2.31389728125012 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300812929609132 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307679614 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109431983 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222392094 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668029893 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588994 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338955 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.293694194409696 (0.00280739% change) linmin: converged after 11 iterations. iteration 17: trace = 2.293618199025478 (0.00331329% change) linmin: converged after 4 iterations. iteration 18: trace = 2.293528069880244 (0.00392964% change) linmin: converged after 5 iterations. iteration 19: trace = 2.293451007229581 (0.00336006% change) linmin: converged after 6 iterations. iteration 20: trace = 2.29340643253423 (0.00194358% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293384561761906 (0.000953642% change) linmin: converged after 4 iterations. iteration 22: trace = 2.293373743492525 (0.000471717% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474412943 (0.000142545% change) linmin: converged after 4 iterations. iteration 24: trace = 2.293369520041892 (4.16144e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 2.293369112325264 (1.77781e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.293368934280699 (7.76345e-06% change) linmin: converged after 15 iterations. iteration 27: trace = 2.293368844736082 (3.9045e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 2.29336882107163 (1.03186e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820579976 (2.14381e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 2.293368820562555 (7.59613e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 5.146535158157349 total elapsed time for run: 5.200517892837524 done /tmp/meepFBAM2J/test_symmetry_overlap-0: 24.62s /tmp/meepFBAM2J/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0026199817657470703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972896 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652262 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223164 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935823 (1.62145% change) linmin: converged after 6 iterations. iteration 7: trace = 4.525096086376153 (1.06913% change) linmin: converged after 7 iterations. iteration 8: trace = 4.490878663187869 (0.75904% change) linmin: converged after 5 iterations. iteration 9: trace = 4.47197267315708 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096503293 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855008 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636341 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858748 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036779 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637669 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333837 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544555 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036334 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.452989908418395 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844784 (0.00355295% change) linmin: converged after 4 iterations. iteration 22: trace = 4.452615931157512 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453891 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.452296186462635 (0.0033444% change) linmin: converged after 5 iterations. iteration 25: trace = 4.452144807934248 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.452028010938923 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503806 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675585 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809178 (0.000110488% change) linmin: converged after 4 iterations. iteration 30: trace = 4.451951355107944 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388858661 (2.1704e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.451949935124787 (1.01918e-05% change) linmin: converged after 17 iterations. iteration 33: trace = 4.451949721654948 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638044333 (1.87807e-06% change) linmin: converged after 10 iterations. iteration 35: trace = 4.451949603091121 (7.85121e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 4.451949587125339 (3.58624e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 4.451949578414736 (1.95658e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 4.451949573497765 (1.10445e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787226 (6.08843e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 4.451949569043665 (3.9164e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780623 (5.08326e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367886 (9.91192e-08% change) large trace change predicted (2.08751e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074408 (2.08751e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 4.451949540842983 (2.74743e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 4.451949529999652 (2.43564e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238097 (1.51879e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 4.451949519159004 (9.16249e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.451949516240804 (6.55488e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.451949514432186 (4.06253e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681802 (1.68552e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 4.451949513453069 (5.13781e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 4.45194951339295 (1.3504e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373063 (4.46708e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.45194951336368 (2.10775e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.45194951335844 (1.17687e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 4.4519495133559 (5.70579e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.28495264053344727 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467088697 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.47004955757308 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947758968 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.46732914258891 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419394401 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349496484 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292011072 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095566394 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970894671 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380057723 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568828668 (0.0378343% change) linmin: converged after 7 iterations. iteration 12: trace = 4.460811970282606 (0.0458914% change) linmin: converged after 5 iterations. iteration 13: trace = 4.459584283475678 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661361837 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458964421196186 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960311353 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092714899 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032321756 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161063318 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017333146 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.458895960737981 (2.36963e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419236236 (1.21443e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.458895086269089 (7.46748e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672862503 (9.2715e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.458893966773802 (1.58355e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812030476 (2.58975e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509284777 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613134 (2.32271e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.458889874545046 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685373 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435792 (2.1586e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 4.458889488492753 (8.50953e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720157 (3.31307e-07% change) linmin: converged after 20 iterations. iteration 34: trace = 4.458889468163889 (1.24611e-07% change) linmin: converged after 23 iterations. iteration 35: trace = 4.458889466116732 (4.59118e-08% change) linmin: converged after 15 iterations. iteration 36: trace = 4.458889465242262 (1.96118e-08% change) linmin: converged after 19 iterations. iteration 37: trace = 4.458889464752221 (1.09902e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 4.458889464463179 (6.48237e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 4.458889464280353 (4.10026e-09% change) linmin: converged after 9 iterations. iteration 40: trace = 4.458889464100627 (4.03072e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 4.458889463833423 (5.99261e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 4.458889463451229 (8.57152e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 4.458889462992351 (1.02913e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 4.458889462497361 (1.11012e-08% change) linmin: converged after 6 iterations. iteration 45: trace = 4.458889462139589 (8.02378e-09% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458889461932944 (4.63446e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 4.458889461821264 (2.50465e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773404 (1.07337e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.458889461754984 (4.13106e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749089 (1.32204e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 4.458889461747202 (4.23085e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.2926650047302246 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134806156 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356465116 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723193555 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957766 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223098 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539142 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618848 (0.0027408% change) linmin: converged after 5 iterations. iteration 8: trace = 4.481900761942839 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982582 (0.00181164% change) linmin: converged after 7 iterations. iteration 10: trace = 4.481727172834765 (0.00206155% change) linmin: converged after 4 iterations. iteration 11: trace = 4.481640274020339 (0.00193898% change) linmin: converged after 5 iterations. iteration 12: trace = 4.481586984826237 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482778 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049644 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259473 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617264 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.48155467543528 (1.8561e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.481554649662217 (5.75092e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.481554642967501 (1.49384e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.481554640848132 (4.72909e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.48155464016311 (1.52854e-08% change) linmin: converged after 14 iterations. iteration 23: trace = 4.48155463985519 (6.87083e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.48155463968686 (3.75607e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.481554639614043 (1.62482e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.481554639589961 (5.3736e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 4.481554639582895 (1.57656e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580309 (5.77116e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.22773528099060059 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.543019728981141 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824073 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322886904 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374218 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372581488 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483913888 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349621 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839052 (0.000360962% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534250296428466 (0.000134795% change) linmin: converged after 4 iterations. iteration 10: trace = 4.534247094429852 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850399098 (4.94907e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.534242751424718 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054214 (3.40161e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 4.534240295109202 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207022 (9.08426e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.534239659653624 (4.93034e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534239494917881 (3.63315e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.534239415265837 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667364 (7.85104e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.534239370364455 (2.0517e-07% change) linmin: converged after 12 iterations. iteration 21: trace = 4.534239368024675 (5.16025e-08% change) linmin: converged after 8 iterations. iteration 22: trace = 4.534239367497577 (1.16248e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 4.534239367336914 (3.54332e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 4.534239367284076 (1.16532e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.534239367267453 (3.66594e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.53423936726149 (1.31516e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.534239367259119 (5.23006e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.09688377380371094 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.62140499236056 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347471986 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696469292 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813616125 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375084 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207514 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312677 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687505 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209914 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307773 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156617 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851984 (8.68475e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.607274338045175 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828301 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.607273491056451 (4.24919e-06% change) linmin: converged after 27 iterations. iteration 16: trace = 4.607273423326224 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454783 (5.8324e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999416 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222213 (2.33917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.607273363837909 (2.03685e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.607273356409589 (1.6123e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.607273352713706 (8.02185e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035124 (3.64333e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.607273350488977 (1.1854e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.607273350318335 (3.70376e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261741 (1.22836e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.78101e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217992 (3.71463e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.60727335020926 (1.8952e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.607273350205851 (7.3988e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.2724597454071045 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286199994 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559271376 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826102063 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938258768 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777788 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657411795586118 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536611 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992657 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.65514846892051 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042657 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.65466529695931 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969561 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102693 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988872 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756919 (2.36376e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 4.654584007912178 (8.2466e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 4.654583872099873 (2.91782e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003333 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952179 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788808 (3.90225e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229737 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.65458375413065 (8.80656e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195744 (4.15699e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.654583750968559 (2.63651e-08% change) linmin: converged after 23 iterations. iteration 25: trace = 4.654583749955047 (2.17745e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.654583749144852 (1.74064e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 4.654583748504241 (1.3763e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.654583748161549 (7.36245e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.654583748037946 (2.65552e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.654583747984042 (1.15807e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.654583747952655 (6.74332e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 4.654583747932773 (4.27146e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63043e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 4.654583747914254 (1.34832e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.654583747911477 (5.96497e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.12481927871704102 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594805 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794314987 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612483 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655317 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186978972 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112027 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920406 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553676 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529449 (3.44832e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.657802747123332 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154885 (3.5203e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 4.657802512506884 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.657802482770965 (6.38411e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850075 (4.92097e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.657802440944291 (4.05895e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135108 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141324 (2.36029e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226848 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927233 (4.93712e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.65780240438896 (3.30257e-08% change) linmin: converged after 17 iterations. iteration 22: trace = 4.657802403523625 (1.85782e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 4.657802403119733 (8.6713e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 4.657802402939375 (3.87219e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.657802402884992 (1.16755e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.657802402867801 (3.69092e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.657802402862909 (1.0503e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.10038304328918457 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728067781 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935696863 (0.0539828% change) linmin: converged after 6 iterations. iteration 3: trace = 4.668592631124202 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611687 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138847 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918369823 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297308879 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.66710588950992 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686737 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975174 (4.06615e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.667096867241803 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921188 (6.4777e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.667096423536345 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918459 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252444997 (1.91711e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.667096174501559 (1.67006e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228559 (9.91473e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109588011 (3.99404e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.667096103668016 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434464 (4.78574e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.667096100309835 (2.4097e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 4.667096099663391 (1.38511e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 4.667096099284757 (8.11284e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.667096099089912 (4.17487e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.667096099007758 (1.76028e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.667096098964763 (9.21235e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.667096098939575 (5.39709e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919739 (4.25011e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.667096098902278 (3.74123e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892165 (2.16702e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.667096098888666 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.32219767570495605 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.68724409303374 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.684501121648906 (0.058537% change) linmin: converged after 5 iterations. iteration 3: trace = 4.68286993057846 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068317714 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640009308 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106921903 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472565953 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725628 (0.000171497% change) linmin: converged after 5 iterations. iteration 9: trace = 4.681618077223676 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737997818 (2.86061e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.681615858546149 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378741 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362249 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039711974 (3.30335e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.681614869241988 (3.64126e-06% change) linmin: converged after 16 iterations. iteration 16: trace = 4.68161472623034 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 4.681614620951711 (2.01837e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 4.68161461585685 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123162 (7.97521e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813802 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.681614605684866 (1.98441e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.68161460528561 (8.52816e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099326 (3.97905e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.681614605024981 (1.58802e-09% change) linmin: converged after 6 iterations. iteration 28: trace = 4.681614605000403 (5.24983e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.681614604988978 (2.44051e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 4.681614604983466 (1.17738e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.681614604980838 (5.6137e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.2992730140686035 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233681 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398481 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.70107086068539 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701948 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544948 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100516 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.6999786169586 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548884 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.69996900063083 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929755 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319406983 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426728 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699679 (1.78028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 4.69996256078505 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691017 (1.54915e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 4.699961225600784 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583672 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235763 (3.60318e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.699960644725965 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.69996059288988 (1.1029e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 4.699960564066774 (6.13263e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 4.699960551853533 (2.59858e-07% change) linmin: converged after 10 iterations. iteration 23: trace = 4.699960547235491 (9.82571e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971041 (2.69034e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.699960545396203 (1.22307e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 4.699960545062297 (7.10443e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.699960544894044 (3.5799e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.699960544831159 (1.33799e-09% change) linmin: converged after 11 iterations. iteration 29: trace = 4.6999605448051 (5.54455e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792849 (2.60654e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.69996054478645 (1.36157e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.699960544782284 (8.86296e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.11417722702026367 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835507106 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797494394 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191088676 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.72032520151121 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799315 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630348262 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321786709 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657791618 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.719807413356836 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508683381 (0.000358165% change) linmin: converged after 4 iterations. iteration 11: trace = 4.719779814606182 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348474473 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280309288 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 4 iterations. iteration 14: trace = 4.719718876296148 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 5 iterations. iteration 15: trace = 4.719637476239784 (0.0017247% change) linmin: converged after 7 iterations. iteration 16: trace = 4.719538716018542 (0.00209256% change) linmin: converged after 5 iterations. iteration 17: trace = 4.719446199526267 (0.00196031% change) linmin: converged after 4 iterations. iteration 18: trace = 4.719342067175936 (0.00220648% change) linmin: converged after 5 iterations. iteration 19: trace = 4.719250145666872 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779904011 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996965549 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491797681 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509310166 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458937846 (4.34477e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.719165917312573 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.719165107645351 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862214882 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785195874 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.71916476092593 (5.14285e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750431715 (2.22374e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.719164743984006 (1.36628e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 4.71916473800363 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732535607 (1.15868e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729193626 (7.08172e-08% change) linmin: converged after 18 iterations. iteration 35: trace = 4.719164727750008 (3.05905e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 4.719164727251828 (1.05565e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.71916472698585 (5.63611e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 4.719164726837913 (3.13483e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.719164726708856 (2.73474e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.71916472655026 (3.36068e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 4.719164726298359 (5.33782e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 4.7191647258533 (9.43089e-09% change) linmin: converged after 15 iterations. iteration 43: trace = 4.719164725066989 (1.66621e-08% change) linmin: converged after 4 iterations. iteration 44: trace = 4.719164723722607 (2.84877e-08% change) linmin: converged after 19 iterations. iteration 45: trace = 4.719164722419896 (2.76047e-08% change) linmin: converged after 6 iterations. iteration 46: trace = 4.719164721562548 (1.81674e-08% change) linmin: converged after 16 iterations. iteration 47: trace = 4.719164720988488 (1.21644e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.719164720623203 (7.74045e-09% change) linmin: converged after 19 iterations. iteration 49: trace = 4.719164720382039 (5.11032e-09% change) linmin: converged after 15 iterations. iteration 50: trace = 4.719164720281916 (2.12162e-09% change) linmin: converged after 14 iterations. iteration 51: trace = 4.719164720241514 (8.56133e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218772 (1.4044e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.719164720216029 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.5063040256500244 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380121553 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472685538 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041534262 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551867178 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764246738 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.654399336084339 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590782666 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455428814 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231529 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128197 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293227 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342827 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65395753485975 (1.59968e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 4.653957210162049 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852145 (3.96028e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.653956928560638 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769971 (1.13432e-06% change) linmin: converged after 32 iterations. iteration 18: trace = 4.653956841201482 (7.42776e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 4.653956819085463 (4.75209e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.65395680993505 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517475 (7.34337e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.653956805199018 (2.83298e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.653956804663047 (1.15164e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 4.653956804367977 (6.34021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.6539568041892 (3.8414e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.653956804095571 (2.0118e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.653956804061927 (7.22916e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.653956804052049 (2.12256e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.653956804049409 (5.67188e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.10408735275268555 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978573792 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.57524986061685 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615778968 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726264 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753043 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276756 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406289 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078057 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954827 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.565738200055284 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810886 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483533 (3.27061e-06% change) linmin: converged after 14 iterations. iteration 14: trace = 4.565737552537147 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290476 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646699 (7.9807e-08% change) linmin: converged after 20 iterations. iteration 17: trace = 4.565737534603478 (2.28489e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.565737534315073 (6.31672e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.565737534206799 (2.37145e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 4.565737534143935 (1.37687e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.565737534100022 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070944 (6.36876e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 4.565737534052837 (3.96591e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.565737534041937 (2.38729e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.565737534035818 (1.34032e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 4.565737534032805 (6.5985e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.09349775314331055 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892414 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737204 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.49666086179891 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235467 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031072 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640691 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672331 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.49530364914899 (0.000264621% change) linmin: converged after 5 iterations. iteration 9: trace = 4.495300564167793 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871558 (3.8549e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 4.495299593694353 (8.04778e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 4.495299585129779 (1.90523e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 4.495299582963899 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.495299582144044 (1.8238e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 4.495299581549301 (1.32303e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 4.495299580823794 (1.61393e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.495299579922002 (2.00608e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.495299579325446 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.4952995790655 (5.78263e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.495299578960947 (2.32583e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 4.49529957891384 (1.04792e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 4.495299578893932 (4.42854e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 4.495299578886664 (1.61679e-10% change) linmin: converged after 14 iterations. iteration 25: trace = 4.495299578884342 (5.1667e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.08976411819458008 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004791003 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880181 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093519 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439734 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137276 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332465 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597407 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672776 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002984 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667401 (9.49527e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.462570546979999 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814236 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886536 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202181 (6.65185e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.462569970590494 (2.37793e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.462569966989752 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422022 (5.75393e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.462569961021073 (7.62105e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 6 iterations. iteration 19: trace = 4.462569953904014 (1.59483e-07% change) linmin: converged after 9 iterations. iteration 20: trace = 4.46256994368323 (2.29034e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.462569934609512 (2.03329e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.462569927927922 (1.49725e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053909 (8.68113e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.462569921863484 (4.90844e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 4.462569921105946 (1.69754e-08% change) linmin: converged after 5 iterations. iteration 26: trace = 4.462569920846201 (5.82051e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 4.462569920755987 (2.02157e-09% change) linmin: converged after 12 iterations. iteration 28: trace = 4.462569920708031 (1.07463e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.462569920679469 (6.40036e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.462569920665278 (3.17988e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.4625699206614 (8.69157e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.11091160774230957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47865855560369 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616061894 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409071 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144033 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383344 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908738621 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123136 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085369 (0.00257152% change) linmin: converged after 5 iterations. iteration 9: trace = 4.458596309902293 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755438463 (0.000191865% change) linmin: converged after 4 iterations. iteration 11: trace = 4.458585207924791 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490013294 (1.61018e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.458584277334562 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200805784 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120213 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.458584133462059 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789079 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093341 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108088935 (2.24385e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093759725 (3.21385e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 4.45858407013488 (5.29873e-07% change) large trace change predicted (1.49557e-06%) linmin: converged after 14 iterations. iteration 22: trace = 4.458584003453388 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777244318 (5.07356e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 24: trace = 4.458459758086347 (0.00278162% change) linmin: converged after 7 iterations. iteration 25: trace = 4.45845809310336 (3.73444e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.458456431314518 (3.72727e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.458454776753626 (3.71106e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 4.45845312970436 (3.69422e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458451488295024 (3.68157e-05% change) linmin: converged after 8 iterations. iteration 30: trace = 4.458449849512655 (3.67568e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.458448209807987 (3.67775e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.458446565441435 (3.6882e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 4.458444912674558 (3.70705e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443247872638 (3.73404e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 4.458441567558344 (3.76884e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.458439868437202 (3.81102e-05% change) linmin: converged after 8 iterations. iteration 37: trace = 4.458438147422839 (3.86013e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.458436401632463 (3.9157e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.458434628420673 (3.97721e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432825371669 (4.04413e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.458430990336213 (4.11588e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.458429121450739 (4.1918e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.458427217170018 (4.27119e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.45842527627803 (4.35331e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.458423297979061 (4.43722e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 4.45842128183593 (4.5221e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419227918975 (4.60683e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.458417136764045 (4.69035e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.458415009413182 (4.77154e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458412847426382 (4.84923e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.458410652879671 (4.92226e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.45840842834688 (4.98952e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.458406176863647 (5.04997e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.458403901873035 (5.1027e-05% change) linmin: converged after 18 iterations. iteration 55: trace = 4.45840160715417 (5.14695e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.45839929679653 (5.18203e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 4.45839697486293 (5.208e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 4.458394645649191 (5.22433e-05% change) linmin: converged after 12 iterations. iteration 59: trace = 4.458392313342166 (5.23127e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389981994917 (5.22912e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387655402004 (5.21846e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 4.458385337090715 (5.19989e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383030228237 (5.17421e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 4.458380737597496 (5.14229e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378461580468 (5.10503e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376204157597 (5.06333e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 4.458373966983598 (5.01791e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.45837175115985 (4.97003e-05% change) linmin: converged after 13 iterations. iteration 69: trace = 4.458369557643537 (4.92e-05% change) resetting CG direction... large trace change predicted (0.0705974%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218396810412 (0.0707047% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076270045077 (0.025639% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233400311123 (0.0189253% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750387012768 (0.0108469% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486228782018 (0.00593265% change) linmin: converged after 3 iterations. iteration 75: trace = 4.452381361974496 (0.00235527% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332149411394 (0.00110531% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312688637566 (0.000437093% change) linmin: converged after 3 iterations. iteration 78: trace = 4.45230071607409 (0.000268907% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288399612123 (0.000276632% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272809489926 (0.00035016% change) linmin: converged after 5 iterations. iteration 81: trace = 4.452249236224402 (0.000529467% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204263419688 (0.00101012% change) linmin: converged after 5 iterations. iteration 83: trace = 4.452119848004346 (0.00189605% change) linmin: converged after 23 iterations. iteration 84: trace = 4.452030544098405 (0.00200589% change) linmin: converged after 4 iterations. iteration 85: trace = 4.451975523041291 (0.00123587% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336662034 (0.000430964% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182938001 (0.000115763% change) linmin: converged after 5 iterations. iteration 88: trace = 4.451949926952263 (2.8212e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633719559 (6.58661e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555041382 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527225949 (6.24792e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 4.451949519990793 (1.62517e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 4.45194951832263 (3.74704e-08% change) linmin: converged after 23 iterations. iteration 94: trace = 4.451949517532587 (1.7746e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951702074 (1.14972e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 4.451949516566152 (1.0211e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516312337 (5.70122e-09% change) linmin: converged after 18 iterations. iteration 98: trace = 4.45194951618685 (2.8187e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516112386 (1.67262e-09% change) large trace change predicted (3.4224e-09%) linmin: converged after 4 iterations. iteration 100: trace = 4.451949515960023 (3.42238e-09% change) linmin: converged after 2 iterations. iteration 101: trace = 4.451949515673266 (6.44116e-09% change) linmin: converged after 8 iterations. iteration 102: trace = 4.451949515254093 (9.4155e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.451949514776699 (1.07233e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168536 (1.36606e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.45194951364144 (1.18397e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.451949513445264 (4.40653e-09% change) linmin: converged after 2 iterations. iteration 107: trace = 4.451949513374775 (1.58334e-09% change) linmin: converged after 7 iterations. iteration 108: trace = 4.451949513356686 (4.06308e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 4.451949513352735 (8.8739e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.2973320484161377 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% total elapsed time for run: 3.341460704803467 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0026094913482666016 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498552 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776485 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544305 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741098 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.86286374516217 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173163 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422817 (0.00113437% change) linmin: converged after 8 iterations. iteration 11: trace = 2.862646034309387 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116844171 (0.00272191% change) linmin: converged after 11 iterations. iteration 13: trace = 2.862522529156126 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.86250702305457 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862497024431528 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372896 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834261 (3.77133e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726045403 (4.88347e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.86249070824902 (6.2171e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490703921658 (1.51175e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442762 (1.21534e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490696942832 (1.22269e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617096 (8.12487e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490692196376 (8.45669e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490689635972 (8.94467e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 2.86249068881215 (2.87799e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 2.862490688657743 (5.39412e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 2.86249068863399 (8.29833e-10% change) linmin: converged after 23 iterations. iteration 29: trace = 2.862490688625448 (2.98382e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.862490688620295 (1.80025e-10% change) linmin: converged after 16 iterations. iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.08631253242492676 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.8592665337501 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885410416 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720083909 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000263371 (0.0333328% change) linmin: converged after 4 iterations. iteration 5: trace = 2.836186496136361 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889968089 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.835329250902228 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260285 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412855 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980058 (4.44197e-05% change) linmin: converged after 22 iterations. iteration 11: trace = 2.83530137235452 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.83530133647686 (1.26539e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 2.835301332836324 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052827 (6.29032e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 2.835301329637789 (4.99079e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 2.835301328974367 (2.33986e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 2.835301328638412 (1.1849e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 2.835301328502628 (4.78904e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 2.835301328480652 (7.75092e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.07315230369567871 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.80104758343635 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378334312 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200921 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181834 (0.00566543% change) linmin: converged after 5 iterations. iteration 5: trace = 2.795670517948642 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105494 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060606 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521852 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408575 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968438 (2.66134e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.795630871760076 (4.32232e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631213 (4.60942e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.795630871612962 (6.52847e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.795630871602818 (3.62848e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598377 (1.58883e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.05844879150390625 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.774998560215873 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227243 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795790379 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908647 (0.0039227% change) linmin: converged after 6 iterations. iteration 5: trace = 2.771573339861071 (0.00107274% change) linmin: converged after 5 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 3 iterations. iteration 7: trace = 2.771565848864934 (7.31123e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.771565436133741 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911645 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637119 (1.18147e-07% change) linmin: converged after 12 iterations. iteration 11: trace = 2.771565390406326 (8.32718e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.771565390385134 (7.6462e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.77156539038211 (1.09117e-10% change) linmin: converged after 12 iterations. iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.19239497184753418 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897694166 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676430948 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76499079933343 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212312 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243694 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702719 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.76461744645962 (2.84757e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.764617148488825 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736613 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306761 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65715e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69242e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.047783851623535156 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 4 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 7 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 16 iterations. iteration 8: trace = 2.765514678058571 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876088 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313922 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43614e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 2.765514654454888 (6.70095e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765514654390361 (2.33326e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376135 (5.14405e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.05487060546875 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192894 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309126988 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 6 iterations. iteration 4: trace = 2.765669394833951 (0.00215489% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765658289765338 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76565667410184 (5.84188e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765656191162028 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.76565610867967 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612788 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432823 (4.01167e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370316 (2.26009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765656097345329 (9.03479e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.05135703086853027 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313225 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766538782497219 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 6 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889405 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279492 (2.41324e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.766440405119587 (3.00603e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.766440395785975 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560161 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54314e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061448 (2.59581e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.766440393054012 (2.68803e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.05502939224243164 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893329 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.769310080424471 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 5 iterations. iteration 4: trace = 2.768934648753338 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394422 (0.00089119% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76890656309235 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159754 (1.65023e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550865 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.768905997652202 (3.68956e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400175 (4.52174e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267477 (4.79246e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251333 (5.83029e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.05511665344238281 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451391057 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098715778 (0.0384934% change) linmin: converged after 4 iterations. iteration 3: trace = 2.774640612551229 (0.00873899% change) linmin: converged after 7 iterations. iteration 4: trace = 2.774560995069022 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77453459325651 (0.000951572% change) linmin: converged after 4 iterations. iteration 6: trace = 2.774531225310032 (0.000121388% change) linmin: converged after 4 iterations. iteration 7: trace = 2.774530700766645 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359497456 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863122988 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 2.774529531015569 (1.06251e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 2.774529530846424 (6.09634e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97037e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826869 (1.07768e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.058333635330200195 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010559785 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864090243 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622950957 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529274127 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018962653 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.784775033133963 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.78476738704222 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863706734 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 5 iterations. iteration 9: trace = 2.784576806706474 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.78443456658295 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945208 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152168 (7.1462e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729957 (7.48534e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 2.784404151061408 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391646 (2.75454e-07% change) linmin: converged after 19 iterations. iteration 16: trace = 2.784404142114114 (4.58817e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807705 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512633 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 3 iterations. iteration 19: trace = 2.784404140423731 (3.91072e-08% change) linmin: converged after 29 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 28 iterations. iteration 22: trace = 2.784404132526767 (1.12989e-07% change) linmin: converged after 26 iterations. iteration 23: trace = 2.784404131138652 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765977 (1.33844e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704079 (2.22301e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699127 (1.77849e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.14429354667663574 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.772753997213508 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731172 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048711009 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316778 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.76627831243169 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766276055716656 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375524 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025947 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526928 (9.03388e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766275694283745 (8.791e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 2.766275694243466 (1.45605e-09% change) linmin: converged after 7 iterations. iteration 12: trace = 2.766275694206311 (1.34313e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188478 (6.44668e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766275694185664 (1.01732e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.055150508880615234 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.771492865813062 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222254 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016951 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.765768964129088 (0.000556581% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476076 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509604 (1.26426e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765766575906304 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033982 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.76576657497265 (2.21753e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968935 (1.3433e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.19083929061889648 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.791470836862437 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099793 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033089986 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715415 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429705 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414128 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368144 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 2.786825446011257 (2.92234e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 2.786825446005847 (1.9414e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.048459529876708984 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.83493324550536 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065325 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628173 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307016 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 6 iterations. iteration 6: trace = 2.829305726218515 (0.0013011% change) linmin: converged after 5 iterations. iteration 7: trace = 2.829276325559039 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342493 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813156 (2.19325e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.829270284334416 (1.81951e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 2.829270280435292 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036013 (1.41124e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 2.829270279947552 (3.12666e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913445 (1.2055e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 2.829270279899193 (5.03724e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.829270279889811 (3.31599e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885796 (1.4191e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.0676875114440918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.88614168583594 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321681 (0.411006% change) linmin: converged after 8 iterations. iteration 3: trace = 2.867461048283277 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339330284 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526576075 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260461168 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.86298756916355 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.86277099830971 (0.00756479% change) linmin: converged after 5 iterations. iteration 9: trace = 2.862591893260045 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772323387 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519860812 (0.00130139% change) linmin: converged after 6 iterations. iteration 12: trace = 2.862492614383973 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238294 (5.19528e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 2.862490902676301 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354834 (1.8977e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 2.862490815153661 (1.15987e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 2.862490774134767 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516321 (9.29905e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725345 (7.26325e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490701040766 (8.97281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.862490690405861 (3.71526e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920468 (5.18916e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724709 (6.83876e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 2.862490688677528 (1.64826e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.862490688650878 (9.31e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688640401 (3.66024e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 2.862490688636764 (1.2706e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 2.862490688630895 (2.05019e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 2.862490688622824 (2.81968e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 2.862490688619479 (1.16868e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.27460145950317383 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826863 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268188 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372994 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715007 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.692014574213478 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393071 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594095 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823448 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378436), 0.02272961238288739% Gap from band 2 (0.3985126081046681) to band 3 (0.4390817228448607), 9.68705571208962% Gap from band 3 (0.49288810189980536) to band 4 (0.4933684778826863), 0.09741399808696079% Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% total elapsed time for run: 1.517915964126587 done /tmp/meepFBAM2J/test_tri_holes-0: 4.86s /tmp/meepFBAM2J/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018525123596191406 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06749916076660156 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06551933288574219 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.059893131256103516 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.20642614364624023 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.25809407234191895 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.04788017272949219 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04513883590698242 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04439949989318848 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.037358760833740234 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.12113690376281738 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.033856868743896484 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.041033267974853516 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.10281491279602051 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.04856586456298828 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.062056779861450195 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.4000577926635742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.7075068950653076 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019404888153076172 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168521 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233162 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283957 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309321 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004704995 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953052988 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911362792 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952679834 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566119 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085007066 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845126679 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896341 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733837875 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657411 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189158 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.207458642124069 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.20649696589854 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793259 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735027 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041645 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474106 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318169 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163239 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945468 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725798 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520901 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519168 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714793 (4.05264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205341359594264 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.205340285757587 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.205339401862772 (1.42441e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.205338538782246 (1.39087e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 6.205338005697968 (8.59074e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.20533779281334 (3.43067e-06% change) linmin: converged after 14 iterations. iteration 36: trace = 6.205337727927921 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700665202 (4.39343e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076977 (2.99552e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 6.205337670235849 (1.90822e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.20533766360399 (1.06873e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.205337659445417 (6.7016e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656271132 (5.11541e-08% change) linmin: converged after 4 iterations. iteration 43: trace = 6.205337653590746 (4.31948e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674759 (3.08764e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 6.205337650112281 (2.51796e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.205337648922284 (1.9177e-08% change) linmin: converged after 9 iterations. iteration 47: trace = 6.205337648157436 (1.23256e-08% change) linmin: converged after 18 iterations. iteration 48: trace = 6.20533764764661 (8.23204e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357124 (4.66512e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 6.20533764722022 (2.20623e-09% change) linmin: converged after 13 iterations. iteration 51: trace = 6.205337647170952 (7.9395e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 6.20533764715244 (2.98329e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143449 (1.44892e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136523 (1.11614e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.205337647130181 (1.0221e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.30965113639831543 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024412352 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659804193 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131797574 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705631005 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542372 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874141 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858596 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.070592820913717 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682351 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703737 (0.000472136% change) linmin: converged after 3 iterations. iteration 11: trace = 6.070466776951315 (0.000154811% change) linmin: converged after 3 iterations. iteration 12: trace = 6.070462362656822 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493464 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551033 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420175 (2.06131e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.070460137715081 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900742 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276799 (2.2443e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.07046007986356 (1.15842e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.070460075401997 (7.34963e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.070460072809237 (4.27111e-08% change) linmin: converged after 10 iterations. iteration 23: trace = 6.070460071630654 (1.94151e-08% change) linmin: converged after 23 iterations. iteration 24: trace = 6.070460071141095 (8.0646e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 6.070460070886772 (4.18953e-09% change) linmin: converged after 18 iterations. iteration 26: trace = 6.070460070770764 (1.91102e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 6.070460070719212 (8.49236e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 6.070460070698456 (3.41915e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 6.070460070686254 (2.01003e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.070460070677973 (1.36406e-10% change) linmin: converged after 20 iterations. iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.11714458465576172 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450099651 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164987615 (0.262374% change) linmin: converged after 4 iterations. iteration 3: trace = 5.859434248089517 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394584574 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107094 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447409 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142514 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979383 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313636 (0.000174901% change) linmin: converged after 6 iterations. iteration 10: trace = 5.85624293285546 (8.3184e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.856240727525813 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988355 (2.76208e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.856238145767135 (1.64649e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 5.856237866910497 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777123892 (1.53318e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 5.856237751867796 (4.31268e-07% change) linmin: converged after 10 iterations. iteration 17: trace = 5.856237743987695 (1.34559e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787464 (5.46465e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.85623773908993 (2.89868e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 5.856237737682886 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546369 (1.9407e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790062 (1.29146e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.856237735217729 (9.77305e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.8562377349484 (4.599e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.856237734795146 (2.61694e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.856237734734316 (1.03871e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.8562377347143 (3.41789e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707861 (1.09956e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.3233768939971924 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296896508 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917668216 (0.11105% change) linmin: converged after 4 iterations. iteration 3: trace = 5.680153605096928 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245556072 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.67938121002896 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397145543 (0.000753833% change) linmin: converged after 5 iterations. iteration 7: trace = 5.679327009081291 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501428527 (9.69773e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.67931869579583 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872701 (2.86465e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.679316526996146 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977444 (3.5571e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.679316236097751 (2.8645e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.679316231672794 (7.79136e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.679316229977095 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108177 (1.52997e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.679316228341653 (1.34968e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 5.679316227585914 (1.33069e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.679316226988041 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97507e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.67931622663782 (1.19154e-09% change) linmin: converged after 9 iterations. iteration 23: trace = 5.679316226609477 (4.99051e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.679316226600837 (1.52135e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.38509631156921387 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.57218121352375 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925706007 (0.0642735% change) linmin: converged after 3 iterations. iteration 3: trace = 5.567657736853601 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135072 (0.00383592% change) linmin: converged after 5 iterations. iteration 5: trace = 5.567377620490181 (0.00119534% change) linmin: converged after 5 iterations. iteration 6: trace = 5.567363512847055 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913101 (6.29011e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567358378549432 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479857 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846616 (7.8607e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.567356991067827 (2.42088e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.567356957505876 (6.02835e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.567356948843496 (1.55592e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567356946798316 (3.67352e-08% change) linmin: converged after 22 iterations. iteration 15: trace = 5.567356946093135 (1.26664e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.20514e-09% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567356945304207 (5.96546e-09% change) linmin: converged after 7 iterations. iteration 18: trace = 5.567356944950218 (6.35829e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567356944690507 (4.66488e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.567356944584951 (1.89599e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567356944550362 (6.21286e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567356944542213 (1.46372e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.1676316261291504 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106742345 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108995 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715393 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820871 (0.00226257% change) linmin: converged after 4 iterations. iteration 5: trace = 5.529282320152231 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469082 (0.000147391% change) linmin: converged after 9 iterations. iteration 7: trace = 5.529272236624188 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.52927160610899 (1.14032e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.529271436020514 (3.07615e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 5.529271373878376 (1.12388e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.529271337491402 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740964 (3.02941e-07% change) linmin: converged after 32 iterations. iteration 13: trace = 5.52927131554956 (9.38895e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.52927131449556 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233556 (4.73849e-09% change) linmin: converged after 17 iterations. iteration 16: trace = 5.529271314081585 (2.74848e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.529271313980218 (1.83328e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.529271313876949 (1.86769e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.529271313777745 (1.79416e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.529271313733425 (8.01554e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.529271313721345 (2.18476e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.08700108528137207 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517440993 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185464449 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.533288931112328 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711817137 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53234281599609 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53223657988553 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246417 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409585 (0.000349281% change) linmin: converged after 5 iterations. iteration 9: trace = 5.532156997902877 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963378 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741136 (9.49399e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.532153673436563 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.532153624609109 (8.82612e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.532153611036557 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469198 (6.44841e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.53215360667281 (1.43956e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.532153606425389 (4.47241e-09% change) linmin: converged after 8 iterations. iteration 18: trace = 5.532153606309882 (2.08793e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238234 (1.29511e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.532153606171855 (1.19987e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.532153606115742 (1.01431e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.532153606087498 (5.10544e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.532153606073366 (2.55449e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.21902155876159668 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467745 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135059004 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333685 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.53586963592839 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921418 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 5 iterations. iteration 9: trace = 5.534699673866186 (0.000173854% change) linmin: converged after 5 iterations. iteration 10: trace = 5.534696883149079 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656591 (1.05786e-05% change) linmin: converged after 14 iterations. iteration 12: trace = 5.534696086069424 (3.82292e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.53469602314202 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432271 (3.56113e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.534695997023228 (1.15798e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 5.534695995144553 (3.39436e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.534695994510908 (1.14486e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.534695994207878 (5.47511e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.5346959940304 (3.20664e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.534695993871268 (2.87518e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.534695993784571 (1.56643e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.534695993753228 (5.66299e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.534695993742769 (1.88975e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.2778165340423584 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339883141 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895849107 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673732058 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466592 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141156 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433182 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010774 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268946 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125399 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729437 (5.83375e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52714047204988 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332192 (1.55184e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.527140039497725 (4.31226e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.527140027391177 (6.10863e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.527140025708307 (3.04474e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.527140024739852 (1.75218e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.52714002424972 (8.86774e-09% change) linmin: converged after 20 iterations. iteration 20: trace = 5.527140024034409 (3.89551e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.527140023982141 (9.45668e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969882 (2.2179e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.09108161926269531 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858706062 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237674 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977724 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127324 (0.0137437% change) linmin: converged after 4 iterations. iteration 5: trace = 5.514757022135015 (0.00687383% change) linmin: converged after 9 iterations. iteration 6: trace = 5.514652113037966 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.51460223226159 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.51458988830778 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299526 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956625 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925806 (9.88345e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.514581551297036 (3.67442e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 5.514581501626852 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384372 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005886 (6.12646e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.514581486953491 (1.90839e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.514581486665213 (5.22756e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577285 (1.59446e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.514581486551827 (4.61646e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.514581486536881 (2.71032e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.514581486529239 (1.38576e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.1454944610595703 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354884038 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342223 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143168 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 5 iterations. iteration 5: trace = 5.508737669131326 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257637 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.508654122067274 (0.000535832% change) linmin: converged after 5 iterations. iteration 8: trace = 5.508646692888515 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274298 (5.63226e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.508642644310974 (1.71723e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.508642365130625 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323832 (1.86628e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.508642237881131 (4.43716e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.508642233589994 (7.78983e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.508642232550771 (1.88653e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.508642232232832 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.508642232157101 (1.37477e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.508642232135503 (3.92072e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.17312169075012207 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313168 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881727 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342748 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670689 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830649 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395581 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695417993 (0.000380238% change) linmin: converged after 4 iterations. iteration 9: trace = 5.538951634380074 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756816 (4.79987e-05% change) linmin: converged after 34 iterations. iteration 11: trace = 5.538948192460804 (1.41416e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.538947835307319 (6.44804e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.538947686577418 (2.68517e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538947636561977 (9.02977e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030194 (3.34572e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.538947613905393 (7.4469e-08% change) linmin: converged after 23 iterations. iteration 17: trace = 5.538947613187704 (1.29571e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.538947612989034 (3.58677e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.538947612948648 (7.29134e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937278 (2.05266e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.34491920471191406 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200631501 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549628191 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479465311 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868754246 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497329 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264385 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.63693616636827 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755417 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414136 (0.000160804% change) linmin: converged after 6 iterations. iteration 10: trace = 5.636893338294109 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.636892881857397 (8.09731e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 5.636892759768442 (2.16589e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.636892722735079 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210956 (1.86701e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.636892708239734 (7.04506e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.636892706830089 (2.50075e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.636892706179625 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778893 (7.10909e-09% change) linmin: converged after 25 iterations. iteration 19: trace = 5.636892705608977 (3.01435e-09% change) linmin: converged after 17 iterations. iteration 20: trace = 5.636892705551569 (1.01844e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.636892705530974 (3.65362e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.4016292095184326 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.81850397229077 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946629663 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955588935 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036810262 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684313883 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579567 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816898936 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546447 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771267 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624883 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317811 (9.46769e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876407 (6.21864e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.807437481552951 (3.4668e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.807436670284366 (1.39695e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.8074362899604 (6.54891e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.807436162892381 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334483 (6.29502e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 5.807436113287418 (4.99442e-08% change) linmin: converged after 26 iterations. iteration 20: trace = 5.807436112416768 (1.4992e-08% change) linmin: converged after 20 iterations. iteration 21: trace = 5.807436112088622 (5.65045e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.807436111990087 (1.6967e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.80743611192849 (1.06067e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.807436111892699 (6.16295e-10% change) linmin: converged after 18 iterations. iteration 25: trace = 5.807436111861502 (5.3718e-10% change) linmin: converged after 12 iterations. iteration 26: trace = 5.807436111844974 (2.84603e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.0974893569946289 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406898 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.04721742344514 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353635004 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071556 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957797 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541616 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732497 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498213 (0.00324293% change) linmin: converged after 4 iterations. iteration 9: trace = 6.039366429150525 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543028 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154683 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291311 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215228 (0.000194101% change) linmin: converged after 3 iterations. iteration 14: trace = 6.039151356031253 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.03914929136149 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716702 (4.8458e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832842 (2.11758e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 6.039148806998378 (1.05701e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226737 (7.96694e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437228 (2.96318e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 6.039148747735011 (1.16277e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.039148746498665 (1.0021e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 6.039148745995296 (8.3351e-09% change) linmin: converged after 22 iterations. iteration 28: trace = 6.039148745700736 (4.87751e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 6.039148745569349 (2.17558e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510188 (9.79634e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.039148745490023 (3.33908e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.25391054153442383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915282703 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546870506 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153904172 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635423668 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497514124 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175370947 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982920777 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637846104 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505965657 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423721 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116506 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.20538969590178 (0.000229755% change) linmin: converged after 7 iterations. iteration 13: trace = 6.205378818817865 (0.000175285% change) linmin: converged after 5 iterations. iteration 14: trace = 6.20536902289189 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408646 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260895072 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521570035 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171488 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.205340291030811 (4.98948e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895535662 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348829109 (8.81026e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122341 (5.05543e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843117912 (3.09418e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205337736263818 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834875 (8.77131e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438703 (3.77033e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 6.205337650174807 (1.33174e-07% change) linmin: converged after 14 iterations. iteration 28: trace = 6.205337648379766 (2.89274e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812921 (9.1348e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205337647526122 (4.62181e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.20533764730531 (3.55842e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205337647187882 (1.89237e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139041 (7.87079e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.205337647127357 (1.88289e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.09675431251525879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039021 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191518 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415254 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594292 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041982 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575196 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% total elapsed time for run: 3.494719982147217 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepFBAM2J/test_tri_rods-0: 5.22s /tmp/meepFBAM2J/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017921924591064453 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06793713569641113 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06551074981689453 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.09832382202148438 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.05142855644226074 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.04807400703430176 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.048036813735961914 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04438972473144531 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04421377182006836 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03739786148071289 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.14470171928405762 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.038979530334472656 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415341 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317017 (2.34224e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309861 (1.70469e-10% change) linmin: converged after 8 iterations. iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.2861499786376953 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338977 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.283281438838008 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693609 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102652 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991159 (2.21481e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04825615882873535 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164765 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 5 iterations. iteration 5: trace = 4.410114427040232 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711942 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698954 (2.90272e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.410102277309537 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815383 (5.65555e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561979 (5.746e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.410102274546347 (3.54458e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.058219194412231445 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101568 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258571 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323366 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319917 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 9 iterations. iteration 6: trace = 4.534531477384963 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244491 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393298 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423107 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618731 (7.91743e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75014e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.534517622760765 (4.58572e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1913459300994873 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273709 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330472 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234653 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379689 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189914 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102072 (0.000900408% change) linmin: converged after 10 iterations. iteration 7: trace = 4.577900193795437 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57789572495597 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564435 (2.15468e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.577894647524322 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981874 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.57789462756006 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91274e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.577894626586341 (2.14266e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573655 (2.77111e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572484 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(25.582641991783166) not less than or equal to np.float64(0.03691917153659588) : ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list self.check_freqs(expected_gap_list, result) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: -0.9945407488966614 != -0.9950905165813094 within 3 places (0.0005497676846479838 difference) ---------------------------------------------------------------------- Ran 47 tests in 400.078s FAILED (failures=4) elapsed time for k point: 0.04538249969482422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585158 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443277 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.560560794779775) to band 4 (0.5932960873585158), 5.6740646236952275% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 1.3213436603546143 done /tmp/meepFBAM2J/test_triangular_lattice-0: 1.32s /tmp/meepFBAM2J/test_update_band_range_data-0 ======================== /tmp/meepFBAM2J/test_update_band_range_data-0: 0.00s Elapsed run time = 400.1077 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition =================================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_mode_decomposition.py (exit status: 1) FAIL: tests/test_pml_cyl ======================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_pml_cyl.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' Byte-compiling python modules... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (more optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' Byte-compiling python modules... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' Byte-compiling python modules... mpb.py solver.py mpb_data.py Byte-compiling python modules (optimized versions) ... mpb.py solver.py mpb_data.py Byte-compiling python modules (more optimized versions) ... mpb.py solver.py mpb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyTuple_New: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GetIter: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2341410 and its subdirectories I: Current time: Sun Apr 12 01:45:10 -12 2026 I: pbuilder-time-stamp: 1776001510 Mon Mar 10 07:22:14 UTC 2025 I: 1st build successful. Starting 2nd build on remote node ionos1-amd64.debian.net. Mon Mar 10 07:22:14 UTC 2025 I: Preparing to do remote build '2' on ionos1-amd64.debian.net. Mon Mar 10 07:22:14 UTC 2025 - checking /var/lib/jenkins/offline_nodes if ionos1-amd64.debian.net is marked as down. Mon Mar 10 07:22:14 UTC 2025 - checking via ssh if ionos1-amd64.debian.net is up. removed '/tmp/read-only-fs-test-ygCioT' ==================================================================================== Mon Mar 10 07:22:15 UTC 2025 - running /srv/jenkins/bin/reproducible_build.sh (for job /srv/jenkins/bin/reproducible_build.sh) on ionos1-amd64, called using "2 meep trixie /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9 1.29.0-1" as arguments. Mon Mar 10 07:22:15 UTC 2025 - actually running "reproducible_build.sh" (md5sum 68e686e434c9ab7bc3ec047d8b309cbc) as "/tmp/jenkins-script-gPAzXzlX" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Mon Mar 10 07:22:16 UTC 2025 I: Downloading source for trixie/meep=1.29.0-1 Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 46.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (dsc) [2495 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (tar) [45.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (diff) [144 kB] Fetched 46.0 MB in 1s (53.6 MB/s) Download complete and in download only mode Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 46.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (dsc) [2495 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (tar) [45.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.29.0-1 (diff) [144 kB] Fetched 46.0 MB in 1s (53.6 MB/s) Download complete and in download only mode ============================================================================= Re-Building meep in trixie on amd64 on ionos1-amd64 now. Date: Mon Mar 10 07:22:17 UTC 2025 Date UTC: Mon Mar 10 07:22:17 UTC 2025 ============================================================================= ++ mktemp -t pbuilderrc_XXXX --tmpdir=/srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9 + local TMPCFG=/srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_Tsm0 + case ${ARCH} in + case $ARCH in + locale=et_EE + language=et + case "${SUITE}" in + reproducible_buildflags=+all + extra_deb_build_options= + case "${SRCPACKAGE}" in + cat + echo BUILDDIR=/build/reproducible-path + '[' meep = debian-installer -o meep = debian-installer-netboot-images ']' + pbuilder_options=() + local pbuilder_options + DEBBUILDOPTS=-b + BINARYTARGET= + '[' meep = u-boot ']' + case "${SRCPACKAGE}" in + PBUILDERTIMEOUT=24 + local PRESULT=0 + sudo timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_Tsm0 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2 --logfile b2/build.log meep_1.29.0-1.dsc W: /root/.pbuilderrc does not exist I: Logging to b2/build.log I: pbuilder: network access will be disabled during build I: Current time: Mon Mar 10 21:22:18 +14 2025 I: pbuilder-time-stamp: 1741591338 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.29.0-1.dsc] I: copying [./meep_1.29.0.orig.tar.gz] I: copying [./meep_1.29.0-1.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-1.dsc: unsupported subcommand dpkg-source: info: extracting meep in meep-1.29.0 dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz dpkg-source: info: unpacking meep_1.29.0-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D01_modify_environment starting debug: Running on ionos1-amd64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Mar 10 07:22 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") BASH_VERSION='5.2.37(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=amd64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' DIRSTACK=() DISTRIBUTION=trixie EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=x86_64 HOST_ARCH=amd64 IFS=' ' INVOCATION_ID=b78964e94c4e4567ad71ce0778d72f09 LANG=C LANGUAGE=et_EE:et LC_ALL=C MACHTYPE=x86_64-pc-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=1726365 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_Tsm0 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2 --logfile b2/build.log meep_1.29.0-1.dsc' SUDO_GID=110 SUDO_UID=105 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://46.16.76.132:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however: Package architecture-is-64-bit is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpsm-infinipath1{a} libpsm2-2{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-pytz{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch shared-mime-info wget xdg-user-dirs 0 packages upgraded, 284 newly installed, 0 to remove and 0 not upgraded. Need to get 241 MB of archives. After unpacking 987 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main amd64 libpython3.13-minimal amd64 3.13.2-1 [859 kB] Get: 2 http://deb.debian.org/debian trixie/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 3 http://deb.debian.org/debian trixie/main amd64 python3.13-minimal amd64 3.13.2-1 [2205 kB] Get: 4 http://deb.debian.org/debian trixie/main amd64 python3-minimal amd64 3.13.2-1 [27.1 kB] Get: 5 http://deb.debian.org/debian trixie/main amd64 media-types all 12.0.0 [28.9 kB] Get: 6 http://deb.debian.org/debian trixie/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main amd64 tzdata all 2025a-2 [259 kB] Get: 8 http://deb.debian.org/debian trixie/main amd64 libffi8 amd64 3.4.7-1 [23.9 kB] Get: 9 http://deb.debian.org/debian trixie/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 10 http://deb.debian.org/debian trixie/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 11 http://deb.debian.org/debian trixie/main amd64 libpython3.13-stdlib amd64 3.13.2-1 [1979 kB] Get: 12 http://deb.debian.org/debian trixie/main amd64 python3.13 amd64 3.13.2-1 [745 kB] Get: 13 http://deb.debian.org/debian trixie/main amd64 libpython3-stdlib amd64 3.13.2-1 [10.0 kB] Get: 14 http://deb.debian.org/debian trixie/main amd64 python3 amd64 3.13.2-1 [28.1 kB] Get: 15 http://deb.debian.org/debian trixie/main amd64 python3-numpy-dev amd64 1:2.2.3+ds-2+b1 [138 kB] Get: 16 http://deb.debian.org/debian trixie/main amd64 libblas3 amd64 3.12.1-2 [160 kB] Get: 17 http://deb.debian.org/debian trixie/main amd64 libgfortran5 amd64 14.2.0-17 [836 kB] Get: 18 http://deb.debian.org/debian trixie/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB] Get: 19 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:2.2.3+ds-2+b1 [5081 kB] Get: 20 http://deb.debian.org/debian trixie/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 21 http://deb.debian.org/debian trixie/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 22 http://deb.debian.org/debian trixie/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 23 http://deb.debian.org/debian trixie/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 24 http://deb.debian.org/debian trixie/main amd64 gettext-base amd64 0.23.1-1 [243 kB] Get: 25 http://deb.debian.org/debian trixie/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 26 http://deb.debian.org/debian trixie/main amd64 groff-base amd64 1.23.0-7 [1185 kB] Get: 27 http://deb.debian.org/debian trixie/main amd64 bsdextrautils amd64 2.40.4-5 [92.4 kB] Get: 28 http://deb.debian.org/debian trixie/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 29 http://deb.debian.org/debian trixie/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 30 http://deb.debian.org/debian trixie/main amd64 architecture-properties amd64 0.2.6 [2336 B] Get: 31 http://deb.debian.org/debian trixie/main amd64 m4 amd64 1.4.19-7 [294 kB] Get: 32 http://deb.debian.org/debian trixie/main amd64 autoconf all 2.72-3 [493 kB] Get: 33 http://deb.debian.org/debian trixie/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 34 http://deb.debian.org/debian trixie/main amd64 automake all 1:1.17-3 [862 kB] Get: 35 http://deb.debian.org/debian trixie/main amd64 autopoint all 0.23.1-1 [770 kB] Get: 36 http://deb.debian.org/debian trixie/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB] Get: 37 http://deb.debian.org/debian trixie/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB] Get: 38 http://deb.debian.org/debian trixie/main amd64 libpng16-16t64 amd64 1.6.47-1 [282 kB] Get: 39 http://deb.debian.org/debian trixie/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 40 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 41 http://deb.debian.org/debian trixie/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 42 http://deb.debian.org/debian trixie/main amd64 fontconfig-config amd64 2.15.0-2 [317 kB] Get: 43 http://deb.debian.org/debian trixie/main amd64 libfontconfig1 amd64 2.15.0-2 [391 kB] Get: 44 http://deb.debian.org/debian trixie/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 45 http://deb.debian.org/debian trixie/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 46 http://deb.debian.org/debian trixie/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 47 http://deb.debian.org/debian trixie/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 48 http://deb.debian.org/debian trixie/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 49 http://deb.debian.org/debian trixie/main amd64 libxrender1 amd64 1:0.9.10-1.1+b4 [27.8 kB] Get: 50 http://deb.debian.org/debian trixie/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB] Get: 51 http://deb.debian.org/debian trixie/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB] Get: 52 http://deb.debian.org/debian trixie/main amd64 x11-common all 1:7.7+24 [217 kB] Get: 53 http://deb.debian.org/debian trixie/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB] Get: 54 http://deb.debian.org/debian trixie/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB] Get: 55 http://deb.debian.org/debian trixie/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-8 [591 kB] Get: 56 http://deb.debian.org/debian trixie/main amd64 blt amd64 2.5.3+dfsg-8 [5984 B] Get: 57 http://deb.debian.org/debian trixie/main amd64 chrpath amd64 0.18-1 [13.5 kB] Get: 58 http://deb.debian.org/debian trixie/main amd64 libcom-err2 amd64 1.47.2-1 [24.0 kB] Get: 59 http://deb.debian.org/debian trixie/main amd64 comerr-dev amd64 2.1-1.47.2-1 [55.7 kB] Get: 60 http://deb.debian.org/debian trixie/main amd64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 61 http://deb.debian.org/debian trixie/main amd64 libtool all 2.5.4-4 [539 kB] Get: 62 http://deb.debian.org/debian trixie/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 66 http://deb.debian.org/debian trixie/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 67 http://deb.debian.org/debian trixie/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 68 http://deb.debian.org/debian trixie/main amd64 libunistring5 amd64 1.3-1 [476 kB] Get: 69 http://deb.debian.org/debian trixie/main amd64 libicu72 amd64 72.1-6 [9421 kB] Get: 70 http://deb.debian.org/debian trixie/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b2 [699 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 gettext amd64 0.23.1-1 [1680 kB] Get: 72 http://deb.debian.org/debian trixie/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian trixie/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian trixie/main amd64 debhelper all 13.24.1 [920 kB] Get: 75 http://deb.debian.org/debian trixie/main amd64 diffstat amd64 1.67-1 [35.5 kB] Get: 76 http://deb.debian.org/debian trixie/main amd64 ed amd64 1.21-1 [61.4 kB] Get: 77 http://deb.debian.org/debian trixie/main amd64 fonts-lyx all 2.4.3-1 [190 kB] Get: 78 http://deb.debian.org/debian trixie/main amd64 libgfortran-14-dev amd64 14.2.0-17 [879 kB] Get: 79 http://deb.debian.org/debian trixie/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-17 [11.7 MB] Get: 80 http://deb.debian.org/debian trixie/main amd64 gfortran-14 amd64 14.2.0-17 [14.0 kB] Get: 81 http://deb.debian.org/debian trixie/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.2.0-1 [1284 B] Get: 82 http://deb.debian.org/debian trixie/main amd64 gfortran amd64 4:14.2.0-1 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main amd64 libgc1 amd64 1:8.2.8-1 [247 kB] Get: 84 http://deb.debian.org/debian trixie/main amd64 guile-3.0-libs amd64 3.0.10+really3.0.10-4 [6877 kB] Get: 85 http://deb.debian.org/debian trixie/main amd64 guile-3.0 amd64 3.0.10+really3.0.10-4 [22.7 kB] Get: 86 http://deb.debian.org/debian trixie/main amd64 libncurses6 amd64 6.5+20250216-1 [105 kB] Get: 87 http://deb.debian.org/debian trixie/main amd64 libncurses-dev amd64 6.5+20250216-1 [353 kB] Get: 88 http://deb.debian.org/debian trixie/main amd64 libreadline-dev amd64 8.2-6 [153 kB] Get: 89 http://deb.debian.org/debian trixie/main amd64 libltdl7 amd64 2.5.4-4 [416 kB] Get: 90 http://deb.debian.org/debian trixie/main amd64 libltdl-dev amd64 2.5.4-4 [168 kB] Get: 91 http://deb.debian.org/debian trixie/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-3 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-3 [642 kB] Get: 93 http://deb.debian.org/debian trixie/main amd64 libgc-dev amd64 1:8.2.8-1 [416 kB] Get: 94 http://deb.debian.org/debian trixie/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB] Get: 95 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 96 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 97 http://deb.debian.org/debian trixie/main amd64 guile-3.0-dev amd64 3.0.10+really3.0.10-4 [151 kB] Get: 98 http://deb.debian.org/debian trixie/main amd64 hdf5-helpers amd64 1.14.5+repack-3 [26.6 kB] Get: 99 http://deb.debian.org/debian trixie/main amd64 libnl-3-200 amd64 3.7.0-0.3+b1 [59.4 kB] Get: 100 http://deb.debian.org/debian trixie/main amd64 libnl-route-3-200 amd64 3.7.0-0.3+b1 [182 kB] Get: 101 http://deb.debian.org/debian trixie/main amd64 libibverbs1 amd64 55.0-1 [62.2 kB] Get: 102 http://deb.debian.org/debian trixie/main amd64 ibverbs-providers amd64 55.0-1 [351 kB] Get: 103 http://deb.debian.org/debian trixie/main amd64 libkrb5support0 amd64 1.21.3-4 [32.8 kB] Get: 104 http://deb.debian.org/debian trixie/main amd64 libk5crypto3 amd64 1.21.3-4 [80.9 kB] Get: 105 http://deb.debian.org/debian trixie/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 106 http://deb.debian.org/debian trixie/main amd64 libkrb5-3 amd64 1.21.3-4 [326 kB] Get: 107 http://deb.debian.org/debian trixie/main amd64 libgssapi-krb5-2 amd64 1.21.3-4 [138 kB] Get: 108 http://deb.debian.org/debian trixie/main amd64 libgssrpc4t64 amd64 1.21.3-4 [60.0 kB] Get: 109 http://deb.debian.org/debian trixie/main amd64 libkadm5clnt-mit12 amd64 1.21.3-4 [42.2 kB] Get: 110 http://deb.debian.org/debian trixie/main amd64 libkdb5-10t64 amd64 1.21.3-4 [42.4 kB] Get: 111 http://deb.debian.org/debian trixie/main amd64 libkadm5srv-mit12 amd64 1.21.3-4 [54.2 kB] Get: 112 http://deb.debian.org/debian trixie/main amd64 krb5-multidev amd64 1.21.3-4 [126 kB] Get: 113 http://deb.debian.org/debian trixie/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB] Get: 114 http://deb.debian.org/debian trixie/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B] Get: 115 http://deb.debian.org/debian trixie/main amd64 libaec-dev amd64 1.1.3-1+b1 [21.5 kB] Get: 116 http://deb.debian.org/debian trixie/main amd64 libedit2 amd64 3.1-20250104-1 [93.8 kB] Get: 117 http://deb.debian.org/debian trixie/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 118 http://deb.debian.org/debian trixie/main amd64 libllvm17t64 amd64 1:17.0.6-21 [23.6 MB] Get: 119 http://deb.debian.org/debian trixie/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get: 120 http://deb.debian.org/debian trixie/main amd64 libdrm-common all 2.4.124-1 [8180 B] Get: 121 http://deb.debian.org/debian trixie/main amd64 libdrm2 amd64 2.4.124-1 [38.9 kB] Get: 122 http://deb.debian.org/debian trixie/main amd64 libdrm-amdgpu1 amd64 2.4.124-1 [22.4 kB] Get: 123 http://deb.debian.org/debian trixie/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB] Get: 124 http://deb.debian.org/debian trixie/main amd64 libhsakmt1 amd64 6.2.4+ds-1 [61.1 kB] Get: 125 http://deb.debian.org/debian trixie/main amd64 libhsa-runtime64-1 amd64 6.1.2-3 [535 kB] Get: 126 http://deb.debian.org/debian trixie/main amd64 libamdhip64-5 amd64 5.7.1-5+b1 [8882 kB] Get: 127 http://deb.debian.org/debian trixie/main amd64 libblas-dev amd64 3.12.1-2 [170 kB] Get: 128 http://deb.debian.org/debian trixie/main amd64 libbrotli-dev amd64 1.1.0-2+b7 [316 kB] Get: 129 http://deb.debian.org/debian trixie/main amd64 libctl7t64 amd64 4.5.1-3 [111 kB] Get: 130 http://deb.debian.org/debian trixie/main amd64 libctl-dev amd64 4.5.1-3 [105 kB] Get: 131 http://deb.debian.org/debian trixie/main amd64 libidn2-0 amd64 2.3.7-2+b1 [129 kB] Get: 132 http://deb.debian.org/debian trixie/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-9 [19.8 kB] Get: 133 http://deb.debian.org/debian trixie/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-9 [57.5 kB] Get: 134 http://deb.debian.org/debian trixie/main amd64 libldap2 amd64 2.6.9+dfsg-1 [192 kB] Get: 135 http://deb.debian.org/debian trixie/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 136 http://deb.debian.org/debian trixie/main amd64 libnghttp3-9 amd64 1.8.0-1 [67.7 kB] Get: 137 http://deb.debian.org/debian trixie/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 138 http://deb.debian.org/debian trixie/main amd64 libp11-kit0 amd64 0.25.5-3 [425 kB] Get: 139 http://deb.debian.org/debian trixie/main amd64 libtasn1-6 amd64 4.20.0-2 [49.9 kB] Get: 140 http://deb.debian.org/debian trixie/main amd64 libgnutls30t64 amd64 3.8.9-2 [1464 kB] Get: 141 http://deb.debian.org/debian trixie/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 142 http://deb.debian.org/debian trixie/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 143 http://deb.debian.org/debian trixie/main amd64 libcurl4t64 amd64 8.12.1-3 [369 kB] Get: 144 http://deb.debian.org/debian trixie/main amd64 libidn2-dev amd64 2.3.7-2+b1 [123 kB] Get: 145 http://deb.debian.org/debian trixie/main amd64 libkrb5-dev amd64 1.21.3-4 [15.9 kB] Get: 146 http://deb.debian.org/debian trixie/main amd64 libldap-dev amd64 2.6.9+dfsg-1 [307 kB] Get: 147 http://deb.debian.org/debian trixie/main amd64 libnghttp2-dev amd64 1.64.0-1 [115 kB] Get: 148 http://deb.debian.org/debian trixie/main amd64 libnghttp3-dev amd64 1.8.0-1 [91.3 kB] Get: 149 http://deb.debian.org/debian trixie/main amd64 libpsl-dev amd64 0.21.2-1.1+b1 [77.6 kB] Get: 150 http://deb.debian.org/debian trixie/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10+b1 [182 kB] Get: 151 http://deb.debian.org/debian trixie/main amd64 libunbound8 amd64 1.22.0-1+b1 [598 kB] Get: 152 http://deb.debian.org/debian trixie/main amd64 libgnutls-dane0t64 amd64 3.8.9-2 [455 kB] Get: 153 http://deb.debian.org/debian trixie/main amd64 libgnutls-openssl27t64 amd64 3.8.9-2 [455 kB] Get: 154 http://deb.debian.org/debian trixie/main amd64 libp11-kit-dev amd64 0.25.5-3 [208 kB] Get: 155 http://deb.debian.org/debian trixie/main amd64 libtasn1-6-dev amd64 4.20.0-2 [99.2 kB] Get: 156 http://deb.debian.org/debian trixie/main amd64 nettle-dev amd64 3.10.1-1 [1318 kB] Get: 157 http://deb.debian.org/debian trixie/main amd64 libgnutls28-dev amd64 3.8.9-2 [1401 kB] Get: 158 http://deb.debian.org/debian trixie/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get: 159 http://deb.debian.org/debian trixie/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b5 [68.0 kB] Get: 160 http://deb.debian.org/debian trixie/main amd64 libssl-dev amd64 3.4.1-1 [2787 kB] Get: 161 http://deb.debian.org/debian trixie/main amd64 libssh2-1-dev amd64 1.11.1-1 [393 kB] Get: 162 http://deb.debian.org/debian trixie/main amd64 libzstd-dev amd64 1.5.6+dfsg-2 [365 kB] Get: 163 http://deb.debian.org/debian trixie/main amd64 libcurl4-openssl-dev amd64 8.12.1-3 [483 kB] Get: 164 http://deb.debian.org/debian trixie/main amd64 libdeflate0 amd64 1.23-1+b1 [47.5 kB] Get: 165 http://deb.debian.org/debian trixie/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get: 166 http://deb.debian.org/debian trixie/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get: 167 http://deb.debian.org/debian trixie/main amd64 libexpat1-dev amd64 2.6.4-1 [158 kB] Get: 168 http://deb.debian.org/debian trixie/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 169 http://deb.debian.org/debian trixie/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 170 http://deb.debian.org/debian trixie/main amd64 librdmacm1t64 amd64 55.0-1 [70.2 kB] Get: 171 http://deb.debian.org/debian trixie/main amd64 libfabric1 amd64 1.17.0-3.1 [631 kB] Get: 172 http://deb.debian.org/debian trixie/main amd64 libfftw3-double3 amd64 3.3.10-2+b1 [781 kB] Get: 173 http://deb.debian.org/debian trixie/main amd64 libfftw3-long3 amd64 3.3.10-2+b1 [347 kB] Get: 174 http://deb.debian.org/debian trixie/main amd64 libfftw3-quad3 amd64 3.3.10-2+b1 [618 kB] Get: 175 http://deb.debian.org/debian trixie/main amd64 libfftw3-single3 amd64 3.3.10-2+b1 [809 kB] Get: 176 http://deb.debian.org/debian trixie/main amd64 libfftw3-bin amd64 3.3.10-2+b1 [51.3 kB] Get: 177 http://deb.debian.org/debian trixie/main amd64 libfftw3-dev amd64 3.3.10-2+b1 [2118 kB] Get: 178 http://deb.debian.org/debian trixie/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB] Get: 179 http://deb.debian.org/debian trixie/main amd64 libgpg-error0 amd64 1.51-3 [82.2 kB] Get: 180 http://deb.debian.org/debian trixie/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB] Get: 181 http://deb.debian.org/debian trixie/main amd64 libgdsii0 amd64 0.2+ds.1-1+b2 [31.9 kB] Get: 182 http://deb.debian.org/debian trixie/main amd64 libgdsii-dev amd64 0.2+ds.1-1+b2 [36.2 kB] Get: 183 http://deb.debian.org/debian trixie/main amd64 libglib2.0-0t64 amd64 2.83.4-1 [1512 kB] Get: 184 http://deb.debian.org/debian trixie/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 185 http://deb.debian.org/debian trixie/main amd64 libgslcblas0 amd64 2.8+dfsg-5 [116 kB] Get: 186 http://deb.debian.org/debian trixie/main amd64 libgsl28 amd64 2.8+dfsg-5 [994 kB] Get: 187 http://deb.debian.org/debian trixie/main amd64 libgsl-dev amd64 2.8+dfsg-5 [1222 kB] Get: 188 http://deb.debian.org/debian trixie/main amd64 libharfbuzz0b amd64 10.2.0-1 [479 kB] Get: 189 http://deb.debian.org/debian trixie/main amd64 libharminv3 amd64 1.4.2-1 [18.0 kB] Get: 190 http://deb.debian.org/debian trixie/main amd64 libharminv-dev amd64 1.4.2-1 [15.8 kB] Get: 191 http://deb.debian.org/debian trixie/main amd64 libhdf5-310 amd64 1.14.5+repack-3 [1344 kB] Get: 192 http://deb.debian.org/debian trixie/main amd64 libhdf5-cpp-310 amd64 1.14.5+repack-3 [133 kB] Get: 193 http://deb.debian.org/debian trixie/main amd64 libhdf5-fortran-310 amd64 1.14.5+repack-3 [111 kB] Get: 194 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [69.3 kB] Get: 195 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-fortran-310 amd64 1.14.5+repack-3 [43.9 kB] Get: 196 http://deb.debian.org/debian trixie/main amd64 libhdf5-hl-cpp-310 amd64 1.14.5+repack-3 [24.4 kB] Get: 197 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB] Get: 198 http://deb.debian.org/debian trixie/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3.1 [292 kB] Get: 199 http://deb.debian.org/debian trixie/main amd64 libjpeg-dev amd64 1:2.1.5-3.1 [72.0 kB] Get: 200 http://deb.debian.org/debian trixie/main amd64 libhdf5-dev amd64 1.14.5+repack-3 [3165 kB] Get: 201 http://deb.debian.org/debian trixie/main amd64 libhwloc15 amd64 2.12.0-1 [164 kB] Get: 202 http://deb.debian.org/debian trixie/main amd64 libmunge2 amd64 0.5.16-1 [19.7 kB] Get: 203 http://deb.debian.org/debian trixie/main amd64 libpciaccess0 amd64 0.17-3+b3 [51.9 kB] Get: 204 http://deb.debian.org/debian trixie/main amd64 libxnvctrl0 amd64 535.171.04-1+b2 [14.2 kB] Get: 205 http://deb.debian.org/debian trixie/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB] Get: 206 http://deb.debian.org/debian trixie/main amd64 libhwloc-plugins amd64 2.12.0-1 [18.1 kB] Get: 207 http://deb.debian.org/debian trixie/main amd64 libpmix2t64 amd64 5.0.6-5 [651 kB] Get: 208 http://deb.debian.org/debian trixie/main amd64 libibumad3 amd64 55.0-1 [28.5 kB] Get: 209 http://deb.debian.org/debian trixie/main amd64 libibmad5 amd64 55.0-1 [43.3 kB] Get: 210 http://deb.debian.org/debian trixie/main amd64 libucx0 amd64 1.18.1+ds-1 [1197 kB] Get: 211 http://deb.debian.org/debian trixie/main amd64 libopenmpi40 amd64 5.0.7-1 [2365 kB] Get: 212 http://deb.debian.org/debian trixie/main amd64 libhdf5-openmpi-310 amd64 1.14.5+repack-3 [1395 kB] Get: 213 http://deb.debian.org/debian trixie/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 214 http://deb.debian.org/debian trixie/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 215 http://deb.debian.org/debian trixie/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 216 http://deb.debian.org/debian trixie/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 217 http://deb.debian.org/debian trixie/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 218 http://deb.debian.org/debian trixie/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 219 http://deb.debian.org/debian trixie/main amd64 liblapack-dev amd64 3.12.1-2 [4998 kB] Get: 220 http://deb.debian.org/debian trixie/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b2 [29.4 kB] Get: 221 http://deb.debian.org/debian trixie/main amd64 liblcms2-2 amd64 2.16-2 [160 kB] Get: 222 http://deb.debian.org/debian trixie/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 223 http://deb.debian.org/debian trixie/main amd64 liblzf1 amd64 3.6-4+b3 [10.1 kB] Get: 224 http://deb.debian.org/debian trixie/main amd64 libopenjp2-7 amd64 2.5.3-1 [204 kB] Get: 225 http://deb.debian.org/debian trixie/main amd64 libpython3.13 amd64 3.13.2-1 [2151 kB] Get: 226 http://deb.debian.org/debian trixie/main amd64 libpython3.13-dev amd64 3.13.2-1 [5005 kB] Get: 227 http://deb.debian.org/debian trixie/main amd64 libpython3-dev amd64 3.13.2-1 [10.3 kB] Get: 228 http://deb.debian.org/debian trixie/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB] Get: 229 http://deb.debian.org/debian trixie/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB] Get: 230 http://deb.debian.org/debian trixie/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB] Get: 231 http://deb.debian.org/debian trixie/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB] Get: 232 http://deb.debian.org/debian trixie/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 233 http://deb.debian.org/debian trixie/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB] Get: 234 http://deb.debian.org/debian trixie/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB] Get: 235 http://deb.debian.org/debian trixie/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 236 http://deb.debian.org/debian trixie/main amd64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 237 http://deb.debian.org/debian trixie/main amd64 mpb amd64 1.11.1-6+b2 [218 kB] Get: 238 http://deb.debian.org/debian trixie/main amd64 mpb-dev amd64 1.11.1-6+b2 [8448 B] Get: 239 http://deb.debian.org/debian trixie/main amd64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 240 http://deb.debian.org/debian trixie/main amd64 python3-attr all 25.1.0-1 [68.7 kB] Get: 241 http://deb.debian.org/debian trixie/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 242 http://deb.debian.org/debian trixie/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB] Get: 243 http://deb.debian.org/debian trixie/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB] Get: 244 http://deb.debian.org/debian trixie/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 245 http://deb.debian.org/debian trixie/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 246 http://deb.debian.org/debian trixie/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 247 http://deb.debian.org/debian trixie/main amd64 python3.13-dev amd64 3.13.2-1 [507 kB] Get: 248 http://deb.debian.org/debian trixie/main amd64 python3-dev amd64 3.13.2-1 [26.1 kB] Get: 249 http://deb.debian.org/debian trixie/main amd64 python3-pytz all 2025.1-3 [150 kB] Get: 250 http://deb.debian.org/debian trixie/main amd64 python3-tz all 2025.1-3 [4004 B] Get: 251 http://deb.debian.org/debian trixie/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 252 http://deb.debian.org/debian trixie/main amd64 python3-fs all 2.4.16-6 [95.1 kB] Get: 253 http://deb.debian.org/debian trixie/main amd64 python3-lxml amd64 5.3.1-1+b1 [1288 kB] Get: 254 http://deb.debian.org/debian trixie/main amd64 python3-lz4 amd64 4.4.0+dfsg-1+b1 [25.5 kB] Get: 255 http://deb.debian.org/debian trixie/main amd64 python3-scipy amd64 1.14.1-4+b1 [17.1 MB] Get: 256 http://deb.debian.org/debian trixie/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 257 http://deb.debian.org/debian trixie/main amd64 python3-sympy all 1.13.3-5 [4148 kB] Get: 258 http://deb.debian.org/debian trixie/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 259 http://deb.debian.org/debian trixie/main amd64 python3-unicodedata2 amd64 15.1.0+ds-1+b4 [299 kB] Get: 260 http://deb.debian.org/debian trixie/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 261 http://deb.debian.org/debian trixie/main amd64 python3-fonttools amd64 4.55.3-2+b1 [1448 kB] Get: 262 http://deb.debian.org/debian trixie/main amd64 python3-h5py-serial amd64 3.13.0-1+b1 [1065 kB] Get: 263 http://deb.debian.org/debian trixie/main amd64 python3-h5py all 3.13.0-1 [15.0 kB] Get: 264 http://deb.debian.org/debian trixie/main amd64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 265 http://deb.debian.org/debian trixie/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 266 http://deb.debian.org/debian trixie/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 267 http://deb.debian.org/debian trixie/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 268 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 269 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 270 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 271 http://deb.debian.org/debian trixie/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 272 http://deb.debian.org/debian trixie/main amd64 python3-setuptools all 75.8.0-1 [724 kB] Get: 273 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B] Get: 274 http://deb.debian.org/debian trixie/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB] Get: 275 http://deb.debian.org/debian trixie/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB] Get: 276 http://deb.debian.org/debian trixie/main amd64 python3.12-tk amd64 3.12.9-1 [113 kB] Get: 277 http://deb.debian.org/debian trixie/main amd64 python3.13-tk amd64 3.13.2-1 [103 kB] Get: 278 http://deb.debian.org/debian trixie/main amd64 python3-tk amd64 3.13.1-1+b1 [9760 B] Get: 279 http://deb.debian.org/debian trixie/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB] Get: 280 http://deb.debian.org/debian trixie/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 281 http://deb.debian.org/debian trixie/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 282 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 283 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB] Get: 284 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB] Fetched 241 MB in 15s (15.9 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19800 files and directories currently installed.) Preparing to unpack .../libpython3.13-minimal_3.13.2-1_amd64.deb ... Unpacking libpython3.13-minimal:amd64 (3.13.2-1) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../python3.13-minimal_3.13.2-1_amd64.deb ... Unpacking python3.13-minimal (3.13.2-1) ... Setting up libpython3.13-minimal:amd64 (3.13.2-1) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.13-minimal (3.13.2-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20134 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.13.2-1_amd64.deb ... Unpacking python3-minimal (3.13.2-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_12.0.0_all.deb ... Unpacking media-types (12.0.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2025a-2_all.deb ... Unpacking tzdata (2025a-2) ... Selecting previously unselected package libffi8:amd64. Preparing to unpack .../4-libffi8_3.4.7-1_amd64.deb ... Unpacking libffi8:amd64 (3.4.7-1) ... Selecting previously unselected package readline-common. Preparing to unpack .../5-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../6-libreadline8t64_8.2-6_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-6) ... Selecting previously unselected package libpython3.13-stdlib:amd64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3.13-stdlib:amd64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_amd64.deb ... Unpacking python3.13 (3.13.2-1) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../9-libpython3-stdlib_3.13.2-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.13.2-1) ... Setting up python3-minimal (3.13.2-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21144 files and directories currently installed.) Preparing to unpack .../000-python3_3.13.2-1_amd64.deb ... Unpacking python3 (3.13.2-1) ... Selecting previously unselected package python3-numpy-dev:amd64. 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Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-9) ... Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' Local time is now: Mon Mar 10 07:27:48 UTC 2025. Universal Time is now: Mon Mar 10 07:27:48 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.13.3-1) ... Setting up libblas3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libunbound8:amd64 (1.22.0-1+b1) ... Setting up libpkgconf3:amd64 (1.8.1-4) ... Setting up libgmpxx4ldbl:amd64 (2:6.3.0+dfsg-3) ... Setting up libmunge2:amd64 (0.5.16-1) ... Setting up libexpat1-dev:amd64 (2.6.4-1) ... Setting up libjpeg62-turbo:amd64 (1:2.1.5-3.1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libjpeg62-turbo-dev:amd64 (1:2.1.5-3.1) ... Setting up ed (1.21-1) ... Setting up libncurses6:amd64 (6.5+20250216-1) ... Setting up liblzf1:amd64 (3.6-4+b3) ... Setting up libfftw3-quad3:amd64 (3.3.10-2+b1) ... Setting up libfribidi0:amd64 (1.0.16-1) ... Setting up diffstat (1.67-1) ... Setting up libimagequant0:amd64 (2.18.0-1+b2) ... Setting up comerr-dev:amd64 (2.1-1.47.2-1) ... Setting up libunistring5:amd64 (1.3-1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:amd64 (3.4.1-1) ... Setting up libpng16-16t64:amd64 (1.6.47-1) ... Setting up libhwloc15:amd64 (2.12.0-1) ... Setting up python3-numpy-dev:amd64 (1:2.2.3+ds-2+b1) ... Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ... Setting up autopoint (0.23.1-1) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:amd64 (1.21.3-4) ... Setting up libgc1:amd64 (1:8.2.8-1) ... Setting up libltdl7:amd64 (2.5.4-4) ... Setting up libfftw3-double3:amd64 (3.3.10-2+b1) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-9) ... Setting up libgfortran5:amd64 (14.2.0-17) ... Setting up autoconf (2.72-3) ... Setting up libnghttp3-9:amd64 (1.8.0-1) ... Setting up libwebp7:amd64 (1.5.0-0.1) ... Setting up libnghttp3-dev:amd64 (1.8.0-1) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libffi8:amd64 (3.4.7-1) ... Setting up libnuma1:amd64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ... Setting up libtiff6:amd64 (4.5.1+git230720-5) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... Setting up libnl-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up libtasn1-6:amd64 (4.20.0-2) ... Setting up libopenjp2-7:amd64 (2.5.3-1) ... Setting up libx11-6:amd64 (2:1.8.10-2) ... Setting up netbase (6.4) ... Setting up libkrb5-3:amd64 (1.21.3-4) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... 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Setting up libblas-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsz2:amd64 (1.1.3-1+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:amd64 (14.2.0-17) ... Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up liblapack3:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libncurses-dev:amd64 (6.5+20250216-1) ... Setting up gettext (0.23.1-1) ... Setting up libgsl-dev (2.8+dfsg-5) ... Setting up libgmp-dev:amd64 (2:6.3.0+dfsg-3) ... Setting up nettle-dev:amd64 (3.10.1-1) ... 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Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-21) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libldap-dev:amd64 (2.6.9+dfsg-1) ... Setting up libp11-kit0:amd64 (0.25.5-3) ... Setting up liblapack-dev:amd64 (3.12.1-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.21.3-4) ... Setting up libssh2-1-dev:amd64 (1.11.1-1) ... Setting up libidn2-dev:amd64 (2.3.7-2+b1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:amd64 (2.4.124-1) ... Setting up groff-base (1.23.0-7) ... Setting up libxslt1.1:amd64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:amd64 (10.2.0-1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:amd64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:amd64 (2.15.0-2) ... Setting up gfortran-14 (14.2.0-17) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libpython3.13-stdlib:amd64 (3.13.2-1) ... Setting up libfftw3-dev:amd64 (3.3.10-2+b1) ... Setting up libp11-kit-dev:amd64 (0.25.5-3) ... Setting up libpython3-stdlib:amd64 (3.13.2-1) ... Setting up liblbfgsb0:amd64 (3.0+dfsg.4-1+b2) ... Setting up libdrm-amdgpu1:amd64 (2.4.124-1) ... Setting up libpython3.13:amd64 (3.13.2-1) ... Setting up libgnutls30t64:amd64 (3.8.9-2) ... Setting up libgnutls-openssl27t64:amd64 (3.8.9-2) ... Setting up libnghttp2-dev:amd64 (1.64.0-1) ... Setting up libibverbs1:amd64 (55.0-1) ... Setting up libxft2:amd64 (2.3.6-1+b4) ... Setting up ibverbs-providers:amd64 (55.0-1) ... Setting up python3.13 (3.13.2-1) ... Setting up guile-3.0-libs:amd64 (3.0.10+really3.0.10-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up libpsl5t64:amd64 (0.21.2-1.1+b1) ... Setting up libctl7t64:amd64 (4.5.1-3) ... Setting up python3 (3.13.2-1) ... Setting up libreadline-dev:amd64 (8.2-6) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:amd64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran-x86-64-linux-gnu (4:14.2.0-1) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.2-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up libpsl-dev:amd64 (0.21.2-1.1+b1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up libgnutls-dane0t64:amd64 (3.8.9-2) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libgssrpc4t64:amd64 (1.21.3-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:amd64 (0.10.2-1) ... Setting up libpython3.13-dev:amd64 (3.13.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libpmix2t64:amd64 (5.0.6-5) ... Setting up python3-numpy (1:2.2.3+ds-2+b1) ... Setting up python3-lxml:amd64 (5.3.1-1+b1) ... Setting up librdmacm1t64:amd64 (55.0-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up guile-3.0 (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:amd64 (6.2.4+ds-1) ... Setting up libkadm5clnt-mit12:amd64 (1.21.3-4) ... Setting up libgnutls28-dev:amd64 (3.8.9-2) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up libfabric1:amd64 (1.17.0-3.1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-8) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up libpython3-dev:amd64 (3.13.2-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up libcurl4t64:amd64 (8.12.1-3) ... Setting up libkdb5-10t64:amd64 (1.21.3-4) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3.13-dev (3.13.2-1) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b4) ... Setting up blt (2.5.3+dfsg-8) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-tk:amd64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:amd64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.13.2-1) ... Setting up librtmp-dev:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libhdf5-310:amd64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-3) ... Setting up libkadm5srv-mit12:amd64 (1.21.3-4) ... Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-fortran-310:amd64 (1.14.5+repack-3) ... Setting up krb5-multidev:amd64 (1.21.3-4) ... Setting up libhdf5-cpp-310:amd64 (1.14.5+repack-3) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up libctl-dev:amd64 (4.5.1-3) ... Setting up libkrb5-dev:amd64 (1.21.3-4) ... Setting up libamdhip64-5 (5.7.1-5+b1) ... Setting up libcurl4-openssl-dev:amd64 (8.12.1-3) ... Setting up python3-h5py (3.13.0-1) ... Setting up libhdf5-hl-cpp-310:amd64 (1.14.5+repack-3) ... Setting up libhdf5-hl-fortran-310:amd64 (1.14.5+repack-3) ... Setting up libucx0:amd64 (1.18.1+ds-1) ... Setting up libhdf5-dev (1.14.5+repack-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libopenmpi40:amd64 (5.0.7-1) ... Setting up libhdf5-openmpi-310:amd64 (1.14.5+repack-3) ... Setting up mpb (1.11.1-6+b2) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Processing triggers for libc-bin (2.40-7) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for trixie I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:236: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "amd64" = "i386" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether sleep supports fractional seconds... yes checking filesystem timestamp resolution... 0.01 checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking xargs -n works... yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for x86_64-linux-gnu-gcc... x86_64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether x86_64-linux-gnu-gcc accepts -g... yes checking for x86_64-linux-gnu-gcc option to enable C11 features... none needed checking whether x86_64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of x86_64-linux-gnu-gcc... none checking for x86_64-linux-gnu-g++... x86_64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether x86_64-linux-gnu-g++ accepts -g... yes checking for x86_64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of x86_64-linux-gnu-g++... none checking whether x86_64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... x86_64-pc-linux-gnu checking host system type... x86_64-pc-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by x86_64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/x86_64-linux-gnu-nm -B checking the name lister (/usr/bin/x86_64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert x86_64-pc-linux-gnu file names to x86_64-pc-linux-gnu format... func_convert_file_noop checking how to convert x86_64-pc-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for file... file checking for x86_64-linux-gnu-objdump... x86_64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for x86_64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for x86_64-linux-gnu-ranlib... x86_64-linux-gnu-ranlib checking for x86_64-linux-gnu-ar... x86_64-linux-gnu-ar checking for archiver @FILE support... @ checking for x86_64-linux-gnu-strip... x86_64-linux-gnu-strip checking command to parse /usr/bin/x86_64-linux-gnu-nm -B output from x86_64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for x86_64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if x86_64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for x86_64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-gcc static flag -static works... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-gcc linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking whether -lc should be explicitly linked in... no checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking how to run the C++ preprocessor... x86_64-linux-gnu-g++ -E checking for ld used by x86_64-linux-gnu-g++... /usr/bin/ld -m elf_x86_64 checking if the linker (/usr/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking for x86_64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-g++ PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-g++ static flag -static works... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for x86_64-linux-gnu-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl_intel_lp64... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... no checking for sys/time.h... yes checking for immintrin.h... yes checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python3... /usr/bin/python3 checking for python version... 3.13 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.13/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.13/site-packages checking for Python include directory... /usr/include/python3.13 checking for Python.h... yes checking for Numpy include directory... /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build make -j20 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 In file included from fields.cpp:25: meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] 2255 | timing_scope working_on; | ^~~~~~~~~~ meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] 1744 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:32:1: warning: when initialized here [-Wreorder] 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, | ^~~~~~ meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] 1506 | double beta; | ^~~~ meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] 1505 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:242:1: warning: when initialized here [-Wreorder] 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, | ^~~~~~~~~~~~ boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] 120 | switch 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-fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o structure.lo structure.cpp /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o structure_dump.lo structure_dump.cpp mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o susceptibility.lo susceptibility.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); | ^~ step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); | ^~~ In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 81 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o time.lo time.cpp /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_eh.lo update_eh.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o mpb.lo mpb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o vec.lo vec.cpp structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meepgeom.lo meepgeom.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; | ^~~ step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; | ^~~ step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && x86_64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a") libtool: link: x86_64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 817 (offset 66 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36083 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36148 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36209 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare] 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: x86_64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1644: Warning 362: operator= ignored ../src/meep.hpp:1644: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.29.0'" >> __init__.py if [[ "4.3.0" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.3.0" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7530 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7532 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7576 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter] 7577 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7590 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter] 25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter] 126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter] 126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter] 126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter] 126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter] 126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter] 126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter] 126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") libtool: link: x86_64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' echo amd64 amd64 if [ "amd64" = "armel" ] || \ [ "amd64" = "riscv64" ] || \ [ "amd64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bench.o bench.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bench bench.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bragg_transmission bragg_transmission.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu 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-Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o pw-source-ll pw-source-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/pw-source-ll pw-source-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas 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-Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o ring-ll ring-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/ring-ll ring-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 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cyl-ellipsoid-ll cyl-ellipsoid-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/cyl-ellipsoid-ll cyl-ellipsoid-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 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absorber-1d-ll absorber-1d-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/absorber-1d-ll absorber-1d-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 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array-slice-ll array-slice-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/array-slice-ll array-slice-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 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-o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/user-defined-material user-defined-material.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 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dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu 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-lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu 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-L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py FAIL: tests/test_mode_decomposition.py PASS: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py FAIL: tests/test_pml_cyl.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py PASS: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_verbosity_mgr.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log for debugging. ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory 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./python/tests/data/nonconvex_prism_vertices2.npz ./python/tests/data/convex_prism_vertices.npz ./python/tests/data/tutorial-epsilon.h5 ./python/tests/data/strip-flux.v.k01.b04.x.h5 ./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 ./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 ./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 ./python/tests/data/tutorial-C.k16.b08.te.h5 ./python/tests/data/spiral.gds ./python/tests/data/subpixel_avg-epsilon.h5 ./python/tests/data/tutorial-te-eigenvectors.h5 ./python/tests/data/cavity_arrayslice_1d.npy ./python/tests/data/cavity_arrayslice_2d.npy ./python/tests/data/cavity-farfield-4-freqs.h5 ./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 ./python/tests/data/mpa_unfilter_design_target.npy ./python/tests/test_binary_grating.trs ./python/tests/test_ldos.py ./python/tests/test_diffracted_planewave.py ./python/tests/test_absorber_1d.py ./python/tests/test_cavity_arrayslice.log 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./python/tests/test_faraday_rotation.py ./python/tests/test_dump_load.log ./python/tests/test_chunk_balancer.log ./python/tests/test_mode_coeffs.py ./python/tests/test_conductivity.log ./python/tests/test_integrated_source.log ./python/tests/test_cyl_ellipsoid.trs ./python/tests/test_multilevel_atom.log ./python/tests/test_verbosity_mgr.trs ./python/tests/test_chunk_layout.log ./python/vec.i ./python/adjoint ./python/adjoint/__pycache__ ./python/adjoint/__pycache__/optimization_problem.cpython-313.pyc ./python/adjoint/__pycache__/objective.cpython-313.pyc ./python/adjoint/__pycache__/filter_source.cpython-313.pyc ./python/adjoint/__pycache__/basis.cpython-313.pyc ./python/adjoint/__pycache__/utils.cpython-313.pyc ./python/adjoint/__pycache__/__init__.cpython-313.pyc ./python/adjoint/connectivity.py ./python/adjoint/filters.py ./python/adjoint/objective.py ./python/adjoint/__init__.py ./python/adjoint/optimization_problem.py ./python/adjoint/basis.py ./python/adjoint/wrapper.py ./python/adjoint/filter_source.py ./python/adjoint/utils.py ./python/adjoint/unfilter_design.py ./python/test-suite.log ./python/_mpb_la-mpb-python.o ./python/meep.py ./python/visualization.py ./python/examples ./python/examples/mie_scattering.py ./python/examples/metasurface_lens.py ./python/examples/faraday-rotation.py ./python/examples/holey-wvg-bands.py ./python/examples/cavity-farfield.py ./python/examples/mpb_honey_rods.py ./python/examples/phase_in_material.py ./python/examples/perturbation_theory.py ./python/examples/oblique-planewave.ipynb ./python/examples/ring-mode-overlap.py ./python/examples/ring_gds.py ./python/examples/mpb_sq_rods.py ./python/examples/finite_grating.py ./python/examples/cavity_arrayslice.py ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_bragg.cpython-313.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_sq_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_line_defect.cpython-313.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_diamond.cpython-313.pyc ./python/examples/__pycache__/mpb_tri_holes.cpython-313.pyc ./python/examples/__pycache__/mpb_strip.cpython-313.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-313.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-313.pyc ./python/examples/cavity-farfield.ipynb ./python/examples/coupler.ipynb ./python/examples/binary_grating_oblique.ipynb ./python/examples/refl-quartz.ipynb ./python/examples/binary_grating_oblique.py ./python/examples/disc_extraction_efficiency.py ./python/examples/bent-waveguide.ipynb ./python/examples/wvg-src.py ./python/examples/cylinder_cross_section.py ./python/examples/metal-cavity-ldos.py ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb 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./python/examples/media/visualization_normalize.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 ./python/examples/media/ring_simple.mp4 ./python/examples/media/bent_waveguide.mp4 ./python/examples/media/oblique-source-normal.mp4 ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/visualization_demo.mp4 ./python/examples/media/hole-wvg-cavity-res.mp4 ./python/examples/media/straight_waveguide.mp4 ./python/examples/metal-cavity-ldos.ipynb ./python/examples/absorber-1d.py ./python/examples/mode-decomposition.py ./python/examples/mpb_tutorial.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/parallel-wvgs-force.py ./python/examples/extraction_eff_ldos.py ./python/examples/holey-wvg-cavity.py ./python/examples/stochastic_emitter_line.py ./python/examples/mode-decomposition.ipynb ./python/examples/gaussian-beam.py ./python/examples/eps_fit_lorentzian.py ./python/examples/parallel-wvgs-mpb.py ./python/examples/README.md 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./src/.libs/integrate2.o ./src/.libs/initialize.o ./src/.libs/cw_fields.o ./src/.libs/update_pols.o ./src/.libs/h5fields.o ./src/.libs/anisotropic_averaging.o ./src/.libs/libmeep.la ./src/.libs/structure_dump.o ./src/.libs/fix_boundary_sources.o ./src/.libs/h5file.o ./src/.libs/bands.o ./src/.libs/step_generic.o ./src/.libs/monitor.o ./src/.libs/bicgstab.o ./src/.libs/step_generic_stride1.o ./src/.libs/mpb.o ./src/.libs/multilevel-atom.o ./src/.libs/libmeep.so.33.0.0 ./src/.libs/array_slice.o ./src/.libs/update_eh.o ./src/.libs/output_directory.o ./src/.libs/dft.o ./src/.libs/dft_ldos.o ./src/.libs/stress.o ./src/.libs/mympi.o ./src/.libs/random.o ./src/.libs/susceptibility.o ./src/susceptibility.lo ./src/array_slice.o ./src/anisotropic_averaging.cpp ./src/fields.cpp ./src/update_eh.o ./src/output_directory.o ./src/fields_dump.lo ./src/casimir.lo ./src/dft.o ./src/material_data.lo ./src/dft_ldos.o ./src/stress.o ./src/vec.lo ./src/mympi.o ./src/dft.cpp ./src/fields.lo ./src/random.o ./src/loop_in_chunks.cpp ./src/susceptibility.o ./src/meepgeom.lo ./missing ./scheme ./scheme/meep_op_renames.i ./scheme/meep_renames.i ./scheme/Makefile.am ./scheme/meep_wrap.cxx ./scheme/structure.cpp ./scheme/meep-ctl-swig.hpp ./scheme/Makefile.in ./scheme/meep ./scheme/Makefile ./scheme/meep_enum_renames.i ./scheme/meep_wrap.cxx.bak ./scheme/meep-main.o ./scheme/meep-enums.scm ./scheme/meep-meep.o ./scheme/meep.scm ./scheme/meep_wrap.cxx.orig ./scheme/main.cpp ./scheme/ctl-io.h ./scheme/casimir.scm ./scheme/meep-meep_wrap.o ./scheme/meep_swig_bug_workaround.i ./scheme/meep-geom.o ./scheme/ctl-io.i ./scheme/meep_wrap.patch ./scheme/meep-ctl-const.hpp ./scheme/meep-ctl-io.o ./scheme/ctl-io.cpp ./scheme/materials.scm ./scheme/geom.cpp ./scheme/examples ./scheme/examples/mie-scattering.ctl ./scheme/examples/solve-cw.ctl ./scheme/examples/3rd-harm-1d.ctl ./scheme/examples/holey-wvg-bands.ctl ./scheme/examples/refl-angular-kz2d.ctl ./scheme/examples/holey-wvg-cavity.ctl ./scheme/examples/cavity-farfield.ctl ./scheme/examples/oblique-source.ctl ./scheme/examples/binary_grating_n2f.ctl ./scheme/examples/faraday-rotation.ctl ./scheme/examples/cherenkov-radiation.ctl ./scheme/examples/mode-coeffs.ctl ./scheme/examples/polarization_grating.ctl ./scheme/examples/binary_grating_phasemap.ctl ./scheme/examples/metasurface_lens_farfield.ctl ./scheme/examples/metal-cavity-ldos.ctl ./scheme/examples/material-dispersion.ctl ./scheme/examples/parallel-wvgs-mpb.ctl ./scheme/examples/mode-decomposition.ctl ./scheme/examples/finite_grating.ctl ./scheme/examples/cylinder-cross-section.ctl ./scheme/examples/refl-angular.ctl ./scheme/examples/ring-cyl.ctl ./scheme/examples/pw-source.ctl ./scheme/examples/chirped-pulse.ctl ./scheme/examples/wvg_src.ctl ./scheme/examples/bent-waveguide.ctl ./scheme/examples/zone-plate.ctl ./scheme/examples/stochastic-emitter.ctl ./scheme/examples/straight-waveguide.ctl ./scheme/examples/metasurface_lens_phasemap.ctl ./scheme/examples/ring.ctl ./scheme/examples/multilevel-atom.ctl ./scheme/examples/oblique-planewave.ctl ./scheme/examples/antenna-radiation.ctl ./scheme/examples/refl-quartz.ctl ./scheme/examples/perturbation-theory-2d.ctl ./scheme/examples/perturbation-theory.ctl ./scheme/examples/group-velocity.ctl ./scheme/examples/absorbed-power-density.ctl ./scheme/examples/bend-flux.ctl ./scheme/examples/differential-cross-section.ctl ./scheme/examples/parallel-wvgs-force.ctl ./scheme/examples/gaussian-beam.ctl ./scheme/examples/binary_grating_oblique.ctl ./scheme/examples/binary_grating.ctl ./scheme/meep.cpp ./scheme/meep-ctl.hpp ./scheme/.libs ./scheme/.libs/meep ./scheme/meep-structure.o ./scheme/meep.i ./scheme/meep.scm.in ======================================== meep 1.29.0: python/test-suite.log ======================================== # TOTAL: 63 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 System information (uname -a): Linux 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" VERSION_CODENAME=trixie ID=debian HOME_URL="https://www.debian.org/" SUPPORT_URL="https://www.debian.org/support" BUG_REPORT_URL="https://bugs.debian.org/" .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-3r9ai30n because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 3.9058 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-a5drmgzu because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.6119 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-icrz48b2 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.7598 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-nb2q6ud1 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0386 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-dr_3ch8n because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0249 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-_pe2y1_u because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 6.9601 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-_2ou4knh because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 2.6607 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-5n9tkeh4 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepYM7cP9/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.022668123245239258 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525806 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653589 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.22742070896945 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595338 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.9599758521139403 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209035 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.880767945096899 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484458 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680406 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288497 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595174 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692499949 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.834767852380851 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477671 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347114 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531659 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026499 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416982 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360684 (0.00776977% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320745163302405 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030389 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035343 (0.00161738% change) linmin: converged after 5 iterations. iteration 24: trace = 0.8320296693273969 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490102705 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.8320231011390544 (0.000282188% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320218176827517 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241197 (9.04494e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 0.8320205764596332 (5.87322e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320203215524494 (3.06371e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8320202068535008 (1.37856e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439113906 (7.56497e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056783553 (4.59521e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829984286 (2.72589e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693469976 (1.64076e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200636022761 (6.90455e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8320200604496077 (3.78917e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8320200588885587 (1.87622e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8320200580360416 (1.02464e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200576147473 (5.06351e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8320200574061605 (2.50699e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8320200572926093 (1.36476e-08% change) linmin: converged after 7 iterations. iteration 43: trace = 0.8320200572316058 (7.33198e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981696 (4.01867e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8320200571762061 (2.63979e-09% change) linmin: converged after 7 iterations. iteration 46: trace = 0.8320200571626003 (1.63527e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8320200571545779 (9.64203e-10% change) linmin: converged after 8 iterations. iteration 48: trace = 0.8320200571500291 (5.46718e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 0.8320200571472443 (3.34713e-10% change) linmin: converged after 6 iterations. iteration 50: trace = 0.8320200571454032 (2.21279e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 0.832020057144456 (1.13835e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 1.2322378158569336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073580264 (1.48851% change) linmin: converged after 7 iterations. iteration 2: trace = 0.836415826892428 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576179084 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.834249341372225 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.832750686725621 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.831802239248742 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193315808 (0.0574123% change) linmin: converged after 7 iterations. iteration 8: trace = 0.8309940498476012 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497537 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965058 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188765283 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030385 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818053 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313088 (0.00170449% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8305386872319385 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462615 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791161 (0.000176617% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8305331675841146 (0.000114805% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8305322746123354 (3.69061e-05% change) linmin: converged after 13 iterations. iteration 21: trace = 0.8305320916748298 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893367 (1.07986e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8305319557055921 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924425 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092434 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197279 (1.43155e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8305318965921994 (9.18391e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8305318905537223 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8305318875556134 (3.60987e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8305318858786975 (2.01909e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8305318849630977 (1.10243e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.83053188455333 (4.9338e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8305318842111979 (4.11943e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8305318840358373 (2.11143e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8305318839403597 (1.1496e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001316 (4.84366e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8305318838746908 (3.06319e-09% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8305318838577103 (2.04454e-09% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8305318838472715 (1.25688e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 0.8305318838419795 (6.37181e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 0.8305318838394076 (3.09674e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8305318838374596 (2.34548e-10% change) linmin: converged after 11 iterations. iteration 43: trace = 0.8305318838359883 (1.77148e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.8305318838350267 (1.15777e-10% change) linmin: converged after 13 iterations. iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 1.9928624629974365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601013094 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083119653 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664943838 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918506055 (0.119613% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8311832900374694 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.830643239426455 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416616999911 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132785964 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559959648 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450117425 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209969028 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236590538 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420166465 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420039 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940682 (0.00049413% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8299288478334288 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859864951 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864058952 (0.000144541% change) linmin: converged after 3 iterations. iteration 19: trace = 0.829925065824703 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651354 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997327 (3.22397e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8299242050799012 (2.08236e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8299241006170164 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288709488 (8.6449e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8299239857346408 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673494 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095064 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817773 (6.17855e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8299239486790267 (2.53367e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8299239474471359 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467744979 (8.10482e-08% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8299239462912057 (5.82333e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822301 (2.51801e-08% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8299239459468974 (1.63066e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8299239458765889 (8.47168e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.829923945819853 (6.83628e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 0.8299239457895662 (3.64934e-09% change) linmin: converged after 18 iterations. iteration 38: trace = 0.8299239457730854 (1.98582e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.829923945762245 (1.30618e-09% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8299239457533897 (1.06701e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8299239457488127 (5.51497e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8299239457466062 (2.65863e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457753 (1.00117e-10% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 1.6674015522003174 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710375606 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464026576 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214250784 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434686574 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199989654 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396397916 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310408798 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777512345 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.828853635231303 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540905853 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8284802606975388 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573576957 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933128 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330452679 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017525594 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886158 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625777 (0.000707472% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8282850045905191 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111423 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842404 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330931 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972714 (4.1017e-05% change) linmin: converged after 10 iterations. iteration 23: trace = 0.8282810615722169 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635211562 (1.18379e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507056 (6.69706e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8282808797258175 (3.41972e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907806 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640866 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579752 (7.37203e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817696 (4.07616e-07% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8282808435852023 (2.53123e-07% change) linmin: converged after 22 iterations. iteration 32: trace = 0.8282808424976615 (1.31301e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8282808418243516 (8.12901e-08% change) linmin: converged after 26 iterations. iteration 34: trace = 0.8282808413684954 (5.50364e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.828280841140105 (2.7574e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8282808410003677 (1.68708e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8282808409003379 (1.20768e-08% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8282808408204219 (9.64843e-09% change) linmin: converged after 23 iterations. iteration 39: trace = 0.8282808407815202 (4.69668e-09% change) linmin: converged after 20 iterations. iteration 40: trace = 0.8282808407436588 (4.57108e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 0.8282808407148377 (3.47964e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 0.8282808406920071 (2.75637e-09% change) linmin: converged after 20 iterations. iteration 43: trace = 0.8282808406803962 (1.40181e-09% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8282808406737897 (7.97615e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 0.8282808406704854 (3.98942e-10% change) linmin: converged after 20 iterations. iteration 46: trace = 0.8282808406687542 (2.09008e-10% change) linmin: converged after 16 iterations. iteration 47: trace = 0.8282808406678079 (1.14242e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 2.559650421142578 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8297766891069731 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684665089 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084565217 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488851038 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.821302982849101 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591654698 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8200782988766928 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796506 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501049 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872542 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404151 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298404 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611286 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377106 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623282 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744633 (0.000194331% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8195753474397358 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742771 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734993 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048918 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680505 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620216 (2.88028e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8195746392254358 (1.29782e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8195746328348417 (7.79745e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8195746295494712 (4.00863e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.819574628150167 (1.70735e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.819574627240056 (1.11047e-07% change) linmin: converged after 13 iterations. iteration 29: trace = 0.8195746268100962 (5.24613e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8195746264084744 (1.34678e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 0.819574626315677 (1.13226e-08% change) linmin: converged after 21 iterations. iteration 33: trace = 0.8195746262714604 (5.39507e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8195746262510977 (2.48455e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8195746262406685 (1.27252e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 0.8195746262340663 (8.0556e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8195746262311594 (3.54684e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8195746262301516 (1.2296e-10% change) linmin: converged after 14 iterations. iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 1.4297356605529785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200978 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160611 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594326705 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531225 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327961 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218349 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190501 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418244 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.815302039455432 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511838 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958286 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8152664896382907 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375412 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738085 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303294074 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119021 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347021 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120725 (1.73837e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8152593920835799 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039602 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987894 (2.72369e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8152593247016553 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087749 (9.06813e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254384 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047849 (2.23322e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8152593112736251 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092139 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.815259310849337 (1.96106e-08% change) linmin: converged after 14 iterations. iteration 29: trace = 0.8152593107911468 (7.13763e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8152593107576603 (4.10746e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456161 (1.47735e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8152593107377915 (9.59772e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8152593107338367 (4.85088e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317029 (2.61739e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.815259310730681 (1.2534e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 1.8358831405639648 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.821370409986769 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691139 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603227 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631808 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594185 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067763 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413469 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.810170532140577 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866153 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.810127159684356 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539548 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189375 (0.000599572% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8101112551273704 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752453 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151842 (8.32554e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101090557261186 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543414 (5.14029e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8101088443461926 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233447 (1.2866e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101088287653664 (6.36702e-07% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8101088257061433 (3.77631e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653309 (2.2723e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101088226655317 (1.48103e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8101088219921039 (8.31281e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8101088216435341 (4.30275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8101088214253348 (2.69346e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419818 (1.02891e-08% change) linmin: converged after 7 iterations. iteration 31: trace = 0.810108821310263 (3.91538e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101088212925489 (2.18663e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8101088212829828 (1.18084e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101088212792965 (4.55034e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8101088212770267 (2.80191e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8101088212756522 (1.69663e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8101088212748287 (1.01647e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 2.1508359909057617 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711280252 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969772575 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.805333055837807 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609682 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835426756 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843842 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577098 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265869 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041444 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698008 (0.00357167% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8027995733459991 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323363 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539709 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8027839219051784 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.802783473220715 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213433 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655302 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738787 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936691 (2.14008e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027830866479161 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597426 (8.58037e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027830760515264 (4.6192e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8027830736191417 (3.02994e-07% change) linmin: converged after 23 iterations. iteration 25: trace = 0.8027830724307849 (1.4803e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.802783071757542 (8.38636e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027830715079969 (3.1085e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 0.8027830713939035 (1.42122e-08% change) linmin: converged after 12 iterations. iteration 29: trace = 0.8027830713270424 (8.32866e-09% change) linmin: converged after 22 iterations. iteration 30: trace = 0.802783071298987 (3.49477e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027830712879676 (1.37265e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8027830712796175 (1.04014e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027830712735204 (7.59484e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713145 (2.74782e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 0.8027830712698051 (1.88028e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027830712687665 (1.29377e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 1.5057144165039062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225888147 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588192878 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136602734 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724598679 (0.0823728% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8032567356251885 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650606 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048993 (0.0128625% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8028182815775589 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785095 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407243 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526494 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8027279829144561 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143823 (0.000511108% change) linmin: converged after 5 iterations. iteration 14: trace = 0.802721142098596 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384176 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701811 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596904 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591474 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781742 (1.27419e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027157420448232 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436422 (4.07382e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027156963900606 (1.61372e-06% change) linmin: converged after 21 iterations. iteration 24: trace = 0.8027156897719048 (8.24471e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140719 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301813 (1.97317e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538276 (8.42582e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8027156842766803 (5.94416e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251533 (3.13345e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8027156839051051 (1.49553e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.802715683853704 (6.4034e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8027156838186866 (4.36236e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027156837999561 (2.3334e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8027156837942564 (7.10048e-10% change) linmin: converged after 12 iterations. iteration 35: trace = 0.8027156837904589 (4.73084e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027156837880033 (3.0591e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027156837870201 (1.22486e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 1.0103375911712646 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.81552943763693 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522678332 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935487387 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331387632 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607972 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564982 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115423182 (0.0223593% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8114739977365056 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433781 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799227 (0.0086925% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8112504355243503 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173142 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.811182625400972 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.811159352366833 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100563 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139368 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057771 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456813 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274568 (0.000102883% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8111290114631671 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725699 (3.03516e-05% change) linmin: converged after 12 iterations. iteration 22: trace = 0.8111286057812002 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.811128523442616 (1.01511e-05% change) linmin: converged after 22 iterations. iteration 24: trace = 0.8111284687544931 (6.74223e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8111284433477544 (3.13227e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222031219 (2.60682e-06% change) linmin: converged after 25 iterations. iteration 27: trace = 0.8111284113560471 (1.33728e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028316927 (1.05093e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915548 (4.98089e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.811128396788974 (2.46888e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216868 (1.56238e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8111283948185326 (8.66884e-08% change) linmin: converged after 20 iterations. iteration 33: trace = 0.8111283945321667 (3.53046e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54753e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8111283943165311 (1.11094e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 0.8111283942752683 (5.08708e-09% change) linmin: converged after 11 iterations. iteration 37: trace = 0.8111283942632429 (1.48255e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8111283942557574 (9.22845e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508327 (6.07145e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481882 (3.26034e-10% change) linmin: converged after 14 iterations. iteration 41: trace = 0.8111283942468087 (1.70066e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 1.3203792572021484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269209446 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.827355026462319 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782056244 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101628934576 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222279177 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425231913 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507087041 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802243929 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695642303 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191261524 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287639451 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982961504 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353220518 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211850548 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771352076 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953720222 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570076447 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360017697 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855886204 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002105967 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754427954 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292129 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947454 (0.000353121% change) linmin: converged after 5 iterations. iteration 24: trace = 0.819074813932527 (0.000280372% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8190737905148688 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722773 (9.79085e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8190726416047907 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469594 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325828 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223058891 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361974 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506279 (1.67086e-06% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8190722717209055 (1.00476e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8190722641677792 (9.22156e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175836 (8.85172e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8190722523986513 (5.51714e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 0.8190722470126113 (6.57578e-07% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8190722404773005 (7.97892e-07% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8190722358112574 (5.69674e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.819072232713411 (3.78214e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8190722304560768 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582339 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638572 (1.21403e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8190722275599032 (7.37364e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229287 (2.89321e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693907 (1.87454e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8190722271071549 (7.59833e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 0.8190722270707881 (4.44e-09% change) linmin: converged after 8 iterations. iteration 49: trace = 0.8190722270585117 (1.49882e-09% change) linmin: converged after 9 iterations. iteration 50: trace = 0.8190722270528314 (6.93496e-10% change) linmin: converged after 2 iterations. iteration 51: trace = 0.8190722270495938 (3.9528e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8190722270481847 (1.72036e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 2.8433399200439453 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723246575208 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838459059703 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719752377973 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500822182408 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308842095282 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449349130132 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055812011 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668461114 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147433555 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758596253 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572251591 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869969691 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838527378 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495612961 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.809029904831553 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961709383 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.809014953258021 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585544 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828483 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490818 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733325 (3.89828e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8090112622133538 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213241 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767132 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273191 (1.84786e-06% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8090111376871489 (1.4759e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8090111299481237 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591644 (8.02085e-07% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8090111190077993 (5.50223e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 0.8090111160067404 (3.70954e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8090111140715629 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8090111128405609 (1.52161e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8090111123538611 (6.01598e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8090111120761609 (3.43259e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8090111118275729 (3.07274e-08% change) linmin: converged after 9 iterations. iteration 36: trace = 0.8090111117288277 (1.22057e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8090111116923974 (4.50307e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8090111116668653 (3.15595e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8090111116513792 (1.91421e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8090111116440931 (9.00613e-10% change) linmin: converged after 8 iterations. iteration 41: trace = 0.8090111116401743 (4.84402e-10% change) linmin: converged after 7 iterations. iteration 42: trace = 0.8090111116384466 (2.13547e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8090111116376205 (1.02114e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 1.7739827632904053 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851171028939 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273679645 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308030294 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240617594 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043904985 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308346033 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147946 (0.0192663% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8101854245831668 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830516069 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445535005 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717303 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865759 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483951 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435783 (5.98732e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101016896360241 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582977 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593606 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005625 (2.94516e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 0.8101014766732861 (1.22544e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101014719162731 (5.87212e-07% change) linmin: converged after 9 iterations. iteration 22: trace = 0.8101014694525351 (3.04127e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101014680412499 (1.74211e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8101014671897433 (1.05111e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101014666458746 (6.71359e-08% change) linmin: converged after 21 iterations. iteration 26: trace = 0.8101014663668955 (3.44375e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.810101466265404 (1.25282e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 0.81010146620943 (6.90951e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8101014661850824 (3.0055e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8101014661721246 (1.59952e-09% change) linmin: converged after 10 iterations. iteration 31: trace = 0.8101014661683203 (4.69607e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8101014661663729 (2.40395e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8101014661650514 (1.63128e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 1.5987796783447266 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8384802898745893 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911062945 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232297395 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100239 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8273222532323038 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608251799 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.825746249526539 (0.0654359% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8254198265356778 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616752 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.825060638482868 (0.0156616% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8249885908464127 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823401 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650685 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087209 (0.00138894% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8249097450566564 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163058 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750687 (0.000252458% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724941 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074979 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447533 (2.18405e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8249015845869493 (1.16084e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8249015344706894 (6.07542e-06% change) linmin: converged after 29 iterations. iteration 24: trace = 0.8249015089280828 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902014 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.824901488614488 (7.60783e-07% change) linmin: converged after 20 iterations. iteration 27: trace = 0.8249014853873696 (3.91213e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8249014836509936 (2.10495e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636325 (1.07572e-07% change) linmin: converged after 18 iterations. iteration 30: trace = 0.8249014823775741 (4.68005e-08% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8249014822007897 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.824901482090505 (1.33694e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8249014820217438 (8.33568e-09% change) linmin: converged after 17 iterations. iteration 34: trace = 0.8249014819930198 (3.48212e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693661 (2.86746e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.824901481953956 (1.86812e-09% change) linmin: converged after 29 iterations. iteration 37: trace = 0.8249014819460345 (9.60289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.824901481942062 (4.81571e-10% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8249014819395264 (3.07387e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8249014819380522 (1.78707e-10% change) linmin: converged after 19 iterations. iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 1.5320405960083008 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504591123 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126043947 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944515184 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8335042421908354 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937665399 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220851 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782410276 (0.0557151% change) linmin: converged after 4 iterations. iteration 8: trace = 0.829643818342118 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716858 (0.0169034% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8294292605779853 (0.00896136% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8293938184228483 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030893 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786953 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962766 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035652 (0.000263575% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.829360506372306 (7.26427e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8293602062721993 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222398 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560092 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100364 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795793 (3.76561e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8293598817828403 (1.97704e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8293598714059208 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872627 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133634 (3.34463e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8293598612781703 (1.85106e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.829359860406113 (1.05148e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8293598600266681 (4.57515e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.829359859880868 (1.75798e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8293598598147822 (7.96829e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8293598597813754 (4.02803e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8293598597669891 (1.73462e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 0.8293598597619863 (6.03209e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 0.8293598597589525 (3.658e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8293598597571552 (2.16714e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 0.8293598597560862 (1.28899e-10% change) linmin: converged after 12 iterations. iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 1.4134483337402344 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244383111 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022391054 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479244907 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672427864 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545398473 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568487466 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065786069 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793125117 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396589 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982039 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237533 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855955 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853659 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258959 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047004 (0.000387298% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8320220385837229 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606001 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344799 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623704 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730953 (1.56353e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8320201840423713 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422794 (5.54074e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320200998172955 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733774 (3.10617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921723 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872655 (4.21253e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 6 iterations. iteration 28: trace = 0.8320200583654859 (1.64481e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.832020057676187 (8.28464e-08% change) linmin: converged after 26 iterations. iteration 30: trace = 0.8320200574763273 (2.4021e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161713 (1.92491e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89362e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976759 (4.34827e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200571735464 (2.90011e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.832020057159289 (1.7136e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 0.832020057152568 (8.07788e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484557 (4.94251e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8320200571461506 (2.77055e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8320200571449828 (1.40349e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 1.6265301704406738 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839493 at Vector3<0.5, 0.0, 0.0> to 0.365115253765172 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.3071498340039349 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714739 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 27.56475257873535 done /tmp/meepYM7cP9/test_anisotropic_2d_gap-0: 27.57s /tmp/meepYM7cP9/test_attribute_accessors-0 ======================== /tmp/meepYM7cP9/test_attribute_accessors-0: 0.00s /tmp/meepYM7cP9/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.0008306503295898438 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 27.80144625042668 (180.5% change) linmin: converged after 16 iterations. iteration 2: trace = 19.82418800058347 (33.4999% change) linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 51.7572%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) iteration 7: trace = 18.62909560171773 (0.000350373% change) iteration 8: trace = 18.62908847487772 (3.82565e-05% change) iteration 9: trace = 18.62908778007814 (3.72965e-06% change) iteration 10: trace = 18.62908770043223 (4.27535e-07% change) iteration 11: trace = 18.62908769519267 (2.81257e-08% change) switching back to exact line minimization iteration 12: trace = 18.62908769492712 (1.42543e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 18.62908769486412 (3.38182e-10% change) linmin: converged after 3 iterations. switching to approximate line minimization (decrease time by 70.7635%) iteration 14: trace = 18.6290876949044 (2.16225e-10% change) iteration 15: trace = 18.62908769489695 (4.00105e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.05417323112487793 total elapsed time for run: 0.05536985397338867 done Fixing h-field (band 8) phase by 0.909549 + -0.415597i; max ampl. = 1.96664 .Outputting fields to /tmp/meepYM7cP9/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepYM7cP9/test_bragg-0: 0.43s /tmp/meepYM7cP9/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.09836316108703613 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 17 iterations. iteration 1: trace = 17.30275056402841 (175.314% change) linmin: converged after 9 iterations. iteration 2: trace = 11.97603738636608 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626017051 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486916847 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618325 (0.0540165% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 68.8073%) iteration 6: trace = 11.08249596623342 (0.00433692% change) iteration 7: trace = 11.08219937825523 (0.00267622% change) iteration 8: trace = 11.08039358543769 (0.0162959% change) iteration 9: trace = 11.07371378641714 (0.060303% change) iteration 10: trace = 11.07251001195336 (0.0108711% change) iteration 11: trace = 11.07220213988643 (0.00278055% change) iteration 12: trace = 11.0721370410847 (0.00058795% change) iteration 13: trace = 11.07212327454404 (0.000124335% change) iteration 14: trace = 11.07210625738671 (0.000153694% change) iteration 15: trace = 11.0720067600361 (0.000898635% change) iteration 16: trace = 11.07178884998929 (0.00196814% change) iteration 17: trace = 11.07169482176479 (0.000849263% change) iteration 18: trace = 11.07167953359295 (0.000138083% change) iteration 19: trace = 11.07167804541289 (1.34413e-05% change) iteration 20: trace = 11.07167784706736 (1.79147e-06% change) iteration 21: trace = 11.07167774270743 (9.42585e-07% change) iteration 22: trace = 11.07167747196109 (2.4454e-06% change) iteration 23: trace = 11.0716766361234 (7.54933e-06% change) iteration 24: trace = 11.07167509295639 (1.3938e-05% change) iteration 25: trace = 11.07167457646363 (4.66499e-06% change) iteration 26: trace = 11.07167454089923 (3.2122e-07% change) iteration 27: trace = 11.07167453778178 (2.8157e-08% change) iteration 28: trace = 11.07167453678993 (8.95845e-09% change) iteration 29: trace = 11.0716745359257 (7.8058e-09% change) iteration 30: trace = 11.07167453217439 (3.38821e-08% change) iteration 31: trace = 11.07167452165328 (9.50272e-08% change) iteration 32: trace = 11.07167451525155 (5.78208e-08% change) iteration 33: trace = 11.07167451380846 (1.30341e-08% change) iteration 34: trace = 11.07167451363771 (1.54226e-09% change) iteration 35: trace = 11.07167451362768 (9.06174e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.05685997009277344 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04206453968148 (0.320454% change) linmin: converged after 14 iterations. switching to approximate line minimization (decrease time by 63.1169%) iteration 2: trace = 11.02780183941199 (0.12925% change) switching back to exact line minimization iteration 3: trace = 11.02771300085358 (0.00080559% change) large trace change predicted (0.0517298%) linmin: converged after 15 iterations. switching to approximate line minimization (decrease time by 65.1613%) iteration 4: trace = 11.01807571324773 (0.0874297% change) iteration 5: trace = 11.01757273186041 (0.00456516% change) iteration 6: trace = 11.01365428178883 (0.0355718% change) iteration 7: trace = 11.0112335301989 (0.021982% change) iteration 8: trace = 11.00913660704941 (0.0190453% change) iteration 9: trace = 11.00802932323721 (0.0100584% change) iteration 10: trace = 11.0075091209745 (0.00472577% change) iteration 11: trace = 11.00723564583363 (0.00248447% change) iteration 12: trace = 11.00705433536674 (0.00164721% change) iteration 13: trace = 11.00691869950401 (0.00123227% change) iteration 14: trace = 11.00681095561962 (0.000978879% change) iteration 15: trace = 11.00672184845883 (0.000809567% change) iteration 16: trace = 11.00664570829443 (0.000691763% change) iteration 17: trace = 11.00657875705912 (0.000608282% change) iteration 18: trace = 11.00651831417391 (0.000549154% change) iteration 19: trace = 11.00646236272277 (0.00050835% change) iteration 20: trace = 11.00640929199204 (0.000482179% change) iteration 21: trace = 11.00635773446358 (0.000468433% change) iteration 22: trace = 11.00630645687549 (0.000465892% change) iteration 23: trace = 11.00625428495951 (0.00047402% change) iteration 24: trace = 11.00620004876259 (0.000492777% change) iteration 25: trace = 11.00614254509975 (0.000522467% change) iteration 26: trace = 11.00608051440121 (0.000563602% change) iteration 27: trace = 11.00601263372094 (0.000616758% change) iteration 28: trace = 11.00593752756422 (0.000682413% change) iteration 29: trace = 11.00585379775965 (0.000760772% change) iteration 30: trace = 11.00576007119822 (0.00085161% change) iteration 31: trace = 11.00565506182207 (0.000954136% change) iteration 32: trace = 11.00553764054838 (0.00106692% change) iteration 33: trace = 11.00540690922061 (0.00118788% change) iteration 34: trace = 11.00526227762733 (0.0013142% change) iteration 35: trace = 11.00510354714411 (0.00144232% change) iteration 36: trace = 11.00493100390553 (0.00156786% change) switching back to exact line minimization iteration 37: trace = 11.00474551673852 (0.00168551% change) linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 54.0193%) iteration 38: trace = 11.00454771546015 (0.00179743% change) iteration 39: trace = 11.00436920158432 (0.0016222% change) iteration 40: trace = 11.00415890821709 (0.00191102% change) iteration 41: trace = 11.00394413962241 (0.00195172% change) iteration 42: trace = 11.00372859615298 (0.0019588% change) iteration 43: trace = 11.00351619270492 (0.0019303% change) iteration 44: trace = 11.00330946978709 (0.00187872% change) iteration 45: trace = 11.0031101545423 (0.00181143% change) iteration 46: trace = 11.00291920465243 (0.00173543% change) iteration 47: trace = 11.00273697152258 (0.00165624% change) switching back to exact line minimization iteration 48: trace = 11.00256338972418 (0.00157764% change) linmin: converged after 7 iterations. iteration 49: trace = 11.00239769309936 (0.00150599% change) linmin: converged after 5 iterations. iteration 50: trace = 11.00225666697838 (0.00128178% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00212161598597 (0.00122749% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00199233563315 (0.00117506% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00186858403133 (0.00112482% change) linmin: converged after 6 iterations. iteration 54: trace = 11.001750187424 (0.00107616% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00163697354434 (0.00102906% change) linmin: converged after 7 iterations. iteration 56: trace = 11.00152880557026 (0.000983204% change) linmin: converged after 7 iterations. switching to approximate line minimization (decrease time by 51.0504%) iteration 57: trace = 11.00142556614113 (0.000938414% change) iteration 58: trace = 11.00132728007372 (0.000893398% change) iteration 59: trace = 11.00122658638077 (0.000915291% change) iteration 60: trace = 11.00113094819547 (0.000869345% change) iteration 61: trace = 11.00104042131535 (0.00082289% change) iteration 62: trace = 11.00095493027376 (0.000777121% change) iteration 63: trace = 11.00087426718924 (0.00073324% change) iteration 64: trace = 11.00079819924363 (0.000691474% change) iteration 65: trace = 11.00072647616621 (0.000651983% change) iteration 66: trace = 11.00065883838247 (0.00061485% change) iteration 67: trace = 11.0005950174115 (0.000580158% change) iteration 68: trace = 11.00053474361738 (0.000547915% change) iteration 69: trace = 11.00047774822372 (0.000518116% change) resetting CG direction... switching back to exact line minimization large trace change predicted (2.26289%) linmin: converged after 71 iterations. iteration 70: trace = 11.00047774840803 (1.67553e-09% change) large trace change predicted (0.0690639%) linmin: converged after 7 iterations. iteration 71: trace = 10.9928533256438 (0.069334% change) linmin: converged after 7 iterations. iteration 72: trace = 10.9916041335376 (0.0113643% change) linmin: converged after 7 iterations. iteration 73: trace = 10.99054334778603 (0.00965134% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98869455971425 (0.016823% change) linmin: converged after 7 iterations. iteration 75: trace = 10.98811603348879 (0.00526488% change) linmin: converged after 9 iterations. iteration 76: trace = 10.98804672365349 (0.000630773% change) linmin: converged after 5 iterations. iteration 77: trace = 10.98803155225896 (0.000138072% change) linmin: converged after 8 iterations. iteration 78: trace = 10.98802753580862 (3.6553e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 10.98802383074246 (3.37191e-05% change) linmin: converged after 6 iterations. iteration 80: trace = 10.98801739527572 (5.8568e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801478407598 (2.37641e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 10.98801425714043 (4.79555e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 10.98801415897268 (8.93408e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 10.98801414139509 (1.59971e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 10.98801413048567 (9.92848e-08% change) large trace change predicted (2.06207e-07%) linmin: converged after 4 iterations. iteration 86: trace = 10.98801410787532 (2.05773e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 10.98801409708326 (9.82167e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 10.98801409375671 (3.02743e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 10.98801409324814 (4.62842e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 10.98801409306602 (1.65737e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 10.98801409307204 (5.47715e-11% change) Finished solving for bands 1 to 8 after 91 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.20479202270507812 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. switching to approximate line minimization (decrease time by 63.1707%) iteration 1: trace = 10.90376010092897 (0.00793312% change) iteration 2: trace = 10.90359839014423 (0.00148308% change) iteration 3: trace = 10.90350976061277 (0.00081285% change) iteration 4: trace = 10.90345236894227 (0.000526361% change) iteration 5: trace = 10.90344657542449 (5.31347e-05% change) iteration 6: trace = 10.90344609592351 (4.3977e-06% change) iteration 7: trace = 10.90344605641847 (3.62317e-07% change) iteration 8: trace = 10.90344605253121 (3.56517e-08% change) iteration 9: trace = 10.90344604856776 (3.63504e-08% change) iteration 10: trace = 10.90344604736138 (1.10642e-08% change) iteration 11: trace = 10.90344604730769 (4.92466e-10% change) iteration 12: trace = 10.90344604730487 (2.58386e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.033095598220825195 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 64.5833%) iteration 1: trace = 10.82874319845828 (0.00713667% change) iteration 2: trace = 10.82865181757506 (0.000843877% change) iteration 3: trace = 10.82863915209735 (0.000116963% change) iteration 4: trace = 10.82863201847331 (6.58774e-05% change) iteration 5: trace = 10.82863047565258 (1.42476e-05% change) iteration 6: trace = 10.82863033669786 (1.28322e-06% change) iteration 7: trace = 10.82863032444757 (1.13129e-07% change) iteration 8: trace = 10.82863032387197 (5.31552e-09% change) iteration 9: trace = 10.82863032380566 (6.12387e-10% change) iteration 10: trace = 10.82863032375878 (4.32876e-10% change) iteration 11: trace = 10.82863032375313 (5.21984e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.03289532661437988 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414136122 (0.00702671% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283233743 (0.000755394% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658320918 (5.80572e-05% change) linmin: converged after 4 iterations. iteration 4: trace = 10.76374528581612 (1.20534e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 10.76374486740383 (3.88724e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182855 (4.23415e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26965e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.61272e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.003470897674560547 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.7089091897821 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425238 (0.000730287% change) linmin: converged after 6 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389909 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792912 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07343e-09% change) linmin: converged after 2 iterations. switching to approximate line minimization (decrease time by 52.6144%) iteration 9: trace = 10.70882562781128 (2.70215e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.007431507110595703 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10242e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713198 (4.78742e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40091e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.007302284240722656 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.62893239530691 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72512e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.25047e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05289e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.71841e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0031709671020507812 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85041e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.46763e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0030066967010498047 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 56.3025%) iteration 2: trace = 10.58897895638372 (0.000714253% change) iteration 3: trace = 10.58897488550218 (3.84445e-05% change) iteration 4: trace = 10.5889747873755 (9.26687e-07% change) iteration 5: trace = 10.58897478401992 (3.16894e-08% change) iteration 6: trace = 10.58897478378886 (2.18209e-09% change) iteration 7: trace = 10.58897478377235 (1.55945e-10% change) iteration 8: trace = 10.58897478377203 (2.96927e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.01150965690612793 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889665 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985964 (0.000713897% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 54.6584%) iteration 3: trace = 10.58398056403726 (3.83204e-05% change) iteration 4: trace = 10.58398046806651 (9.06755e-07% change) iteration 5: trace = 10.58398046509703 (2.80563e-08% change) switching back to exact line minimization iteration 6: trace = 10.58398046493152 (1.56376e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491725 (1.34905e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.52729e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.002481222152709961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.3064030262308443 at Vector3<0.5, 0.0, 0.0> to 0.46877485258665363 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501315076 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093807 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436902 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.024054864814716 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025869 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967027 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994651107 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910497 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483638 at Vector3<0.5, 0.0, 0.0> to 1.999907200712497 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.3064030262308443), 44.54642128428609% Gap from band 2 (0.46877485258665363) to band 3 (0.5466257501315076), 15.334026262433209% Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093807), 6.941187444158372% Gap from band 4 (0.9893486155436902) to band 5 (1.024054864814716), 3.4475205401798323% Gap from band 5 (1.2440980042025869) to band 6 (1.266656686185507), 1.7969642410133873% Gap from band 6 (1.4970379696967027) to band 7 (1.5115800994651107), 0.966698293642798% Gap from band 7 (1.7488359039910497) to band 8 (1.7581683208483638), 0.532215889060781% total elapsed time for run: 0.4706714153289795 done /tmp/meepYM7cP9/test_bragg_sine-0: 0.49s /tmp/meepYM7cP9/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.01233816146850586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.129030466079712 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 9.646563291549683 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 1.3842582702636719 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.2986199855804443 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.7573120594024658 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.3032517433166504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 2.3107168674468994 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.9834604263305664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.425734281539917 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 1.3707375526428223 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 1.205918312072754 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.021543025970459 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 1.1438398361206055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.3204009532928467 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.2770380973815918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.02024245262146 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 31.643897771835327 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepYM7cP9/test_compute_field_energy-0: 31.67s /tmp/meepYM7cP9/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012429952621459961 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8549776077270508 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 4.438878536224365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.8408718109130859 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.061457633972168 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.249284029006958 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.933985948562622 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.2681751251220703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.0688607692718506 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.7947580814361572 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5552585124969482 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.8350625038146973 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.754626989364624 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.7731056213378906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.0200238227844238 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.5877995491027832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 2.223787546157837 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 20.276565074920654 done /tmp/meepYM7cP9/test_compute_group_velocity-0: 20.29s /tmp/meepYM7cP9/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.01835799217224121 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.2873408794403076 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 5.779906272888184 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.737501859664917 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.760944128036499 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.7617201805114746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.865443229675293 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.4545629024505615 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.077078104019165 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.1351864337921143 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.6590268611907959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.6096739768981934 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.7453856468200684 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.953669548034668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.1814427375793457 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.2957422733306885 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.5931460857391357 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 21.935835123062134 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepYM7cP9/test_compute_integrals-0: 21.97s /tmp/meepYM7cP9/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.2795538902282715 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 7.793809388876705 (194.671% change) linmin: converged after 9 iterations. iteration 2: trace = 1.602644292878243 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863323821914 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732460474549 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867573 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224121 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980189 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773774 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.077841961858109 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120797 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396719 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570876 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595674 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516336 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104172 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198569 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055658 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.07491389724555 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130553 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440155 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476407 (4.21396e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283007 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 8 iterations. iteration 26: trace = 1.074908146483127 (0.000205022% change) large trace change predicted (0.000513655%) linmin: converged after 7 iterations. iteration 27: trace = 1.074902628231891 (0.000513371% change) linmin: converged after 6 iterations. iteration 28: trace = 1.07489427477573 (0.000777139% change) linmin: converged after 10 iterations. iteration 29: trace = 1.074885559294586 (0.000810825% change) linmin: converged after 7 iterations. iteration 30: trace = 1.07487875130051 (0.000633371% change) linmin: converged after 8 iterations. iteration 31: trace = 1.074871979315249 (0.000630025% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074864290605019 (0.000715317% change) linmin: converged after 6 iterations. iteration 33: trace = 1.074857335708988 (0.000647051% change) linmin: converged after 5 iterations. iteration 34: trace = 1.07485261192785 (0.000439481% change) linmin: converged after 5 iterations. iteration 35: trace = 1.074850531096997 (0.000193592% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707709224 (7.66049e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321521 (2.85052e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849273653973 (1.18777e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.074849202665489 (6.60451e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.074849166432306 (3.371e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 1.074849150238602 (1.5066e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849143714862 (6.06945e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.074849140933157 (2.588e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.074849139366229 (1.45781e-07% change) linmin: converged after 17 iterations. iteration 45: trace = 1.074849138484937 (8.19921e-08% change) linmin: converged after 17 iterations. iteration 46: trace = 1.074849138034038 (4.195e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805368 (2.12746e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074849137683473 (1.13407e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 1.074849137606193 (7.18978e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.074849137561191 (4.18686e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.074849137540538 (1.92152e-09% change) linmin: converged after 6 iterations. iteration 52: trace = 1.074849137533198 (6.82837e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.074849137531017 (2.02905e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 6.732161521911621 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858894969229 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649196263 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07251725089513 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267318321722 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684351104 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614527449 (0.00131225% change) linmin: converged after 6 iterations. iteration 7: trace = 1.072176813419732 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174588798702 (0.000207487% change) linmin: converged after 6 iterations. iteration 9: trace = 1.072173275804353 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792706117 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507113538 (2.66368e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.072172093433364 (3.85834e-05% change) linmin: converged after 15 iterations. iteration 13: trace = 1.072171277788257 (7.60741e-05% change) large trace change predicted (0.000180552%) linmin: converged after 3 iterations. iteration 14: trace = 1.072169342012669 (0.000180547% change) linmin: converged after 6 iterations. iteration 15: trace = 1.072167408073178 (0.000180376% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07216645616984 (8.87831e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970163146 (4.53294e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682211661 (2.6857e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408273896 (2.555e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072165207651939 (1.87118e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.072165103677908 (9.69758e-06% change) linmin: converged after 8 iterations. iteration 22: trace = 1.072165061729308 (3.91251e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577667 (1.0401e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945176 (2.4553e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308083 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160097 (1.38025e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103966 (5.23532e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.072165047075589 (2.64667e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072165047058599 (1.58468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048056 (9.83369e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.072165047042509 (5.17293e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.072165047039761 (2.56327e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072165047038644 (1.04233e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 4.9543046951293945 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440465997937 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807425879 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667496332 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06558596722854 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753691639 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120722214 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506870622606 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504384684949 (0.000233311% change) linmin: converged after 22 iterations. iteration 9: trace = 1.065503073447468 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572100317 (4.70526e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065502157705918 (3.88919e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.065501551233871 (5.69189e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878587815 (6.31295e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065500247902232 (5.91915e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909232228 (3.17851e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690824919 (2.04981e-05% change) linmin: converged after 16 iterations. iteration 17: trace = 1.065499506928144 (1.72592e-05% change) linmin: converged after 27 iterations. iteration 18: trace = 1.065499383728825 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698607 (6.38482e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220954 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548668 (5.32359e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.06549928702242 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677923 (3.2332e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73406e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.065499286570306 (2.36607e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00357e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551558 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546964 (4.31232e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.065499286545303 (1.55817e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 3.800631046295166 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504517075 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549181389 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.05750209007881 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559167011 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691612308 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876222962 (0.00130666% change) linmin: converged after 6 iterations. iteration 7: trace = 1.057292723706862 (0.000771072% change) linmin: converged after 5 iterations. iteration 8: trace = 1.057291059116352 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409956604 (6.13984e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221449912 (1.78292e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 1.057290112032823 (1.03488e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057289958938371 (1.44799e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05728978927021 (1.60475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908519 (1.27081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.05728960466556 (4.75205e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705058 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702317 (4.73167e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780873 (1.81733e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678029 (1.04309e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066725 (5.7818e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21278e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749872 (7.84065e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 1.057289581718886 (2.93067e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697567 (2.01636e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676835 (1.96087e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662599 (1.34648e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.53573e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289581655315 (1.35332e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 2.527355432510376 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648812437 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285820777 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.0493148991074 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172109 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038102 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260245 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311484 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387941 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127791569493 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.04912767663003 (1.09557e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.049127634485087 (4.01714e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.049127595483644 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.04912755411629 (3.94302e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.049127517065821 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744463 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460314 (3.13036e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551344 (8.66406e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 1.049127498234714 (3.01803e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.049127497940212 (2.80711e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468461 (4.4966e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017248 (4.30084e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798791 (2.08227e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.049127496735695 (6.01412e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.049127496715389 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707378 (7.63516e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 1.04912749670408 (3.1438e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.049127496702448 (1.55582e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 2.974879026412964 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345921672305 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342829177 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013898 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041500108180174 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801538 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04145683290917 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.041452129686212 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409511 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275424 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335743 (1.00763e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.041450551023692 (3.1026e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 1.041450527028449 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527927 (3.1207e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.041450435394978 (5.67794e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 1.041450384495814 (4.88733e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324394 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415189 (3.35198e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.041450255970141 (5.99597e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.041450142733955 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666066 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793363 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149661 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239027 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517449 (6.9286e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090018 (4.10418e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597004 (4.73393e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726589 (8.35772e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065749 (1.59474e-07% change) large trace change predicted (4.18902e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703093 (4.18902e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041450002242117 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 25 iterations. iteration 31: trace = 1.041449968104932 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 9 iterations. iteration 32: trace = 1.041449888871911 (7.60795e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 1.041449762143144 (1.21685e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.041449617732965 (1.38663e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 1.041449518800035 (9.49954e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 1.041449483215057 (3.41687e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 1.041449473025059 (9.78444e-07% change) linmin: converged after 11 iterations. iteration 38: trace = 1.041449470385691 (2.53432e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.041449469588858 (7.65119e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 1.041449469287297 (2.89559e-08% change) linmin: converged after 21 iterations. iteration 41: trace = 1.041449469189137 (9.42536e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 1.041449469160068 (2.79125e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449469152533 (7.23476e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.04144946915032 (2.12482e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 3.3295464515686035 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665397852365 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261690379781 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058206448938 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314488134805 (0.658768% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895432957606 (0.335661% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850695556537 (0.299864% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826540744309 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456631616534 (0.0365291% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302654802857 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263471429735 (0.00387079% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248752514102 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243324581168 (0.000536227% change) linmin: converged after 4 iterations. iteration 13: trace = 1.012239244019039 (0.000403121% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234290090542 (0.000489404% change) linmin: converged after 6 iterations. iteration 15: trace = 1.012226177553938 (0.000801452% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339976737 (0.00136705% change) linmin: converged after 5 iterations. iteration 17: trace = 1.012198494873001 (0.00136782% change) linmin: converged after 14 iterations. iteration 18: trace = 1.01218820498116 (0.00101659% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979191693 (0.000516288% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431890691 (0.000251664% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179050262794 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436829549 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.01217813830648 (2.94931e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609133 (1.28137e-05% change) linmin: converged after 13 iterations. iteration 25: trace = 1.012177948013639 (5.98664e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.012177914414861 (3.31945e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01217789939853 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703018 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011659 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482535 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943437 (5.32612e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797324 (1.44356e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757117 (3.97228e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.01217788574262 (1.43227e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 1.012177885736502 (6.04461e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.012177885733487 (2.97887e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731925 (1.54263e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.012177885730708 (1.2026e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.012177885728812 (1.87345e-10% change) large trace change predicted (3.79636e-10%) linmin: converged after 5 iterations. iteration 40: trace = 1.012177885724976 (3.78967e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719433 (5.47599e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.012177885715903 (3.48803e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 1.012177885714417 (1.46826e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 2.1923775672912598 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055187095 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.986660751679959 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345723789 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004081825 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.985572286100927 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500249424 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508570572 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633528354 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516310522371 (4.38638e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 0.9855514450623342 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230134106 (1.23838e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9855511986809358 (1.26155e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9855510508801276 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 5 iterations. iteration 14: trace = 0.9855506934426012 (3.62678e-05% change) large trace change predicted (0.000117861%) linmin: converged after 5 iterations. iteration 15: trace = 0.9855495321103869 (0.000117836% change) large trace change predicted (0.00166435%) linmin: converged after 6 iterations. iteration 16: trace = 0.9855348565365381 (0.00148909% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855133241467 (0.00500687% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692406895214 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542304755862 (0.00152317% change) linmin: converged after 8 iterations. iteration 20: trace = 0.9854392652397095 (0.00151862% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239723783296 (0.00155189% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9854083684239272 (0.00158349% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925738606739 (0.00160286% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765724013024 (0.00162388% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601687710491 (0.00166472% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431486244694 (0.00172732% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9853255014309963 (0.00179099% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075618095639 (0.0018207% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899478011016 (0.00178768% change) linmin: converged after 9 iterations. iteration 30: trace = 0.9852733012228144 (0.00168952% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580327820775 (0.00154968% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442535801191 (0.00139855% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318618943778 (0.00125774% change) linmin: converged after 6 iterations. iteration 34: trace = 0.9852206614348566 (0.00113684% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104433963962 (0.00103714% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010266450926 (0.000955816% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922707824456 (0.000888743% change) linmin: converged after 4 iterations. iteration 38: trace = 0.9851840753707002 (0.000831863% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763731873757 (0.000781804% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691215599174 (0.000736077% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622938373381 (0.000693053% change) linmin: converged after 4 iterations. iteration 42: trace = 0.985155872077998 (0.00065185% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498414783594 (0.000612149% change) linmin: converged after 7 iterations. iteration 44: trace = 0.9851441866707311 (0.000574006% change) linmin: converged after 5 iterations. iteration 45: trace = 0.985138889774108 (0.000537679% change) linmin: converged after 5 iterations. iteration 46: trace = 0.985133929523912 (0.000503509% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292818557378 (0.000471781% change) linmin: converged after 7 iterations. iteration 48: trace = 0.9851249205027524 (0.00044272% change) linmin: converged after 6 iterations. iteration 49: trace = 0.9851208179683515 (0.000416449% change) linmin: converged after 5 iterations. iteration 50: trace = 0.9851169466019023 (0.000392985% change) linmin: converged after 5 iterations. iteration 51: trace = 0.9851132794205391 (0.000372259% change) linmin: converged after 6 iterations. iteration 52: trace = 0.985109790832833 (0.000354131% change) linmin: converged after 7 iterations. iteration 53: trace = 0.98510645710795 (0.000338412% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032567005502 (0.00032488% change) linmin: converged after 8 iterations. iteration 55: trace = 0.9851001704698975 (0.000313291% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971817835199 (0.00030339% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942764892118 (0.000294925% change) linmin: converged after 6 iterations. iteration 58: trace = 0.985091442876421 (0.000287649% change) linmin: converged after 7 iterations. iteration 59: trace = 0.9850886715782785 (0.000281324% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859553938563 (0.00027573% change) linmin: converged after 6 iterations. iteration 61: trace = 0.9850832891120949 (0.000270665% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806692965066 (0.000265949% change) linmin: converged after 3 iterations. iteration 63: trace = 0.9850780940264909 (0.000261428% change) linmin: converged after 9 iterations. iteration 64: trace = 0.9850755626342055 (0.000256974% change) linmin: converged after 5 iterations. iteration 65: trace = 0.9850730754278573 (0.000252489% change) linmin: converged after 5 iterations. iteration 66: trace = 0.9850706334157524 (0.000247902% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682380418601 (0.000243168% change) linmin: converged after 6 iterations. iteration 68: trace = 0.9850658909459264 (0.000238268% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850635937430814 (0.000233203% change) resetting CG direction... large trace change predicted (0.0412899%) linmin: converged after 4 iterations. iteration 70: trace = 0.984656320909412 (0.0413534% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601746300234 (0.0199223% change) linmin: converged after 6 iterations. iteration 72: trace = 0.9843700916746623 (0.00915091% change) linmin: converged after 4 iterations. iteration 73: trace = 0.9843454551516437 (0.0025028% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741606924 (0.00147114% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269359841216 (0.000410247% change) linmin: converged after 3 iterations. iteration 76: trace = 0.9843259254957233 (0.000102658% change) linmin: converged after 3 iterations. iteration 77: trace = 0.984325260278889 (6.7581e-05% change) linmin: converged after 16 iterations. iteration 78: trace = 0.9843249585574556 (3.06526e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 0.9843248270013296 (1.33651e-05% change) linmin: converged after 2 iterations. iteration 80: trace = 0.9843247642150001 (6.37862e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334132978 (3.12922e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239626907 (9.60111e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 0.9843247200126927 (4.0129e-07% change) linmin: converged after 5 iterations. iteration 84: trace = 0.9843247177619137 (2.28662e-07% change) linmin: converged after 13 iterations. iteration 85: trace = 0.9843247140405498 (3.78063e-07% change) large trace change predicted (8.17085e-07%) linmin: converged after 3 iterations. iteration 86: trace = 0.9843247059977581 (8.17087e-07% change) large trace change predicted (1.83763e-06%) linmin: converged after 3 iterations. iteration 87: trace = 0.9843246879096608 (1.83761e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 0.9843246566924536 (3.17143e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 0.9843246205594831 (3.67084e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064914508 (1.42921e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 0.9843246017419645 (4.82512e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 0.9843246002812466 (1.48398e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240308 (3.62904e-08% change) linmin: converged after 2 iterations. iteration 94: trace = 0.9843245998040704 (1.21871e-08% change) linmin: converged after 5 iterations. iteration 95: trace = 0.9843245997561378 (4.86959e-09% change) linmin: converged after 6 iterations. iteration 96: trace = 0.9843245997431125 (1.32328e-09% change) linmin: converged after 3 iterations. iteration 97: trace = 0.984324599740466 (2.68858e-10% change) linmin: converged after 2 iterations. iteration 98: trace = 0.9843245997396692 (8.09496e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 15.80350637435913 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769162886698 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655434911 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.958516571280313 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893126026 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534782664552 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743066758 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087074998 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698780972583 (0.000911647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.957662913242139 (0.000727274% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9576596029390384 (0.000345665% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418226341 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119836578 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729700537 (4.58425e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 0.957656162942213 (2.19314e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823091441 (8.41984e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.957656002308769 (8.35377e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 0.9576558845376733 (1.22979e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.9576557606444888 (1.29371e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.957655689870502 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427234 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473596 (6.78257e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556586034578 (1.82101e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296438 (3.90343e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581383974 (9.52811e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169067 (2.24409e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121116 (5.00707e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9576556581107267 (1.44613e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 0.9576556581103903 (3.51272e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 1.2785236835479736 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872233943 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597604793 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739511361 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083778428 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896466663 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673700729 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197641757 (0.001652% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9411228844443945 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177224094729 (0.000548499% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9411142194220592 (0.000372216% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9411125302487315 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700161734 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151349418 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125578108 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457022 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731924944 (1.15323e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 0.9411112675855424 (5.9578e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112644312221 (3.3517e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729449 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571752 (2.1419e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302788 (1.51618e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.941111257989665 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179182 (1.82494e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.9411112577748086 (4.5807e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644269 (1.10313e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9411112577622895 (2.27115e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9411112577617218 (6.03295e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 2.3029918670654297 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335017 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968815 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397474 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243475 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145767 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214827 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9357260906567758 (0.00022612% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9357251462394733 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926672 (6.7418e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9357241186857073 (4.23957e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 0.9357237683382228 (3.74413e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9357236170895995 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974199 (7.21283e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444201 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256265997 (5.68311e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195184 (2.14495e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374905 (7.28878e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208447 (2.31528e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594689 (6.55918e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9357235226426152 (1.80115e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371334 (5.85828e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350291 (2.24887e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9357235226340188 (1.0797e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9357235226332389 (8.33507e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 4.6752026081085205 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9531656172624499 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298157 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933158 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170211 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123515988 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329512955 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910544 (0.000414304% change) linmin: converged after 37 iterations. iteration 8: trace = 0.9457908288630485 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833984333 (3.65265e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9457903738934199 (1.15781e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.945790328795686 (4.76826e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9457903098667285 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332738 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373115 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.945790288982615 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358905 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788883 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821124 (1.02323e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902837614034 (2.1896e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 0.945790283757144 (4.5035e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9457902837561423 (1.05917e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 0.9457902837559192 (2.35828e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 3.7558910846710205 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564807534 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261611588 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908342476455 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141780657 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239667533 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036219 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978204 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452794952 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173619801 (0.000146413% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9752657982803837 (3.27174e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9752656737712277 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.9752655986569779 (7.70193e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9752655199382627 (8.07152e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9752654586051022 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667195 (2.28024e-06% change) linmin: converged after 12 iterations. iteration 16: trace = 0.9752654288851387 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617316 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193401 (4.53611e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923921 (1.30168e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.975265426457352 (3.59288e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 0.975265426446871 (1.07469e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9752654264434989 (3.4576e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9752654264424229 (1.10332e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 0.9752654264419838 (4.50229e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 4.11699104309082 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525055 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395900786 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104007 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336762 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.01871807777816 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746532 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208275 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.01812238158558 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.01810814150193 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.018104688377168 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639177 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304866 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799626 (1.31131e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.018103254441728 (8.18757e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 1.018103204661021 (4.88955e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 1.018103175566668 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363211 (1.39509e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.018103152357125 (8.84595e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246921 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530307 (2.66831e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.018103143433505 (1.0773e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.018103143020115 (4.0604e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.01810314286882 (1.48605e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 1.018103142826692 (4.13788e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813699 (1.27623e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.018103142809129 (4.48821e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.018103142807085 (2.00845e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.018103142806048 (1.01851e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.018103142805605 (4.34884e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 3.7140157222747803 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748032 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914341 (1.00938% change) linmin: converged after 6 iterations. iteration 3: trace = 1.05982426496183 (0.605598% change) linmin: converged after 6 iterations. iteration 4: trace = 1.056454446691284 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208745 (0.12664% change) linmin: converged after 5 iterations. iteration 6: trace = 1.053973327355114 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526154095 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381323702 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219819068 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769632646 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103822104 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222792956 (0.000843361% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053042139517095 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.05303794112489 (0.000398693% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343144199 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079936007 (0.000119959% change) linmin: converged after 6 iterations. iteration 17: trace = 1.053033595937297 (4.59623e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.053033362151883 (2.22011e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 1.053033220626464 (1.34398e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053033136182073 (8.01916e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092857904 (4.11423e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069956103 (2.17484e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053033056567706 (1.27141e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 1.053033050087025 (6.1543e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 1.053033046930003 (2.99803e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 1.053033045492662 (1.36495e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.05303304471339 (7.40026e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053033044195642 (4.91673e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811545 (3.64754e-08% change) linmin: converged after 18 iterations. iteration 30: trace = 1.053033043579941 (2.1994e-08% change) linmin: converged after 17 iterations. iteration 31: trace = 1.05303304346969 (1.04698e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429304 (3.83516e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.053033043415642 (1.29743e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.053033043410175 (5.19142e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407271 (2.75744e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.053033043404647 (2.49218e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.053033043402362 (2.17019e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.053033043401237 (1.06823e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 1.053033043400841 (3.75756e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 4.1212897300720215 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509203134 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374689317 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840608125 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07091642240455 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177231412 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467735 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105872 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288341139 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768367 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340382 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630062 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322818 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598674 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751934186257 (6.12325e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064751716375276 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473007 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763357 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444111 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065905 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775833 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427303 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29663e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656117 (3.92568e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064751580642666 (1.26326e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 1.06475158063819 (4.20419e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.064751580636454 (1.63038e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.06475158063571 (6.98405e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 2.283107042312622 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 5 iterations. iteration 2: trace = 1.067759464050549 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847529 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692894 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102698 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517806 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128711 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.05394564271052 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348827 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373105 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053901410289624 (8.61871e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053901190385521 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722908 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329604 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.05390101638759 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.05390100229774 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619986 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524416 (5.681e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053900986366487 (1.49852e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053900986325057 (3.93111e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310452 (1.38576e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303702 (6.4045e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300588 (2.95469e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.053900986298909 (1.59365e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 1.053900986298104 (7.63534e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 3.7164008617401123 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 5 iterations. iteration 2: trace = 1.055450127301308 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005145 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423636178 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910739 (0.0067956% change) linmin: converged after 6 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 3 iterations. iteration 8: trace = 1.050735518700163 (0.00388965% change) linmin: converged after 4 iterations. iteration 9: trace = 1.050712406629326 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182168 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.050700527947597 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774884 (9.47152e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.050699177150715 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583426 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853782 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022336 (2.0778e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 1.050698989966912 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063517 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444911 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362368 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757338 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164582 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.05069895459442 (5.4265e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368865 (2.14672e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52175e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.0506989540695 (1.32744e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980486 (8.47188e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 1.050698953945816 (3.29971e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935616 (9.70788e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 1.050698953931686 (3.74055e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.050698953929973 (1.6302e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.050698953929234 (7.03096e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 6.859142303466797 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873555 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.074888810319138 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358774 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664561 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074133138557719 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054055 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 5 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483325 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 3 iterations. iteration 17: trace = 1.074006542454387 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.07394170104624 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 9 iterations. iteration 19: trace = 1.073871054646401 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865047133 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051814073 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930253258 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951854511 (0.0019537% change) linmin: converged after 5 iterations. iteration 24: trace = 1.073746099951677 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549677794 (0.00182077% change) linmin: converged after 6 iterations. iteration 26: trace = 1.073706652691414 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048053079 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.07366480750308 (0.0019783% change) linmin: converged after 4 iterations. iteration 29: trace = 1.073643487581963 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933034567 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845331304 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422580545 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.07357033760148 (0.00149826% change) linmin: converged after 4 iterations. iteration 34: trace = 1.0735549642185 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629114168 (0.00142845% change) linmin: converged after 6 iterations. iteration 36: trace = 1.073523800559739 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.073507219134764 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489949996989 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300712646 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.07345460810302 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013911646 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.07341936402553 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253273459 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150275805 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.0733615442773 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086872033 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699872937 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605871434 (0.00243119% change) linmin: converged after 5 iterations. iteration 49: trace = 1.073261255734322 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183632931 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865371742 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643586995 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.07314873077758 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259226807 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094338585364 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.073068095041238 (0.00244563% change) linmin: converged after 4 iterations. iteration 57: trace = 1.073042682948385 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018272551503 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024616579 (0.00216662% change) linmin: converged after 5 iterations. iteration 60: trace = 1.072973064496317 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465224757 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243663793 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368241642 (0.00166605% change) linmin: converged after 6 iterations. iteration 64: trace = 1.072898773490337 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.07288337591944 (0.00143515% change) linmin: converged after 5 iterations. iteration 66: trace = 1.072869086998702 (0.00133183% change) linmin: converged after 5 iterations. iteration 67: trace = 1.072855821021881 (0.0012365% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843497553276 (0.00114867% change) linmin: converged after 3 iterations. iteration 69: trace = 1.072832039610928 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123251259 (0.0591056% change) linmin: converged after 15 iterations. iteration 71: trace = 1.07134711810174 (0.0794017% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541462572527 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830362633 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879029691 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565043349 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041212672 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034014 (0.00096077% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886834663 (0.000175603% change) linmin: converged after 6 iterations. iteration 79: trace = 1.069568934567785 (8.90327e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.069568397381151 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984274982 (3.86236e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172004 (1.87088e-05% change) linmin: converged after 5 iterations. iteration 83: trace = 1.069567559606812 (2.09959e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 1.069567395325959 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689911 (1.08115e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567202427513 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735025 (7.35741e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 1.069566990371064 (1.2469e-05% change) linmin: converged after 6 iterations. iteration 89: trace = 1.069566806433226 (1.71974e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 1.069566611503603 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.06956625836616 (3.30169e-05% change) linmin: converged after 7 iterations. iteration 92: trace = 1.069565649806643 (5.68978e-05% change) large trace change predicted (0.000165075%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887330695 (0.000164784% change) large trace change predicted (0.000584339%) linmin: converged after 5 iterations. iteration 94: trace = 1.069557815156878 (0.000567726% change) large trace change predicted (0.0061294%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531839644754 (0.00242865% change) linmin: converged after 9 iterations. iteration 96: trace = 1.069511580257867 (0.00189425% change) linmin: converged after 9 iterations. iteration 97: trace = 1.069496500451968 (0.00140998% change) linmin: converged after 6 iterations. iteration 98: trace = 1.069483717677052 (0.00119522% change) linmin: converged after 7 iterations. iteration 99: trace = 1.069471278223669 (0.00116313% change) linmin: converged after 6 iterations. iteration 100: trace = 1.06945923417496 (0.00112617% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448851327664 (0.000970855% change) linmin: converged after 7 iterations. iteration 102: trace = 1.069440423052233 (0.000788098% change) linmin: converged after 8 iterations. iteration 103: trace = 1.06943341629119 (0.000655182% change) linmin: converged after 6 iterations. iteration 104: trace = 1.069427351691511 (0.000567087% change) linmin: converged after 8 iterations. iteration 105: trace = 1.069421991950771 (0.00050118% change) linmin: converged after 6 iterations. iteration 106: trace = 1.069417237263017 (0.000444605% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413021661628 (0.000394197% change) linmin: converged after 7 iterations. iteration 108: trace = 1.069409271797955 (0.000350648% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405907926083 (0.000314555% change) linmin: converged after 7 iterations. iteration 110: trace = 1.069402856330468 (0.000285355% change) linmin: converged after 6 iterations. iteration 111: trace = 1.069400057690149 (0.000261702% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397467746005 (0.000242187% change) linmin: converged after 4 iterations. iteration 113: trace = 1.069395055147854 (0.000225604% change) linmin: converged after 5 iterations. iteration 114: trace = 1.069392795548008 (0.000211297% change) linmin: converged after 6 iterations. iteration 115: trace = 1.069390667986788 (0.000198951% change) linmin: converged after 5 iterations. iteration 116: trace = 1.069388651793125 (0.000188537% change) linmin: converged after 5 iterations. iteration 117: trace = 1.069386725485558 (0.000180132% change) linmin: converged after 6 iterations. iteration 118: trace = 1.069384867350977 (0.000173757% change) linmin: converged after 6 iterations. iteration 119: trace = 1.069383056347029 (0.00016935% change) linmin: converged after 5 iterations. iteration 120: trace = 1.069381273352052 (0.000166731% change) linmin: converged after 6 iterations. iteration 121: trace = 1.069379502575999 (0.000165589% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377732475111 (0.000165526% change) linmin: converged after 9 iterations. iteration 123: trace = 1.069375956296534 (0.000166095% change) linmin: converged after 6 iterations. iteration 124: trace = 1.069374172381471 (0.000166818% change) linmin: converged after 6 iterations. iteration 125: trace = 1.069372383543138 (0.000167279% change) linmin: converged after 6 iterations. iteration 126: trace = 1.069370596350157 (0.000167126% change) linmin: converged after 6 iterations. iteration 127: trace = 1.069368819614125 (0.000166148% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367063038153 (0.000164263% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365335794284 (0.00016152% change) linmin: converged after 5 iterations. iteration 130: trace = 1.069363645584814 (0.000158057% change) linmin: converged after 5 iterations. iteration 131: trace = 1.069361997825419 (0.000154088% change) linmin: converged after 8 iterations. iteration 132: trace = 1.069360395640989 (0.000149826% change) linmin: converged after 9 iterations. iteration 133: trace = 1.069358839926056 (0.000145481% change) linmin: converged after 10 iterations. iteration 134: trace = 1.069357329779302 (0.00014122% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355862957836 (0.000137169% change) linmin: converged after 5 iterations. iteration 136: trace = 1.069354436480057 (0.000133396% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353047073695 (0.00012993% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351691598919 (0.000126757% change) linmin: converged after 5 iterations. iteration 139: trace = 1.069350367291781 (0.000123842% change) resetting CG direction... large trace change predicted (0.0145455%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194672200936 (0.0145608% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117227180259 (0.00724357% change) linmin: converged after 5 iterations. iteration 142: trace = 1.069075433321993 (0.00390927% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028117437097 (0.00442597% change) linmin: converged after 4 iterations. iteration 144: trace = 1.068963768497982 (0.00601957% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914038466646 (0.00465228% change) linmin: converged after 5 iterations. iteration 146: trace = 1.068856701497523 (0.00536418% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655831527 (0.00524365% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757368858115 (0.00405013% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741209543 (0.00373869% change) linmin: converged after 5 iterations. iteration 150: trace = 1.06867892647319 (0.00360117% change) linmin: converged after 5 iterations. iteration 151: trace = 1.068654685720936 (0.00226832% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642738115688 (0.00111801% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637175261485 (0.000520555% change) linmin: converged after 9 iterations. iteration 154: trace = 1.068633793641155 (0.000316443% change) linmin: converged after 5 iterations. iteration 155: trace = 1.068631061597097 (0.000255658% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628610214573 (0.000229395% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627264705593 (0.00012591% change) linmin: converged after 4 iterations. iteration 158: trace = 1.068626757565474 (4.74572e-05% change) linmin: converged after 6 iterations. iteration 159: trace = 1.068626630672032 (1.18744e-05% change) linmin: converged after 8 iterations. iteration 160: trace = 1.068626598168096 (3.04166e-06% change) linmin: converged after 4 iterations. iteration 161: trace = 1.06862658350739 (1.37192e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572358528 (1.04329e-06% change) linmin: converged after 5 iterations. iteration 163: trace = 1.06862656282348 (8.92271e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.06862655553583 (6.81964e-07% change) linmin: converged after 5 iterations. iteration 165: trace = 1.068626551007521 (4.2375e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.068626547254211 (3.51227e-07% change) linmin: converged after 5 iterations. iteration 167: trace = 1.068626544996587 (2.11264e-07% change) linmin: converged after 5 iterations. iteration 168: trace = 1.068626543620605 (1.28762e-07% change) linmin: converged after 7 iterations. iteration 169: trace = 1.068626542445714 (1.09944e-07% change) linmin: converged after 9 iterations. iteration 170: trace = 1.06862654076488 (1.57289e-07% change) large trace change predicted (3.14977e-07%) linmin: converged after 24 iterations. iteration 171: trace = 1.068626537399951 (3.14884e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533718157 (3.44535e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 1.068626531658123 (1.92774e-07% change) linmin: converged after 6 iterations. iteration 174: trace = 1.068626530812102 (7.91691e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530492099 (2.99452e-08% change) linmin: converged after 9 iterations. iteration 176: trace = 1.068626530327507 (1.54022e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530253259 (6.94804e-09% change) linmin: converged after 7 iterations. iteration 178: trace = 1.068626530158072 (8.90737e-09% change) large trace change predicted (2.1289e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.068626529930754 (2.1272e-08% change) linmin: converged after 15 iterations. iteration 180: trace = 1.068626529548319 (3.57875e-08% change) linmin: converged after 6 iterations. iteration 181: trace = 1.068626528964314 (5.46501e-08% change) linmin: converged after 3 iterations. iteration 182: trace = 1.068626528417228 (5.11952e-08% change) linmin: converged after 4 iterations. iteration 183: trace = 1.068626527716322 (6.55895e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 1.06862652689721 (7.66509e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526186427 (6.65138e-08% change) linmin: converged after 15 iterations. iteration 186: trace = 1.068626525702615 (4.52742e-08% change) linmin: converged after 3 iterations. iteration 187: trace = 1.068626525445696 (2.4042e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378945 (6.24643e-09% change) linmin: converged after 3 iterations. iteration 189: trace = 1.068626525351855 (2.53498e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.068626525338215 (1.27644e-09% change) linmin: converged after 4 iterations. iteration 191: trace = 1.068626525323278 (1.39781e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309726 (1.26813e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303432 (5.88946e-10% change) linmin: converged after 3 iterations. iteration 194: trace = 1.068626525299555 (3.62876e-10% change) linmin: converged after 4 iterations. iteration 195: trace = 1.068626525299044 (4.77698e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 32.71226191520691 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739714435 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277220374 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.07995725828511 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734912909 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252410888 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698395311 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218822376 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.07421373947036 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188248215 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233192 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731372 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.07411960845723 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350200927 (2.40435e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 1.074119193441737 (1.45942e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 1.074119086974316 (9.91207e-06% change) linmin: converged after 18 iterations. iteration 16: trace = 1.074118998457055 (8.24092e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 1.074118951618513 (4.36065e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564162 (1.96015e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698096 (7.32327e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920434621 (2.10728e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 1.074118919547732 (8.2569e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877308 (6.24162e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918119876 (7.05165e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268323 (7.92793e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472489 (7.40917e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915070731 (1.30503e-07% change) large trace change predicted (3.47228e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911341084 (3.47229e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899949536 (1.06055e-06% change) large trace change predicted (3.74502e-06%) linmin: converged after 3 iterations. iteration 29: trace = 1.074118859725554 (3.74484e-06% change) large trace change predicted (2.30121e-05%) linmin: converged after 5 iterations. iteration 30: trace = 1.074118613577724 (2.29163e-05% change) near maximum in trace linmin: converged after 13 iterations. iteration 31: trace = 1.074108654723984 (0.000927169% change) linmin: converged after 8 iterations. iteration 32: trace = 1.074107964424338 (6.42672e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 1.074107272412818 (6.44266e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.074106571471413 (6.52581e-05% change) linmin: converged after 8 iterations. iteration 35: trace = 1.074105852707999 (6.69174e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105109461725 (6.91968e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.0741043385726 (7.17704e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 1.074103540892071 (7.42647e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.074102721116606 (7.63219e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101886794994 (7.76762e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101046787423 (7.82056e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100209873489 (7.79176e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.074099384060022 (7.68842e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098576549985 (7.51802e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 1.074097793906102 (7.28652e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 1.074097041990257 (7.00044e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096325593049 (6.66976e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074095647953676 (6.30893e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 1.07409501044025 (5.93535e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 1.074094412542477 (5.56653e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.074093852160968 (5.21725e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 1.074093326068317 (4.89801e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 1.07409283040426 (4.61472e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092361107019 (4.36924e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 1.074091914239057 (4.16042e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091486203431 (3.98509e-05% change) linmin: converged after 11 iterations. iteration 57: trace = 1.074091073868095 (3.83892e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 1.074090674622949 (3.71705e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090286370427 (3.61471e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089907515096 (3.52722e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.074089536896985 (3.45053e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089173728303 (3.38118e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088817519624 (3.31638e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088468010824 (3.254e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.074088125087727 (3.19269e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.074087788736017 (3.13151e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087458983267 (3.07007e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087135872057 (3.00824e-05% change) linmin: converged after 9 iterations. iteration 69: trace = 1.074086819424619 (2.9462e-05% change) resetting CG direction... large trace change predicted (0.00552481%) linmin: converged after 5 iterations. iteration 70: trace = 1.07402747251898 (0.00552549% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995041125 (0.00349365% change) linmin: converged after 12 iterations. iteration 72: trace = 1.073965817824879 (0.00224703% change) linmin: converged after 5 iterations. iteration 73: trace = 1.073953308448255 (0.00116479% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950635285913 (0.000248909% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949455745053 (0.000109832% change) linmin: converged after 3 iterations. iteration 76: trace = 1.07394884485721 (5.68824e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073948012638046 (7.74915e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947354176622 (6.13122e-05% change) linmin: converged after 8 iterations. iteration 79: trace = 1.073947064791119 (2.6946e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.073946950419187 (1.06497e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946903710584 (4.34925e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 1.073946874503159 (2.71963e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 1.073946857634503 (1.57072e-06% change) linmin: converged after 2 iterations. iteration 84: trace = 1.073946849036259 (8.00621e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946844676049 (4.05999e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.073946841259404 (3.18139e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946837676255 (3.33643e-07% change) large trace change predicted (7.24233e-07%) linmin: converged after 2 iterations. iteration 88: trace = 1.073946829898374 (7.24233e-07% change) large trace change predicted (1.47626e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946814044193 (1.47625e-06% change) large trace change predicted (4.35024e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946767325633 (4.35017e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 1.073946679145813 (8.21082e-06% change) linmin: converged after 13 iterations. iteration 92: trace = 1.07394653002807 (1.3885e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 1.073946367807594 (1.51051e-05% change) linmin: converged after 18 iterations. iteration 94: trace = 1.073946258178413 (1.02081e-05% change) linmin: converged after 8 iterations. iteration 95: trace = 1.073946152215409 (9.8667e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 1.073946055252216 (9.02868e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945953332349 (9.49022e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 1.073945869470469 (7.80876e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.073945843524601 (2.41594e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945837385287 (5.7166e-07% change) linmin: converged after 12 iterations. iteration 101: trace = 1.073945836402898 (9.14748e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 1.073945836058465 (3.20717e-08% change) linmin: converged after 24 iterations. iteration 103: trace = 1.073945835877968 (1.68069e-08% change) linmin: converged after 19 iterations. iteration 104: trace = 1.073945835763839 (1.06271e-08% change) linmin: converged after 6 iterations. iteration 105: trace = 1.073945835716336 (4.42319e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 1.073945835701639 (1.36856e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 1.073945835696723 (4.57737e-10% change) linmin: converged after 3 iterations. iteration 108: trace = 1.07394583569429 (2.26522e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 1.073945835692681 (1.49795e-10% change) linmin: converged after 2 iterations. iteration 110: trace = 1.07394583569145 (1.14687e-10% change) linmin: converged after 9 iterations. iteration 111: trace = 1.073945835690716 (6.83328e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 15.83430528640747 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863490315585 (5.33663% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777229324 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328696786045 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255370176 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171401586 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695702394 (0.00739312% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058822981 (0.005548% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074864563442296 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338420812 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012959476 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426045968 (5.46042e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 1.074849271426672 (1.43852e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.074849229309185 (3.91846e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215182561 (1.31429e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211845827 (3.10437e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.07484921073603 (1.03251e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209962486 (7.19677e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209021715 (8.75259e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.0748492077767 (1.15832e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206719139 (9.83915e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205577648 (1.062e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203573379 (1.8647e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200248625 (3.09323e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195285907 (4.61713e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189786891 (5.11608e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.074849181228871 (7.96207e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.074849167025669 (1.32141e-06% change) linmin: converged after 19 iterations. iteration 28: trace = 1.074849153567851 (1.25207e-06% change) linmin: converged after 13 iterations. iteration 29: trace = 1.074849145742755 (7.28018e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.074849142292309 (3.21017e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247114 (1.90277e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.074849138714339 (1.42604e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.074849137906284 (7.51785e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608583 (2.7697e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533781 (6.9593e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 1.074849137516844 (1.57571e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512895 (3.67427e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849137511867 (9.56888e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 4.981858968734741 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946613439 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.07523533785071 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839444135 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825211994 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827452753 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993301281 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691969381 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266694636 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251702914 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631926145 (0.000803815% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311747915 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215294225 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360457624 (7.97164e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.072346902144856 (4.27392e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.072346623506356 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159297625 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.07234506891175 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995678537 (0.000193337% change) linmin: converged after 8 iterations. iteration 19: trace = 1.072339903847402 (0.000288325% change) linmin: converged after 26 iterations. iteration 20: trace = 1.072336586525834 (0.000309354% change) linmin: converged after 6 iterations. iteration 21: trace = 1.072331067862006 (0.00051464% change) linmin: converged after 7 iterations. iteration 22: trace = 1.072320822253961 (0.000955457% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842032951 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271287299 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565976 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606951 (8.01046e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653387 (2.17247e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014168804 (6.01369e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.072295982383637 (2.96422e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 1.072295961925382 (1.90789e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 1.072295950654617 (1.05109e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072295945181011 (5.10457e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072295942506064 (2.4946e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839723 (1.55399e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001731 (7.81494e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.07229593966661 (3.12526e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 1.072295939534591 (1.23118e-08% change) linmin: converged after 4 iterations. iteration 38: trace = 1.072295939489802 (4.17697e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475881 (1.29825e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471383 (4.19449e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.07229593946885 (2.36189e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464572 (3.98949e-10% change) large trace change predicted (1.11338e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452633 (1.1134e-09% change) large trace change predicted (2.51388e-09%) linmin: converged after 4 iterations. iteration 44: trace = 1.072295939425684 (2.51324e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939386053 (3.69592e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 1.072295939340147 (4.28109e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 1.072295939279214 (5.68252e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 1.072295939194631 (7.88797e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 1.07229593910162 (8.67406e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.072295939034323 (6.2759e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004894 (2.74454e-09% change) linmin: converged after 2 iterations. iteration 52: trace = 1.072295938995438 (8.81804e-10% change) linmin: converged after 6 iterations. iteration 53: trace = 1.072295938992633 (2.61659e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991746 (8.26846e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 5.782338857650757 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07340121849938 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358178133 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901350898 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.0695535124672 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.06933108728176 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782233 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139982171 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147439 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651599 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122787 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978800309365 (0.000490824% change) linmin: converged after 5 iterations. iteration 12: trace = 1.068976671400489 (0.000199154% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976061675592 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503293 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616362 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300797 (5.73592e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 1.068975611585373 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394309 (1.00275e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.068975371946318 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238400299 (1.24929e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.068975009008141 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 5 iterations. iteration 22: trace = 1.068974441379314 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230352277 (0.000113289% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971612251912 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673722007 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061966 (3.53293e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 1.068970144206145 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06897006461748 (7.44536e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.068970000607662 (5.98799e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 1.068969962460882 (3.56855e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599884 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463743 (6.67572e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705124 (3.51611e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 1.06896993232558 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392088 (8.73263e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 1.068969931132226 (2.43096e-08% change) linmin: converged after 15 iterations. iteration 37: trace = 1.068969931062233 (6.54774e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.068969931043938 (1.71147e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038531 (5.05773e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.068969931036688 (1.72365e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 1.06896993103593 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 6.813265085220337 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.072100871029735 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625144617 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623571927 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371541936 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421656347 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514099866 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840017269 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016821789 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593732184 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587638911 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443671997326 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721217859 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849484829 (8.17423e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.066439375223672 (4.44714e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.066439009920906 (3.42544e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.066438547198133 (4.33895e-05% change) linmin: converged after 24 iterations. iteration 17: trace = 1.066438083375613 (4.34927e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.066437660398672 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091982246 (5.33005e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003245269 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433061003442 (0.000275895% change) linmin: converged after 5 iterations. iteration 22: trace = 1.066427934766565 (0.000480691% change) linmin: converged after 30 iterations. iteration 23: trace = 1.066424326691444 (0.000338333% change) linmin: converged after 7 iterations. iteration 24: trace = 1.066422960618152 (0.000128099% change) linmin: converged after 5 iterations. iteration 25: trace = 1.066422499825244 (4.32092e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186811657 (2.93517e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.066421890528896 (2.77829e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.066421685763468 (1.92012e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 1.06642159054965 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709045 (3.07951e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618768 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040984 (6.16809e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.066421533956409 (2.89245e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545984 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098628 (4.19493e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981 (1.10302e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947815 (3.11181e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934532 (1.24558e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923697 (1.01596e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 1.066421531913855 (9.22953e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.066421531908571 (4.95468e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 1.066421531906717 (1.7388e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 1.066421531906148 (5.32821e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 8.335243463516235 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773604965 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570080581 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947074816 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964052161 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396938137 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989622728 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335051292 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062406794 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443696535 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.06470578433643 (0.000343696% change) linmin: converged after 5 iterations. iteration 11: trace = 1.064703064048174 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652735597 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182191319 (4.4195e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700943606627 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802696047 (1.32348e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064700694081259 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636609229 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617118281 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610394363 (6.31531e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607865834 (2.37487e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605636452 (2.0939e-07% change) large trace change predicted (4.79935e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600526578 (4.79935e-07% change) large trace change predicted (1.42418e-06%) linmin: converged after 4 iterations. iteration 23: trace = 1.064700585363382 (1.42417e-06% change) large trace change predicted (2.97957e-06%) linmin: converged after 4 iterations. iteration 24: trace = 1.064700553640431 (2.97952e-06% change) linmin: converged after 18 iterations. iteration 25: trace = 1.064700526786951 (2.52216e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508731266 (1.69585e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073484 (1.7524e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 1.064700466708247 (2.19454e-06% change) linmin: converged after 23 iterations. iteration 29: trace = 1.06470044669203 (1.87999e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159573 (8.01395e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712854 (3.23727e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874727 (9.96233e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.064700431313316 (5.27295e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 1.064700431122882 (1.78862e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069202 (5.04181e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049594 (1.84165e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14146e-09% change) linmin: converged after 5 iterations. iteration 39: trace = 1.064700431026589 (1.01925e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.064700431020416 (5.79772e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 1.064700431018628 (1.67884e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.064700431018217 (3.86445e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 5.80159592628479 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350256857 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.06900862671002 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244974187 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593269694 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127996658 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659752063 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318744432 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.06567551063221 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170315328 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512596607 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557365696 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856809688 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821687861 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533865889772 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310009858 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898642685 (3.86067e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.065532683276369 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562796837 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.065532411951178 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110051103 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537832729 (5.37026e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 1.06553095730435 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503254396 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.06552984864104 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 4 iterations. iteration 25: trace = 1.065528002343178 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574731398 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645935353 (0.00299659% change) linmin: converged after 9 iterations. iteration 28: trace = 1.065452554316755 (0.00319968% change) linmin: converged after 6 iterations. iteration 29: trace = 1.065430694066201 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520878208 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511944419 (0.000657859% change) linmin: converged after 5 iterations. iteration 32: trace = 1.06540762492902 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106257257 (0.000236405% change) linmin: converged after 3 iterations. iteration 34: trace = 1.065404017240623 (0.000102216% change) linmin: converged after 3 iterations. iteration 35: trace = 1.065403611191832 (3.81122e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 1.065403441828811 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323932342 (1.10659e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.065403209115777 (1.07768e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403107365718 (9.55038e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403054387964 (4.97255e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 1.06540303601522 (1.72449e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.065403029075787 (6.51344e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.065403024644487 (4.15927e-07% change) linmin: converged after 6 iterations. iteration 44: trace = 1.065403021192306 (3.24026e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018976769 (2.07953e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018006529 (9.10678e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.065403017544304 (4.3385e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.06540301707721 (4.3842e-08% change) large trace change predicted (8.98853e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.06540301611957 (8.98853e-08% change) large trace change predicted (2.34697e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013619096 (2.34697e-07% change) large trace change predicted (5.60932e-07%) linmin: converged after 12 iterations. iteration 51: trace = 1.065403007642869 (5.60936e-07% change) linmin: converged after 18 iterations. iteration 52: trace = 1.065402998323143 (8.74761e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266674 (1.13163e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 1.065402969177869 (1.60398e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 1.065402943673377 (2.39388e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 1.065402909801003 (3.1793e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.065402880544193 (2.74608e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.065402867305791 (1.24257e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588597 (4.42762e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.065402860542621 (1.92038e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.065402859235889 (1.22651e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 1.065402858140635 (1.02802e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385874 (7.08428e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.06540285703715 (3.27316e-08% change) linmin: converged after 2 iterations. iteration 65: trace = 1.065402856879938 (1.47562e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.065402856783457 (9.05579e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 1.065402856698865 (7.9399e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628627 (6.59263e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 1.065402856591383 (3.49579e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.06540285657846 (1.21295e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572683 (5.42313e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 1.065402856570917 (1.65731e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570141 (7.28406e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 7.091893434524536 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.06565298387963 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445111979978 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314062055384 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800076256362 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864883583945 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934076593912 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590166729623 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293109642 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369605698 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196272982 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733298897283 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686885986062 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05764371821719 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094475249 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169298974 (0.0025459% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843552251 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897774382 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493137504 (0.000416493% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622003613 (0.000271489% change) linmin: converged after 4 iterations. iteration 20: trace = 1.057546213279662 (0.000133207% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647265979 (5.35214e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 1.057545445060888 (1.91202e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 1.057545346459599 (9.3236e-06% change) linmin: converged after 22 iterations. iteration 24: trace = 1.057545294682111 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741628 (2.16922e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.05754526291091 (8.3502e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634118 (2.1529e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259833977 (7.56602e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398516 (4.11766e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.057545259108179 (2.74538e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 1.057545258933642 (1.6504e-08% change) linmin: converged after 9 iterations. iteration 32: trace = 1.057545258873732 (5.66495e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.05754525885484 (1.78642e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26139e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839642 (6.1099e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02886e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.057545258828682 (4.33446e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.057545258826096 (2.44543e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824421 (1.58396e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 1.057545258822975 (1.36685e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821915 (1.00278e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821418 (4.69266e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 6.674334764480591 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386852736 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940322 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979265 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822298 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219851 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455330029 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239812 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091036 (0.000413079% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04874197370127 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692948 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995077 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.04873813839741 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057088 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547413 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.04873784730365 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461937 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857728 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475256 (1.46676e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 1.048737774176587 (1.55412e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.048737760567198 (1.29769e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.048737751887526 (8.2763e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.048737748311013 (3.4103e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988579 (1.26098e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414591 (5.47313e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162667 (2.40217e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.048737746020625 (1.35441e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965863 (5.2217e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951456 (1.37376e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947919 (3.37258e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.048737745947215 (6.70747e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 5.2110278606414795 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320366995 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363743 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155701 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278532945 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545319 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330403 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368565 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612347 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.0420628870474 (0.000351376% change) linmin: converged after 6 iterations. iteration 10: trace = 1.042059736967608 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339037 (0.000268471% change) linmin: converged after 4 iterations. iteration 12: trace = 1.042055775662489 (0.000111671% change) linmin: converged after 4 iterations. iteration 13: trace = 1.042055457699151 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980323 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.04205532229387 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547835 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398348 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630022 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138575 (2.3503e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018135 (1.30175e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 1.042055201090035 (5.68885e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.042055199094494 (1.91501e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88297e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41908e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.042055197991545 (1.2823e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924896 (6.39597e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900918 (2.30098e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055197891543 (8.99723e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.042055197887333 (4.03963e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.042055197884503 (2.71553e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.042055197882747 (1.68528e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 1.042055197882128 (5.94716e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 4.176355838775635 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142558 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444511 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501656240105 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296697 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983601 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782759 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.03937784008029 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607829 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584078 (0.000657998% change) linmin: converged after 6 iterations. iteration 10: trace = 1.039358797682165 (0.000661165% change) linmin: converged after 6 iterations. iteration 11: trace = 1.039351522033681 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030266 (0.000363593% change) linmin: converged after 5 iterations. iteration 13: trace = 1.039346603568448 (0.000109632% change) linmin: converged after 4 iterations. iteration 14: trace = 1.039346252826993 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663298 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166342 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762957 (4.27224e-06% change) linmin: converged after 22 iterations. iteration 18: trace = 1.039346002477106 (5.22308e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.039345931774669 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606866 (6.55872e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 26 iterations. iteration 22: trace = 1.039345749422766 (4.61231e-06% change) linmin: converged after 21 iterations. iteration 23: trace = 1.039345724079955 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972817 (1.35731e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345701605026 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151121 (6.20958e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769053 (1.14913e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.66852e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103322 (1.73677e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69117e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 1.03934569001156 (2.13769e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005518 (5.81375e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.039345690002444 (2.95762e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999081 (3.23535e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.039345689993936 (4.95044e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.039345689988246 (5.47407e-10% change) linmin: converged after 13 iterations. iteration 38: trace = 1.03934568998542 (2.71941e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 1.039345689984554 (8.33191e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 4.215608596801758 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720368 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539336 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793082598 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04164114766723 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682081 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029144806 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957213918 (0.00250307% change) linmin: converged after 6 iterations. iteration 8: trace = 1.041547309521649 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 5 iterations. iteration 9: trace = 1.041457030682496 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060954174 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698681648 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772942722 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951208303 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073106853 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096986996 (0.000958419% change) linmin: converged after 5 iterations. iteration 16: trace = 1.040884173753158 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.0408818572946 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419144 (0.000166001% change) linmin: converged after 5 iterations. iteration 19: trace = 1.04087884692961 (0.000123212% change) linmin: converged after 5 iterations. iteration 20: trace = 1.04087828210478 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081421 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535576 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748251 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.040877888402689 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210208 (8.83147e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 1.040877831116786 (2.94841e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.040877780705328 (4.84317e-06% change) linmin: converged after 11 iterations. iteration 30: trace = 1.040877720799277 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373098 (5.22887e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834634 (2.83784e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021429 (8.46709e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968428 (2.9331e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448756 (1.45999e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408063 (9.99823e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570066 (8.05087e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 1.040877621105911 (4.45927e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899616 (1.98193e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810224 (8.58814e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768347 (4.02326e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.04087762074264 (2.46972e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 1.04087762072244 (1.94065e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697845 (2.36293e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.040877620655492 (4.06899e-09% change) large trace change predicted (8.316e-09%) linmin: converged after 23 iterations. iteration 46: trace = 1.040877620568931 (8.31613e-09% change) linmin: converged after 25 iterations. iteration 47: trace = 1.040877620412678 (1.50117e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.040877620260928 (1.4579e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04054e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.040877620163349 (2.33417e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156028 (7.03331e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153325 (2.59658e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 1.040877620151857 (1.41007e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150956 (8.66524e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 8.502089262008667 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695% total elapsed time for run: 195.64629125595093 done /tmp/meepYM7cP9/test_diamond-0: 195.73s /tmp/meepYM7cP9/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.05435633659362793 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 15.010498021346 (194.322% change) linmin: converged after 10 iterations. iteration 2: trace = 6.706692165762185 (76.4722% change) linmin: converged after 5 iterations. iteration 3: trace = 5.931553794782948 (12.2665% change) linmin: converged after 5 iterations. iteration 4: trace = 5.6626353420037 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.527372289713447 (2.41757% change) linmin: converged after 9 iterations. iteration 6: trace = 5.474817264686457 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710787579 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006417282 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735002818 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793421508 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.4326292019378 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964487992 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964019358 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252890605 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096366349 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783177259 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499317009 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004383361 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213034 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232372 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533288641 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261772 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414579782587724 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159788051 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.41453770936717 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428772 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097875 (0.000191565% change) linmin: converged after 5 iterations. iteration 28: trace = 5.414506000595689 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958568 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822161 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585159968 (0.000143553% change) linmin: converged after 4 iterations. iteration 32: trace = 5.414473688675649 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062535 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517081 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896522 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684608 (1.16746e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.414470802007637 (5.29636e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 5.414470781361678 (3.81311e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 5.414470762077166 (3.56166e-07% change) linmin: converged after 20 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667675 (3.45714e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127531 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366221 (2.35689e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 5.414470683200209 (1.87756e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912604 (1.53064e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970536 (9.12752e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695277 (4.20218e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 5.414470666815672 (1.62454e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 5.414470666454856 (6.66391e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309422 (2.68604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257191 (9.64641e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225628 (5.82941e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199074 (4.90424e-10% change) linmin: converged after 16 iterations. iteration 54: trace = 5.414470666173623 (4.70067e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 5.414470666149845 (4.39146e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 5.414470666128747 (3.89656e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 5.414470666110463 (3.37688e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093909 (3.0575e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 5.41447066608077 (2.42661e-10% change) linmin: converged after 6 iterations. iteration 60: trace = 5.414470666072175 (1.58739e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 3.3376564979553223 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.41403420081913 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431346 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235943 (0.116695% change) linmin: converged after 8 iterations. iteration 4: trace = 5.385733021260244 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764185888 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308347506 (0.00507812% change) linmin: converged after 3 iterations. iteration 7: trace = 5.384742385264802 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.384707331033317 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.38469712543302 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738827012 (4.4322e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.384693738418333 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474304 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290619 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19546e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.384693227539165 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657309 (9.06617e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.384693220298978 (4.37969e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.384693219444983 (1.58597e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 5.384693219150676 (5.46564e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100488 (9.32038e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.384693219085559 (2.77256e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 1.7409069538116455 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708016967 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.34722213506751 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037295 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997323115 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076779406 (0.0019817% change) linmin: converged after 3 iterations. iteration 6: trace = 5.344849146440733 (0.000559983% change) linmin: converged after 22 iterations. iteration 7: trace = 5.344835115273662 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084766 (9.83976e-05% change) linmin: converged after 10 iterations. iteration 9: trace = 5.344828194804581 (3.1082e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.34482778191428 (7.72504e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 5.344827673972688 (2.01955e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.344827628371226 (8.53189e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34482761778566 (1.98053e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.344827614523979 (6.1025e-08% change) linmin: converged after 15 iterations. iteration 15: trace = 5.344827613901673 (1.16431e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.344827613761431 (2.62389e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731026 (5.68868e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.344827613719946 (2.07304e-10% change) linmin: converged after 7 iterations. iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 1.3683011531829834 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320235624 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355250337 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635047892 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678894591 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699653032 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391909682 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504789 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683688 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811745 (2.36636e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 5.332538862039456 (3.91506e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 5.332538810551377 (9.65545e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.332538790057334 (3.84321e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.332538782348786 (1.44557e-07% change) linmin: converged after 11 iterations. iteration 14: trace = 5.332538778533824 (7.15412e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.33253877716299 (2.5707e-08% change) linmin: converged after 26 iterations. iteration 16: trace = 5.332538776748035 (7.78157e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.332538776643096 (1.9679e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.33253877660365 (7.39719e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.332538776587458 (3.03652e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581433 (1.12976e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 1.3866288661956787 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432914471 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.35681496597751 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997895033 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701676444 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600391805 (0.00848364% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473034 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551781 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977405 (0.000377464% change) linmin: converged after 3 iterations. iteration 9: trace = 5.352160538189254 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103698383 (8.28543e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779187 (4.54194e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.352152330741596 (2.50747e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.35215188575005 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938054 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468186 (9.42983e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.352151666678834 (2.76325e-07% change) linmin: converged after 16 iterations. iteration 17: trace = 5.352151661664975 (9.36793e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840976 (3.40797e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.35215165933784 (9.40062e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154265 (3.42994e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.352151659081809 (1.35377e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049177 (6.09693e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.352151659038401 (2.01345e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 1.6333436965942383 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214230133 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985673 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869995439 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420763032 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128030709 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882337 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031405 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374350685 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794407 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587783547 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343263 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.3782175387905 (0.000383575% change) linmin: converged after 6 iterations. iteration 13: trace = 5.378209482090192 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014855 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789658 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.378205024912403 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150022 (3.11672e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.378205002382006 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047539 (9.91868e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784511 (7.92649e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.378204989224097 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266805 (3.6393e-08% change) linmin: converged after 17 iterations. iteration 26: trace = 5.378204986560163 (1.3139e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 5.378204986365555 (3.61845e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 5.378204986298523 (1.24636e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.378204986252788 (8.50376e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.37820498622292 (5.55363e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206847 (2.98845e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199393 (1.38605e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.378204986194201 (9.65267e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 1.6916067600250244 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784984 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.29404612333864 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234180934 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119399746 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824734812 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018346 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590548 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052713 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428478 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890185 (0.000117924% change) linmin: converged after 3 iterations. iteration 11: trace = 5.280992817488488 (4.23102e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892319 (1.6315e-05% change) linmin: converged after 8 iterations. iteration 13: trace = 5.280991779814332 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376504 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857131 (2.18129e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.280991716887279 (5.62366e-08% change) linmin: converged after 28 iterations. iteration 17: trace = 5.280991715662336 (2.31953e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.280991715170658 (9.31033e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.280991714932153 (4.5163e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.280991714863475 (1.30047e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843208 (3.83779e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 5.280991714835511 (1.45748e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829545 (1.12969e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.280991714822687 (1.29872e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.28099171481807 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 1.1868400573730469 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281905371 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367542724 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.122357731850104 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238796 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726682798 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069779 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740887 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676667 (0.000159839% change) linmin: converged after 6 iterations. iteration 9: trace = 5.121437287250298 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310326 (9.33215e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.121436715075805 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.1214366855107 (5.77281e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.121436680112657 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590915 (2.97132e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180302 (8.01753e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101738 (1.53404e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.1214366780824 (3.77578e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.121436678073881 (1.66348e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060031 (2.7042e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.121436678042873 (3.35037e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033497 (1.83066e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.121436678029987 (6.8537e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 1.1956510543823242 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457157 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163390585 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812258216 (0.0144763% change) linmin: converged after 4 iterations. iteration 4: trace = 4.989343647112834 (0.00341051% change) linmin: converged after 3 iterations. iteration 5: trace = 4.989291241668816 (0.00105035% change) linmin: converged after 5 iterations. iteration 6: trace = 4.989274244813382 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671027 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922126 (3.38677e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.989265604082178 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.989265515601312 (1.77342e-06% change) linmin: converged after 19 iterations. iteration 11: trace = 4.989265501206923 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708839 (9.01552e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.989265495704011 (2.01398e-08% change) linmin: converged after 21 iterations. iteration 14: trace = 4.989265495448894 (5.11331e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 4.989265495393171 (1.11687e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 4.989265495383631 (1.91209e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381124 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 1.1971125602722168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536844211 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118934637 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641584239 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816827293 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084889064 (0.000504114% change) linmin: converged after 14 iterations. iteration 6: trace = 4.90600738959164 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953579 (3.16885e-05% change) linmin: converged after 21 iterations. iteration 8: trace = 4.906005406698485 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385232 (3.10463e-06% change) linmin: converged after 18 iterations. iteration 10: trace = 4.906005216417528 (7.73903e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.906005209418575 (1.42661e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.906005206803123 (5.33112e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252121 (1.12312e-08% change) linmin: converged after 15 iterations. iteration 14: trace = 4.906005206142125 (2.24206e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.906005206125053 (3.47993e-10% change) linmin: converged after 8 iterations. iteration 16: trace = 4.906005206120705 (8.86186e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.9370296001434326 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825184451 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626561798 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752866675 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496002 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932666951 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735246 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798982 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093842 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075416 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591742 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070434 (2.49875e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.877776571775754 (6.04129e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.877776571718371 (1.17641e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 4.877776571708919 (1.93777e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.877776571705258 (7.50562e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 1.3134238719940186 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026457 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880211 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362581 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668675 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539686 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844871 (1.02794e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.933541212739493 (1.23752e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751461 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.933541210308102 (8.98663e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.933541210231291 (1.55691e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.933541210216972 (2.90242e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.93354121021467 (4.66634e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 1.4226207733154297 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.09950711216279 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310897 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632202 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562915948 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953231 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324336 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 5 iterations. iteration 8: trace = 5.086793518222221 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445188 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.086789203381458 (1.60821e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.08678904552023 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806468 (1.05595e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.086788981872509 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939783 (3.7995e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.086788979425329 (1.01135e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.086788979343621 (1.60628e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.086788979319499 (4.7421e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.086788979306894 (2.47799e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.086788979301443 (1.07155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.086788979299675 (3.47464e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.9369874000549316 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730342 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324799 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134993 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364312 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518456 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149962 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537655 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730882 (0.00274585% change) linmin: converged after 6 iterations. iteration 9: trace = 5.263272539866859 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021758 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625349 (1.82199e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.263256607031205 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248049 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468796 (3.94798e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.263256521693531 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415705 (3.65701e-08% change) linmin: converged after 18 iterations. iteration 19: trace = 5.263256512765319 (1.23571e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.263256512526155 (4.54404e-09% change) linmin: converged after 17 iterations. iteration 21: trace = 5.263256512381847 (2.74179e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.263256512319999 (1.1751e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.263256512296811 (4.40558e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.263256512290631 (1.17434e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.263256512288835 (3.41214e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 1.0227899551391602 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127255 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224942905 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703693424 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157768965 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246647 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245635 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967524 (0.00155035% change) linmin: converged after 12 iterations. iteration 8: trace = 5.36296230885997 (0.000888779% change) linmin: converged after 5 iterations. iteration 9: trace = 5.362928148997674 (0.000636961% change) linmin: converged after 3 iterations. iteration 10: trace = 5.362908167194895 (0.000372592% change) linmin: converged after 3 iterations. iteration 11: trace = 5.362897445562917 (0.000199922% change) linmin: converged after 10 iterations. iteration 12: trace = 5.36289083229464 (0.000123315% change) linmin: converged after 11 iterations. iteration 13: trace = 5.362888873060142 (3.65332e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.362888159902996 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137234 (4.19113e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 5.362887877004615 (1.08398e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.362887858604033 (3.4311e-07% change) linmin: converged after 19 iterations. iteration 18: trace = 5.362887851988788 (1.23352e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.362887849877572 (3.93671e-08% change) linmin: converged after 8 iterations. iteration 20: trace = 5.362887849213489 (1.23829e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 5.362887849013022 (3.73805e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 5.362887848952667 (1.12542e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922164 (5.68774e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904127 (3.36332e-10% change) linmin: converged after 16 iterations. iteration 25: trace = 5.362887848892482 (2.17139e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.362887848885797 (1.24659e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.362887848881173 (8.62195e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.8620927333831787 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864450057 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.432871450760013 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.42268849791254 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175639966 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105681037619 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295320584 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173547 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037634 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483996364 (0.000992868% change) linmin: converged after 3 iterations. iteration 10: trace = 5.414576265050929 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861069105 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419970065 (0.000174365% change) linmin: converged after 17 iterations. iteration 13: trace = 5.414537376508578 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.414500553000028 (0.000680088% change) linmin: converged after 7 iterations. iteration 15: trace = 5.414478702494632 (0.000403556% change) linmin: converged after 5 iterations. iteration 16: trace = 5.414472728543718 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.4144713305419 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198768 (8.98228e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354928 (2.30574e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.41447068131429 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480572 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611978 (5.29801e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661455 (1.75552e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362712 (5.51748e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267753 (1.75381e-09% change) linmin: converged after 14 iterations. iteration 26: trace = 5.414470666221955 (8.45829e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.414470666193713 (5.21608e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171704 (4.06486e-10% change) linmin: converged after 13 iterations. iteration 29: trace = 5.414470666155404 (3.01042e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140535 (2.74616e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414470666122158 (3.39411e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.414470666102798 (3.57553e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086904 (2.93562e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414470666075434 (2.11822e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.414470666069082 (1.1732e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 5.414470666066688 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 1.1347205638885498 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% total elapsed time for run: 22.45462393760681 done /tmp/meepYM7cP9/test_epsilon_input_file-0: 22.46s /tmp/meepYM7cP9/test_first_brillouin_zone-0 ======================== /tmp/meepYM7cP9/test_first_brillouin_zone-0: 1.14s /tmp/meepYM7cP9/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0008814334869384766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.4811423715298 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 55.2326%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) switching back to exact line minimization iteration 6: trace = 83.33333352466074 (7.15943e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 83.3333333365707 (2.25708e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 83.33333333338271 (3.82559e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 83.33333333333449 (5.78609e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.022541284561157227 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 82.33333333334652 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.015416383743286133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.84479e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.0005052089691162109 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0004773139953613281 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.33333333333331 (4.88159e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.0004508495330810547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666669 (1.55028e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0004558563232421875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 73.7013%) iteration 1: trace = 90.66666666668117 (3.571% change) iteration 2: trace = 90.66666682539551 (1.75053e-07% change) iteration 3: trace = 90.66666666666673 (1.75069e-07% change) iteration 4: trace = 90.66666666666666 (7.83687e-14% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.03346538543701172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (1.56163e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.0005502700805664062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 63.8393%) iteration 1: trace = 92.66666666666671 (3.06709e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.0005805492401123047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 95.66666666666667 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.0004916191101074219 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.01876997947692871 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.4272%) iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.0005655288696289062 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 85.33333333333336 (1.66533e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.000453948974609375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 82.00000000000001 (1.73303e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0005345344543457031 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 33 iterations. iteration 1: trace = 81.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.009684324264526367 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 83.33333333333336 (5.11591e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0006079673767089844 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193134 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974065 at Vector3<0.5, 0.0, 0.0> to 2.88675134594814 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109015 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948132 at Vector3<0.0, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.227486121839518 at Vector3<0.5, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136474 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665333 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.10832595825195312 done /tmp/meepYM7cP9/test_fractional_lattice-0: 0.12s /tmp/meepYM7cP9/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.017528057098388672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.0425100326538086 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 6.939607381820679 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 1.9058446884155273 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.9305508136749268 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.9384937286376953 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.729388952255249 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.9311351776123047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.8293559551239014 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.75468111038208 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.7632179260253906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.6652059555053711 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.0130250453948975 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 1.0273382663726807 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.810429573059082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.5043377876281738 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.8213396072387695 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 32.641899824142456 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepYM7cP9/test_get_bfield-0: 32.72s /tmp/meepYM7cP9/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.028900861740112305 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.5683903694152832 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 7.781702041625977 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 2.0101003646850586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.7626080513000488 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.9487206935882568 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.805699110031128 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.9196767807006836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.5265815258026123 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.5344960689544678 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 1.4025228023529053 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 1.4136507511138916 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.807586669921875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.825589656829834 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.466672658920288 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.5876998901367188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 3.7722790241241455 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 34.20751953125 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 ./tmp/meepYM7cP9/test_get_dfield-0: 34.25s /tmp/meepYM7cP9/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.020824193954467773 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.4353652000427246 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 4.822042226791382 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 1.5325207710266113 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.0387341976165771 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.4392273426055908 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.144808530807495 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.8928961753845215 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.503748893737793 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.4935901165008545 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 2.0763909816741943 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.7893269062042236 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.459606647491455 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 1.0939068794250488 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.220313549041748 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.4702794551849365 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 3.8745272159576416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 30.311590909957886 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepYM7cP9/test_get_efield-0: 30.35s /tmp/meepYM7cP9/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012727499008178711 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.6076083183288574 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696582 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490526 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526946 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966812 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299298 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122106 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56769679186448 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484449 (0.00159761% change) linmin: converged after 4 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766407 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307059 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639377 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003683 (1.09636e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 5.567408898969297 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891888 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106272 (9.6608e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704724673 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925327 (1.58051e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.567408689562775 (1.14282e-07% change) linmin: converged after 20 iterations. iteration 22: trace = 5.567408680883096 (1.55902e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.567408666017618 (2.67009e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087335 (3.75943e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756644 (5.4479e-07% change) large trace change predicted (2.01094e-06%) linmin: converged after 4 iterations. iteration 26: trace = 5.567408502814525 (2.01067e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934810359823 (0.00850867% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934505159929 (5.48237e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 5.566934199943775 (5.48266e-06% change) linmin: converged after 7 iterations. iteration 30: trace = 5.56693389481052 (5.48117e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.566933589846162 (5.47814e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933285124756 (5.47377e-06% change) linmin: converged after 9 iterations. iteration 33: trace = 5.566932980709135 (5.46828e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932676621887 (5.46238e-06% change) linmin: converged after 15 iterations. iteration 35: trace = 5.566932372966671 (5.45462e-06% change) linmin: converged after 7 iterations. iteration 36: trace = 5.566932069727256 (5.44715e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.56693176697333 (5.43843e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693146470438 (5.42972e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931162934921 (5.42075e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930861654382 (5.41197e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.566930560905994 (5.40241e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930260670055 (5.3932e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566929960942561 (5.38407e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.566929661716138 (5.37507e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929362952369 (5.36676e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929064694512 (5.35767e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928766875275 (5.34979e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928469525604 (5.34136e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.56692817259577 (5.33382e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.56692787607921 (5.32639e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692757994756 (5.31948e-06% change) linmin: converged after 7 iterations. iteration 52: trace = 5.566927284178287 (5.31297e-06% change) linmin: converged after 10 iterations. iteration 53: trace = 5.566926988731351 (5.30718e-06% change) linmin: converged after 15 iterations. iteration 54: trace = 5.566926693615613 (5.30123e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.56692639877607 (5.29627e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 5.566926104215404 (5.29126e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.566925809894014 (5.28696e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925515775385 (5.28332e-06% change) linmin: converged after 11 iterations. iteration 59: trace = 5.566925221854762 (5.27977e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924928095346 (5.27687e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924634462735 (5.27459e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924340939635 (5.27263e-06% change) linmin: converged after 7 iterations. iteration 63: trace = 5.56692404750644 (5.27101e-06% change) linmin: converged after 23 iterations. iteration 64: trace = 5.566923754129689 (5.27e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923460778015 (5.26955e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923167431536 (5.26945e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922874064527 (5.26982e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 5.566922580655327 (5.27058e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 5.566922287171046 (5.27193e-06% change) resetting CG direction... large trace change predicted (0.0754188%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718512782029 (0.075542% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516076385325 (0.0575862% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556791790405083 (0.0490142% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554010353428814 (0.0500673% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552005582857545 (0.0361024% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550547712228479 (0.0262619% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549457268880531 (0.0196476% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548473999494187 (0.0177199% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114264378192 (0.0245095% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545235393501411 (0.0338769% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543228109084729 (0.0362049% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884091982618 (0.024249% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541239968218262 (0.0116235% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832071170986 (0.00736139% change) linmin: converged after 4 iterations. iteration 84: trace = 5.540632074196049 (0.00360958% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551195367696 (0.00145975% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517966360051 (0.000599744% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050758501761 (0.000187372% change) linmin: converged after 5 iterations. iteration 88: trace = 5.540503174032403 (7.96134e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.54050151560827 (2.99327e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500784614716 (1.31936e-05% change) linmin: converged after 13 iterations. iteration 91: trace = 5.540500263761089 (9.40084e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 5.54049982753501 (7.87341e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 5.540499525516076 (5.45111e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499204019576 (5.80266e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498783005636 (7.59885e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498244686079 (9.71609e-06% change) linmin: converged after 8 iterations. iteration 97: trace = 5.540497715640619 (9.5487e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529492564 (3.35977e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433083058 (1.74009e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497372993969 (1.08454e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320879106 (9.40617e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282464852 (6.93336e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.540497260411306 (3.98043e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250229082 (1.83778e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245835659 (7.92966e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.54049724429488 (2.78094e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.540497243575158 (1.29902e-08% change) linmin: converged after 15 iterations. iteration 108: trace = 5.540497243249977 (5.86916e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243061477 (3.40222e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 5.540497242956238 (1.89944e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242912883 (7.82521e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242878081 (6.28145e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.540497242842925 (6.34526e-10% change) linmin: converged after 6 iterations. iteration 114: trace = 5.540497242789407 (9.65944e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242722664 (1.20462e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658179 (1.16389e-09% change) linmin: converged after 5 iterations. iteration 117: trace = 5.540497242618782 (7.11072e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597686 (3.8076e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587047 (1.92031e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581502 (1.00079e-10% change) linmin: converged after 5 iterations. iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 5.314785480499268 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000252259 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.08995e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000416155 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.54618e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.0013508i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081822686 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029228409 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358038294 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093779247 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599955 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472484 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717327 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902817 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643219 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353633 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158968 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.499375016510671 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565689 (8.71826e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.499374947904278 (8.69224e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845085 (1.92602e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72148e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.499374946459589 (2.28834e-09% change) linmin: converged after 18 iterations. iteration 20: trace = 5.499374946407672 (9.44063e-10% change) linmin: converged after 15 iterations. iteration 21: trace = 5.499374946373183 (6.27141e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.499374946309954 (6.07018e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288361 (3.92652e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.499374946279792 (1.5582e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 1.1448941230773926 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.1595e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62507e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.00022e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.35597e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.08219e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.49616707008053 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190713 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948148 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973381 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583483 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149569 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235764 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535459 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740719 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 20 iterations. iteration 14: trace = 5.485459100856755 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.48545909016168 (1.94971e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892922 (1.1428e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.485459081556677 (4.25898e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.485459080639322 (1.67234e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.48545908025817 (6.94841e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162858 (1.73753e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117771 (8.21946e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098437 (3.52457e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091238 (1.31232e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.1741926670074463 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.13082e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 9.88711e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.95405e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -6.49491e-15i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50986e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023693828 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601575505 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987799204 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809300058 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443437179 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668689 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729359 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832038 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535196 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715469 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385451024 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323756 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496837 (4.82858e-05% change) linmin: converged after 7 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.5043624297593 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909878 (8.29627e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.504362102222021 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716718 (1.18185e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750762 (1.34464e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 5.504362092362591 (7.05207e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.50436209212603 (4.2977e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030179 (1.74135e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995303 (6.33608e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.50436209198424 (2.00989e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.1525752544403076 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 4.56352e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -3.04813e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 8.20994e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.08556e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.69128e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373809171 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679615654 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137112 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.55028934317466 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553176633 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597163 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562529 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112738457 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684541 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443713 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.53994911671489 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259862 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189877 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693491 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652981 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689269 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647867 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294861 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295128 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344396 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767448 (3.18796e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460983 (2.49702e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282535843 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565903 (1.55212e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778634 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688565 (2.11411e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 5.538866904154692 (1.5623e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340915 (4.84102e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871036264 (1.13826e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549572 (2.68411e-08% change) linmin: converged after 19 iterations. iteration 33: trace = 5.538866869090082 (8.29574e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883928 (3.72196e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762618 (2.19016e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 5.538866868693111 (1.2549e-09% change) linmin: converged after 14 iterations. iteration 37: trace = 5.538866868641512 (9.31575e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 5.538866868615177 (4.75465e-10% change) linmin: converged after 8 iterations. iteration 39: trace = 5.538866868605617 (1.72589e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600071 (1.00125e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 5.538866868590809 (1.67233e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573494 (3.1261e-10% change) linmin: converged after 14 iterations. iteration 43: trace = 5.538866868559321 (2.55877e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.9868111610412598 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.03732e-12 + 1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by 5.3796e-14 + 1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by -1 + 2.37437e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by -1 + -5.25629e-15i; max ampl. = 4.2595 Fixing h-field (band 8) phase by -6.95505e-13 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033764859 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.4416000819508 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780935425 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922759868 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451089564 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871772 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703261 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600382 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279282 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788511001 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680921 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901312 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.419798149677875 (1.5395e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322979 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.41979774854683 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573565 (1.84015e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735608468 (5.47086e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734089036 (2.80349e-08% change) linmin: converged after 17 iterations. iteration 21: trace = 5.419797733507783 (1.07246e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151182 (2.03849e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102875 (8.91292e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077009 (4.77258e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054169 (4.21409e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.419797733031985 (4.09315e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.419797733016725 (2.81573e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.419797733003427 (2.45356e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989454 (2.57811e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 5.419797732973866 (2.8762e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963326 (1.94456e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.8991637229919434 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -9.57625e-14 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.04973e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by 5.05322e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by -3.73762e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 9.22068e-13i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094051 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170534 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577934 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568209 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212077 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235879626 (0.00400633% change) linmin: converged after 17 iterations. iteration 7: trace = 5.240908449573097 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597347 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765799 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877272 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699077 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786501 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364838 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950743164 (6.91047e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555025 (2.26707e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.240853949031684 (2.81883e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.240853948976927 (1.04481e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939868 (7.07122e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.2408539488835 (1.07554e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.240853948833735 (9.49569e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802547 (5.95084e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778204 (4.64489e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.240853948757241 (3.99988e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.240853948742306 (2.84984e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.24085394873585 (1.23172e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.286759614944458 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by 5.70938e-13 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by 1.93791e-14 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 5.61235e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by -5.8315e-13 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -2.63931e-13i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912779 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052854 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866202 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833601 (0.00623852% change) linmin: converged after 3 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031522 (0.000854589% change) linmin: converged after 7 iterations. iteration 7: trace = 5.096556387466497 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.09654810512098 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.096544340283684 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838803 (9.70165e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659999 (2.58583e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.096544274637574 (5.93034e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956438 (1.33647e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766987 (3.71725e-09% change) linmin: converged after 22 iterations. iteration 17: trace = 5.096544273707483 (1.16753e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88282e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621836 (9.9221e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.096544273547281 (1.46286e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463905 (1.63591e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.096544273426197 (7.39884e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.096544273414498 (2.29549e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.5196475982666016 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 2.83277e-16 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by 8.24069e-13 + -1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 9.83119e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by 1.27348e-11 + 1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + -1.70983e-11i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945950273 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389307009305 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599279913 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313196149 (0.00358098% change) linmin: converged after 8 iterations. iteration 5: trace = 5.006460294302824 (0.00137859% change) linmin: converged after 4 iterations. iteration 6: trace = 5.006443503180899 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863859 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606345235 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310774 (1.27243e-05% change) linmin: converged after 18 iterations. iteration 10: trace = 5.006436638672509 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138784 (1.98812e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318635 (1.79344e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.006436497214729 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812794 (8.02835e-09% change) linmin: converged after 13 iterations. iteration 16: trace = 5.006436496713436 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673629 (7.95122e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632912 (8.13306e-10% change) large trace change predicted (2.20207e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.006436496522667 (2.20205e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.006436496410069 (2.24906e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.006436496357248 (1.05508e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.00643649634443 (2.56016e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.9352724552154541 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by -1 + -1.69173e-12i; max ampl. = 1.64641 Fixing h-field (band 5) phase by 6.05644e-15 + -1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by 6.38217e-13 + 1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -3.83599e-15 + -1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + -5.64393e-15i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750395213 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350116369 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668860984 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201928327 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205361087 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191053 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125455 (4.0958e-05% change) linmin: converged after 22 iterations. iteration 8: trace = 4.97598446244914 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964184 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211344 (9.3957e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.975984281705329 (3.92003e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.975984271802615 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162569 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893697 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819593 (1.48924e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774329 (9.09636e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.97598426570684 (1.3563e-09% change) large trace change predicted (3.4883e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533267 (3.48822e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.97598426542687 (2.1382e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393326 (6.74115e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384496 (1.77458e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.935941219329834 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -1.12741e-10i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + 1.67001e-14i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.27634e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -1.93784e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 1.29522e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647620472 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694840728 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796214106 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352526 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550591 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602301 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251284 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323867 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 26 iterations. iteration 11: trace = 5.03637849730083 (1.27317e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.036378484106185 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 5.03637848012837 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44956e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909357 (8.99063e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25132e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.0986223220825195 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -9.49411e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by 2.94781e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -2.77483e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by -3.16986e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + -1.08633e-09i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.21913235216869 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319364 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516376 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118343 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347182 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445572 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211532 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670567 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491536 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192129 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082154 (9.81448e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507296 (3.02475e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 5.206566306040202 (8.97126e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927633 (2.16205e-09% change) linmin: converged after 12 iterations. iteration 19: trace = 5.206566305900049 (5.29796e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893731 (1.21339e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.9537887573242188 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by 2.53743e-14 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by 5.3903e-15 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 8.46556e-10 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -1.46167e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.07897e-09i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299449 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812747131 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418965 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552479 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971081 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855458 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333392 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575112 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939795 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895428 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169108 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907005 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745807 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 5.417088812132397 (8.50554e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.417088788744922 (4.31735e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389871 (2.28075e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.417088770680235 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321152 (4.35489e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.417088767370208 (1.75545e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 5.417088766928411 (8.15561e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.417088766681355 (4.56067e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554602 (2.33989e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462994 (1.69109e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 5.417088766423699 (7.25386e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.41708876641256 (2.05637e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.0001890659332275 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -3.61395e-15 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 1.35722e-10 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 3.00373e-14 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 7.22546e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 7.18452e-11i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178966252 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902366905 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640700966 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154754 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.52412996609098 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860146 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215829 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379386 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667624 (0.00194077% change) linmin: converged after 5 iterations. iteration 10: trace = 5.522540696465857 (0.00197377% change) linmin: converged after 7 iterations. iteration 11: trace = 5.522446530191621 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.522358366920805 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787116066 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461643 (0.000382933% change) linmin: converged after 4 iterations. iteration 15: trace = 5.522271218167427 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619549674 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291797 (1.19744e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.522267758808093 (3.61235e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 5.522267691563139 (1.21771e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 5.522267667644009 (4.3314e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.522267656937707 (1.93875e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032022 (7.07261e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434978 (4.70286e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 5.522267648929224 (2.7267e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.52226764812226 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457968 (1.20293e-08% change) linmin: converged after 21 iterations. iteration 27: trace = 5.52226764682253 (1.15068e-08% change) linmin: converged after 5 iterations. iteration 28: trace = 5.522267646290366 (9.63669e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965354 (5.88548e-09% change) linmin: converged after 20 iterations. iteration 30: trace = 5.522267645803387 (2.93299e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716794 (1.56807e-09% change) linmin: converged after 13 iterations. iteration 32: trace = 5.522267645679253 (6.79805e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 5.522267645667594 (2.11129e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.9211916923522949 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -1.96012e-14 + 1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -1.73064e-09i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -8.62145e-14 + -1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by -6.00378e-11 + 1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by -1 + -1.49798e-14i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343686153 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468803457 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640948285 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172751885 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736264788 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767956 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897365 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418613 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938949176 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399634 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880777268 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664429506 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253128 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283162064 (0.00806656% change) near maximum in trace linmin: converged after 14 iterations. iteration 15: trace = 5.566399673346653 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201915931 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389178356 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785228282 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.56266800884599 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637722995 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631093034 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618543751 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.55696024491716 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.55578958693094 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798721044623 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114235886 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035979616 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676979562 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838245825 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970061278 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060972303 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956976141 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.5514735904469 (0.00441975% change) linmin: converged after 5 iterations. iteration 34: trace = 5.551249526790848 (0.00403619% change) linmin: converged after 5 iterations. iteration 35: trace = 5.551047677416069 (0.00363617% change) linmin: converged after 5 iterations. iteration 36: trace = 5.550864325188476 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189084933 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717959401 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745028214 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430583462 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903555643 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.55000442186271 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721015 (0.00203534% change) linmin: converged after 7 iterations. iteration 44: trace = 5.549785756757526 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477705529 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.54959723163614 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438068885 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431044415 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300655062 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832009439 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789728103 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393154708 (0.00107036% change) linmin: converged after 4 iterations. iteration 53: trace = 5.549131424712385 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954359294 (0.000945564% change) linmin: converged after 11 iterations. iteration 55: trace = 5.54902921463523 (0.000896364% change) linmin: converged after 4 iterations. iteration 56: trace = 5.548981603661867 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441687392 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438719772 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547255047 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214518713 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940675959 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719294887 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070260372 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460704889 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158058219 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782969059 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723992518 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403459734 (0.000456344% change) linmin: converged after 4 iterations. iteration 69: trace = 5.548522919797842 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 6 iterations. iteration 70: trace = 5.548329976785977 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222557171 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081094981 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373791001 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375773933 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473804 (6.67304e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 5.548141864891585 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837045155 (5.45741e-05% change) linmin: converged after 5 iterations. iteration 78: trace = 5.548134589430296 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746382553 (0.000105316% change) linmin: converged after 6 iterations. iteration 80: trace = 5.548123649319649 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114302 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009803089 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.548118262534494 (1.34689e-05% change) linmin: converged after 12 iterations. iteration 84: trace = 5.548117907882101 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015866 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428173 (2.20953e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 5.548117726415585 (5.42993e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588884 (1.49006e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.54811772537285 (3.89381e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334794 (6.85922e-10% change) linmin: converged after 16 iterations. iteration 92: trace = 5.548117725327052 (1.39547e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.0768752098083496 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 1.46285e-09 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 8.44008e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 1.35168e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 5.03314e-11 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + 2.74593e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.496835864744899 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225445 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117835 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069754 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757003 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677103 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585589 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660669 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650205 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421844 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594152 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052694 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% total elapsed time for run: 24.164469242095947 done /tmp/meepYM7cP9/test_get_eigenvectors-0: 24.30s /tmp/meepYM7cP9/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005038022994995117 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5609569549560547 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.4866514205932617 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.8765923976898193 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.9725062847137451 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.0482406616210938 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.6834969520568848 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 2.4145936965942383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 2.1419553756713867 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.9265732765197754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 1.9598126411437988 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 1.814249038696289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.0492990016937256 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.7598831653594971 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 1.3471479415893555 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 3.2119061946868896 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 5.3867347240448 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 29.64911413192749 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepYM7cP9/test_get_hfield-0: 29.72s /tmp/meepYM7cP9/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.06164860725402832 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 1.4495561122894287 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 1.324094533920288 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 1.188709020614624 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 1.3404672145843506 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.9330387115478516 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.7608094215393066 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.6156439781188965 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.6883611679077148 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.7527198791503906 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.8924767971038818 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.6748359203338623 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.8200697898864746 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.6947140693664551 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.919581413269043 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 1.5556161403656006 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.8570616245269775 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 15.626765727996826 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepYM7cP9/test_handle_cvector-0: 16.27s /tmp/meepYM7cP9/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.07009577751159668 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 46.67690825536697 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192827 (76.4036% change) linmin: converged after 7 iterations. iteration 3: trace = 17.90281367460767 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745359328688 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.5750362373405 (5.44878% change) linmin: converged after 6 iterations. iteration 6: trace = 14.93685931304165 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204238656 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803968889915 (4.36364% change) linmin: converged after 7 iterations. iteration 9: trace = 13.72475703230866 (2.25685% change) linmin: converged after 7 iterations. iteration 10: trace = 13.4449672083815 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.0870945783322 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444592480164 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657794573715 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678335232455 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.817127356126 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216613217043 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973444709829 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959834770915 (4.30853% change) linmin: converged after 6 iterations. iteration 19: trace = 9.946119538511061 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108830354809 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211154753766 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783602261236 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907757286732 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023298863596 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859523338256 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495027457722 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127999012116943 (5.15934% change) linmin: converged after 5 iterations. iteration 28: trace = 6.950727449789542 (2.51829% change) linmin: converged after 6 iterations. iteration 29: trace = 6.788207341134048 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378886500324 (1.85597% change) linmin: converged after 9 iterations. iteration 31: trace = 6.387397232057848 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629971505896 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265325318604 (3.89779% change) linmin: converged after 8 iterations. iteration 34: trace = 5.676181980332874 (2.93511% change) linmin: converged after 7 iterations. iteration 35: trace = 5.533824091957901 (2.53984% change) linmin: converged after 5 iterations. iteration 36: trace = 5.376187992969611 (2.88975% change) linmin: converged after 9 iterations. iteration 37: trace = 5.264316051277635 (2.10276% change) linmin: converged after 7 iterations. iteration 38: trace = 5.138003198273514 (2.42855% change) linmin: converged after 9 iterations. iteration 39: trace = 5.056109244736515 (1.60669% change) linmin: converged after 5 iterations. iteration 40: trace = 4.96640635692655 (1.79003% change) linmin: converged after 5 iterations. iteration 41: trace = 4.865793975441762 (2.04659% change) linmin: converged after 10 iterations. iteration 42: trace = 4.755591673881687 (2.29078% change) linmin: converged after 7 iterations. iteration 43: trace = 4.669631009233785 (1.82406% change) linmin: converged after 6 iterations. iteration 44: trace = 4.618919977696827 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826432308583 (1.30955% change) linmin: converged after 6 iterations. iteration 46: trace = 4.516268882119356 (0.937898% change) linmin: converged after 7 iterations. iteration 47: trace = 4.466856007911902 (1.10013% change) linmin: converged after 5 iterations. iteration 48: trace = 4.402172774800399 (1.45863% change) linmin: converged after 5 iterations. iteration 49: trace = 4.348894252901269 (1.21765% change) linmin: converged after 7 iterations. iteration 50: trace = 4.277264325113683 (1.66076% change) linmin: converged after 6 iterations. iteration 51: trace = 4.218023521151729 (1.39467% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509146446154 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094397865629504 (1.4815% change) linmin: converged after 6 iterations. iteration 54: trace = 4.000042646124126 (2.33136% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502375777396 (1.95746% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850087977642069 (1.86333% change) linmin: converged after 6 iterations. iteration 57: trace = 3.791821624777387 (1.52492% change) linmin: converged after 4 iterations. iteration 58: trace = 3.753050559196221 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648583891644 (0.893974% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349095548178 (0.763716% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517519433416 (0.702244% change) linmin: converged after 6 iterations. iteration 62: trace = 3.642774781668295 (0.622382% change) linmin: converged after 5 iterations. iteration 63: trace = 3.621632100674366 (0.58209% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354196362829 (0.478216% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974644489242 (0.427606% change) linmin: converged after 6 iterations. iteration 66: trace = 3.575630701311873 (0.372496% change) linmin: converged after 5 iterations. iteration 67: trace = 3.563562012836774 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359767065565 (0.343004% change) linmin: converged after 5 iterations. iteration 69: trace = 3.53957597962671 (0.332362% change) resetting CG direction... large trace change predicted (2.94866%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405003635064 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606294579976 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178665740302 (0.938448% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511280245435 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395715525537 (0.576125% change) linmin: converged after 8 iterations. iteration 75: trace = 3.303101951303574 (0.160138% change) linmin: converged after 5 iterations. iteration 76: trace = 3.295500074315358 (0.230409% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073495842476 (0.225609% change) linmin: converged after 5 iterations. iteration 78: trace = 3.281432446120908 (0.202178% change) linmin: converged after 8 iterations. iteration 79: trace = 3.268340887157027 (0.399756% change) linmin: converged after 4 iterations. iteration 80: trace = 3.26333711864942 (0.153215% change) large trace change predicted (0.729754%) linmin: converged after 6 iterations. iteration 81: trace = 3.239916634185125 (0.72027% change) linmin: converged after 5 iterations. iteration 82: trace = 3.220325582509675 (0.606511% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541199516161 (0.678761% change) linmin: converged after 6 iterations. iteration 84: trace = 3.177521855519817 (0.65932% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689262575439 (0.594443% change) linmin: converged after 6 iterations. iteration 86: trace = 3.124351495816897 (1.09303% change) linmin: converged after 5 iterations. iteration 87: trace = 3.115938027466064 (0.26965% change) large trace change predicted (0.805529%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192367895892 (0.79733% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081043061865528 (0.32887% change) linmin: converged after 7 iterations. iteration 90: trace = 3.068577947245625 (0.405395% change) linmin: converged after 4 iterations. iteration 91: trace = 3.058935671134534 (0.314721% change) linmin: converged after 5 iterations. iteration 92: trace = 3.051808416393726 (0.23327% change) linmin: converged after 5 iterations. iteration 93: trace = 3.039400857003012 (0.407392% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435735111632 (0.0976037% change) large trace change predicted (0.289199%) linmin: converged after 5 iterations. iteration 95: trace = 3.027689303568482 (0.288465% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436184437964 (0.0744448% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123331503703 (0.10956% change) linmin: converged after 8 iterations. iteration 98: trace = 3.01955768263848 (0.0849316% change) linmin: converged after 8 iterations. iteration 99: trace = 3.017617428696139 (0.0642769% change) large trace change predicted (0.199214%) linmin: converged after 6 iterations. iteration 100: trace = 3.01170284730482 (0.196194% change) linmin: converged after 6 iterations. iteration 101: trace = 3.008822240665896 (0.0956929% change) large trace change predicted (0.494578%) linmin: converged after 8 iterations. iteration 102: trace = 2.993101172329537 (0.523868% change) large trace change predicted (2.76671%) linmin: converged after 11 iterations. iteration 103: trace = 2.971608131661818 (0.720674% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426372018933 (0.174528% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962577335962634 (0.129838% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663814503978 (0.0983925% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957614268408919 (0.0692733% change) linmin: converged after 6 iterations. iteration 108: trace = 2.956028315577791 (0.0536371% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446828534768 (0.0535147% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952645123350557 (0.0610014% change) linmin: converged after 3 iterations. iteration 111: trace = 2.950800747639175 (0.0624847% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162679603889 (0.0555281% change) linmin: converged after 6 iterations. iteration 113: trace = 2.947680769585623 (0.0502611% change) linmin: converged after 4 iterations. iteration 114: trace = 2.946174316059846 (0.0511195% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944665989901709 (0.0512092% change) linmin: converged after 11 iterations. iteration 116: trace = 2.94338718010785 (0.0434374% change) linmin: converged after 4 iterations. iteration 117: trace = 2.942363134458385 (0.0347975% change) linmin: converged after 5 iterations. iteration 118: trace = 2.941372527586286 (0.0336727% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940247056151807 (0.0382708% change) linmin: converged after 5 iterations. iteration 120: trace = 2.939086120553895 (0.0394921% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938049396688806 (0.0352799% change) linmin: converged after 8 iterations. iteration 122: trace = 2.937030122878281 (0.0346982% change) linmin: converged after 5 iterations. iteration 123: trace = 2.935785576218478 (0.0423833% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934267173084133 (0.0517339% change) linmin: converged after 5 iterations. iteration 125: trace = 2.932754060489035 (0.0515803% change) linmin: converged after 5 iterations. iteration 126: trace = 2.931393532103366 (0.0464016% change) linmin: converged after 6 iterations. iteration 127: trace = 2.930046495063065 (0.0459627% change) linmin: converged after 7 iterations. iteration 128: trace = 2.928605619303829 (0.049188% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927187007466751 (0.0484516% change) linmin: converged after 4 iterations. iteration 130: trace = 2.925926675436992 (0.0430654% change) linmin: converged after 5 iterations. iteration 131: trace = 2.924738662474098 (0.0406112% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387895027909 (0.0461949% change) linmin: converged after 5 iterations. iteration 133: trace = 2.921695653224211 (0.0579031% change) linmin: converged after 6 iterations. iteration 134: trace = 2.919768542575914 (0.0659804% change) linmin: converged after 5 iterations. iteration 135: trace = 2.917897153309016 (0.0641143% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91618011679791 (0.0588623% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914508467988806 (0.0573397% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912776681955193 (0.0594371% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911011678101686 (0.0606136% change) resetting CG direction... large trace change predicted (0.793652%) linmin: converged after 4 iterations. iteration 140: trace = 2.888448142915038 (0.778125% change) large trace change predicted (2.41105%) linmin: converged after 6 iterations. iteration 141: trace = 2.824398529445118 (2.2423% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788320471782379 (1.28558% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760127495906069 (1.01625% change) linmin: converged after 3 iterations. iteration 144: trace = 2.74730282532291 (0.465722% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742809408693551 (0.163691% change) linmin: converged after 5 iterations. iteration 146: trace = 2.736560058301035 (0.228105% change) linmin: converged after 5 iterations. iteration 147: trace = 2.734950336139924 (0.0588401% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082786847843 (0.104903% change) linmin: converged after 4 iterations. iteration 149: trace = 2.731340381039817 (0.0271773% change) large trace change predicted (0.0664551%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522755863807 (0.0665692% change) linmin: converged after 4 iterations. iteration 151: trace = 2.728915130841332 (0.0222637% change) linmin: converged after 5 iterations. iteration 152: trace = 2.727938729485695 (0.0357862% change) linmin: converged after 3 iterations. iteration 153: trace = 2.727649653611959 (0.0105974% change) large trace change predicted (0.0314754%) linmin: converged after 7 iterations. iteration 154: trace = 2.72679207296228 (0.0314452% change) linmin: converged after 4 iterations. iteration 155: trace = 2.72641448325213 (0.0138484% change) large trace change predicted (0.0747233%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395947852308 (0.0740637% change) linmin: converged after 5 iterations. iteration 157: trace = 2.723688292409418 (0.0259781% change) linmin: converged after 6 iterations. iteration 158: trace = 2.722564803544207 (0.0412573% change) linmin: converged after 5 iterations. iteration 159: trace = 2.721743271194884 (0.0301795% change) linmin: converged after 8 iterations. iteration 160: trace = 2.720173035563441 (0.0577089% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719127715449163 (0.0384358% change) large trace change predicted (0.105615%) linmin: converged after 5 iterations. iteration 162: trace = 2.716259971523434 (0.105521% change) linmin: converged after 8 iterations. iteration 163: trace = 2.715293174461638 (0.0355993% change) large trace change predicted (0.139376%) linmin: converged after 5 iterations. iteration 164: trace = 2.711485804408327 (0.140318% change) linmin: converged after 6 iterations. iteration 165: trace = 2.71054890721527 (0.0345589% change) large trace change predicted (0.0881075%) linmin: converged after 4 iterations. iteration 166: trace = 2.70814144600202 (0.0888577% change) linmin: converged after 5 iterations. iteration 167: trace = 2.707016516787054 (0.0415474% change) linmin: converged after 4 iterations. iteration 168: trace = 2.705086929583155 (0.0713064% change) linmin: converged after 4 iterations. iteration 169: trace = 2.70424874894955 (0.0309902% change) linmin: converged after 5 iterations. iteration 170: trace = 2.702867000300367 (0.0511085% change) linmin: converged after 7 iterations. iteration 171: trace = 2.70231459664786 (0.0204398% change) large trace change predicted (0.0431715%) linmin: converged after 7 iterations. iteration 172: trace = 2.701149069533886 (0.04314% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717618968319 (0.0159741% change) linmin: converged after 4 iterations. iteration 174: trace = 2.699927033421598 (0.0292775% change) linmin: converged after 7 iterations. iteration 175: trace = 2.699504650342186 (0.0156455% change) linmin: converged after 5 iterations. iteration 176: trace = 2.698895629440849 (0.022563% change) linmin: converged after 9 iterations. iteration 177: trace = 2.698452371038478 (0.016425% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697994046170131 (0.0169862% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465372341332 (0.019597% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665720695167 (0.029649% change) linmin: converged after 6 iterations. iteration 181: trace = 2.696203232256923 (0.0171519% change) large trace change predicted (0.0346661%) linmin: converged after 6 iterations. iteration 182: trace = 2.69526764984018 (0.034706% change) linmin: converged after 6 iterations. iteration 183: trace = 2.694439472067331 (0.0307318% change) large trace change predicted (0.0623143%) linmin: converged after 4 iterations. iteration 184: trace = 2.692754916969655 (0.0625392% change) linmin: converged after 9 iterations. iteration 185: trace = 2.690742262506675 (0.0747713% change) linmin: converged after 8 iterations. iteration 186: trace = 2.687554655300269 (0.118536% change) linmin: converged after 7 iterations. iteration 187: trace = 2.685786652788846 (0.0658064% change) large trace change predicted (0.272371%) linmin: converged after 5 iterations. iteration 188: trace = 2.678470801265393 (0.272763% change) linmin: converged after 11 iterations. iteration 189: trace = 2.675876930557866 (0.0968884% change) large trace change predicted (0.339216%) linmin: converged after 4 iterations. iteration 190: trace = 2.666751007989556 (0.341627% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662939772318645 (0.143019% change) linmin: converged after 8 iterations. iteration 192: trace = 2.6570957936969 (0.219697% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653505191516707 (0.135224% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648512567672112 (0.188329% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319307470468 (0.120641% change) linmin: converged after 8 iterations. iteration 196: trace = 2.643041243277609 (0.0861539% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639075345586344 (0.150163% change) linmin: converged after 8 iterations. iteration 198: trace = 2.637975794917315 (0.0416729% change) large trace change predicted (0.120109%) linmin: converged after 4 iterations. iteration 199: trace = 2.6347848756454 (0.121034% change) linmin: converged after 7 iterations. iteration 200: trace = 2.633990400174567 (0.0301579% change) large trace change predicted (0.084429%) linmin: converged after 3 iterations. iteration 201: trace = 2.631748367470405 (0.0851555% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630651395570984 (0.0416909% change) large trace change predicted (0.0973802%) linmin: converged after 4 iterations. iteration 203: trace = 2.628069802659518 (0.0981833% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626791948770913 (0.0486351% change) large trace change predicted (0.143408%) linmin: converged after 3 iterations. iteration 205: trace = 2.622972464462565 (0.145511% change) linmin: converged after 4 iterations. iteration 206: trace = 2.62137931476261 (0.0607568% change) large trace change predicted (0.233938%) linmin: converged after 5 iterations. iteration 207: trace = 2.615108862906026 (0.239491% change) linmin: converged after 7 iterations. iteration 208: trace = 2.612606963425868 (0.0957167% change) large trace change predicted (0.27492%) linmin: converged after 5 iterations. iteration 209: trace = 2.605255134281273 (0.281795% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602477223703874 (0.106684% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598216037768704 (0.16387% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595396138286241 (0.108591% change) linmin: converged after 5 iterations. iteration 213: trace = 2.59369065669353 (0.0657334% change) large trace change predicted (0.153546%) linmin: converged after 3 iterations. iteration 214: trace = 2.589709627658045 (0.153607% change) linmin: converged after 6 iterations. iteration 215: trace = 2.588679155914417 (0.0397989% change) large trace change predicted (0.210583%) linmin: converged after 6 iterations. iteration 216: trace = 2.583223312963154 (0.21098% change) linmin: converged after 4 iterations. iteration 217: trace = 2.581702254311597 (0.0588995% change) large trace change predicted (0.132821%) linmin: converged after 6 iterations. iteration 218: trace = 2.578270197927912 (0.133026% change) linmin: converged after 6 iterations. iteration 219: trace = 2.575888725703486 (0.0924097% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572954614756323 (0.113972% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568436887211891 (0.175739% change) linmin: converged after 6 iterations. iteration 222: trace = 2.565754156116316 (0.104505% change) large trace change predicted (0.26702%) linmin: converged after 3 iterations. iteration 223: trace = 2.558855227493864 (0.269247% change) linmin: converged after 8 iterations. iteration 224: trace = 2.555875149165833 (0.116529% change) large trace change predicted (0.377693%) linmin: converged after 4 iterations. iteration 225: trace = 2.546133802956017 (0.381863% change) linmin: converged after 5 iterations. iteration 226: trace = 2.542348545364042 (0.148777% change) large trace change predicted (0.354923%) linmin: converged after 3 iterations. iteration 227: trace = 2.533247909681618 (0.358604% change) linmin: converged after 5 iterations. iteration 228: trace = 2.52944056399868 (0.150408% change) large trace change predicted (0.345371%) linmin: converged after 3 iterations. iteration 229: trace = 2.5206305991173 (0.348905% change) linmin: converged after 4 iterations. iteration 230: trace = 2.51816967107793 (0.0976791% change) large trace change predicted (0.267835%) linmin: converged after 4 iterations. iteration 231: trace = 2.511377270666094 (0.2701% change) linmin: converged after 4 iterations. iteration 232: trace = 2.510074196505032 (0.0519003% change) large trace change predicted (0.139196%) linmin: converged after 3 iterations. iteration 233: trace = 2.506567748091834 (0.139793% change) linmin: converged after 7 iterations. iteration 234: trace = 2.505717279703183 (0.0339354% change) large trace change predicted (0.0884214%) linmin: converged after 5 iterations. iteration 235: trace = 2.503500799797439 (0.088496% change) linmin: converged after 4 iterations. iteration 236: trace = 2.502216521291701 (0.0513125% change) large trace change predicted (0.11452%) linmin: converged after 3 iterations. iteration 237: trace = 2.499340672985017 (0.114998% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498350428140531 (0.0396281% change) large trace change predicted (0.14564%) linmin: converged after 3 iterations. iteration 239: trace = 2.494686987932495 (0.146742% change) linmin: converged after 4 iterations. iteration 240: trace = 2.493228520164578 (0.0584801% change) large trace change predicted (0.142697%) linmin: converged after 3 iterations. iteration 241: trace = 2.48964347618776 (0.143895% change) linmin: converged after 3 iterations. iteration 242: trace = 2.486028881270396 (0.145291% change) linmin: converged after 3 iterations. iteration 243: trace = 2.483368318122671 (0.107078% change) linmin: converged after 3 iterations. iteration 244: trace = 2.478518622861437 (0.195478% change) linmin: converged after 5 iterations. iteration 245: trace = 2.477026426789863 (0.0602233% change) large trace change predicted (0.245988%) linmin: converged after 3 iterations. iteration 246: trace = 2.470896088255247 (0.247794% change) linmin: converged after 4 iterations. iteration 247: trace = 2.468300210724617 (0.105113% change) linmin: converged after 3 iterations. iteration 248: trace = 2.463583629401084 (0.191269% change) linmin: converged after 3 iterations. iteration 249: trace = 2.46067683243128 (0.11806% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458729894015705 (0.0791534% change) large trace change predicted (0.169588%) linmin: converged after 3 iterations. iteration 251: trace = 2.454521056562851 (0.171326% change) linmin: converged after 4 iterations. iteration 252: trace = 2.453319030919832 (0.0489839% change) large trace change predicted (0.15002%) linmin: converged after 3 iterations. iteration 253: trace = 2.4495997395669 (0.151717% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448825957669639 (0.0315931% change) linmin: converged after 3 iterations. iteration 255: trace = 2.447788558849253 (0.0423721% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447349126315899 (0.0179538% change) linmin: converged after 6 iterations. iteration 257: trace = 2.447071686602103 (0.011337% change) linmin: converged after 4 iterations. iteration 258: trace = 2.446596832689071 (0.0194069% change) linmin: converged after 4 iterations. iteration 259: trace = 2.446430562393578 (0.00679621% change) large trace change predicted (0.0307962%) linmin: converged after 10 iterations. iteration 260: trace = 2.44567687847763 (0.0308122% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445325345094278 (0.0143747% change) large trace change predicted (0.05492%) linmin: converged after 3 iterations. iteration 262: trace = 2.443979770037124 (0.0550416% change) linmin: converged after 4 iterations. iteration 263: trace = 2.44305638584285 (0.0377891% change) large trace change predicted (0.0904362%) linmin: converged after 3 iterations. iteration 264: trace = 2.440833015266923 (0.0910492% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439858189144393 (0.0399462% change) large trace change predicted (0.140562%) linmin: converged after 3 iterations. iteration 266: trace = 2.436397975130141 (0.141921% change) linmin: converged after 6 iterations. iteration 267: trace = 2.435157895183555 (0.050911% change) large trace change predicted (0.127522%) linmin: converged after 3 iterations. iteration 268: trace = 2.43202617245744 (0.128687% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430969550997157 (0.0434556% change) large trace change predicted (0.0887546%) linmin: converged after 3 iterations. iteration 270: trace = 2.42880157882767 (0.0892212% change) linmin: converged after 7 iterations. iteration 271: trace = 2.428201456661499 (0.0247116% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427427734478417 (0.0318691% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427198897357013 (0.00942759% change) large trace change predicted (0.0225412%) linmin: converged after 3 iterations. iteration 274: trace = 2.426651296846774 (0.0225636% change) linmin: converged after 4 iterations. iteration 275: trace = 2.426515350666962 (0.00560237% change) large trace change predicted (0.0150731%) linmin: converged after 3 iterations. iteration 276: trace = 2.426149299236999 (0.0150866% change) linmin: converged after 7 iterations. iteration 277: trace = 2.42604334861077 (0.00436712% change) large trace change predicted (0.0121257%) linmin: converged after 3 iterations. iteration 278: trace = 2.42574907504963 (0.0121305% change) linmin: converged after 11 iterations. iteration 279: trace = 2.425615310147062 (0.00551453% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.425506385924794 (0.00449068% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425431464711454 (0.00308894% change) large trace change predicted (0.00816072%) linmin: converged after 5 iterations. iteration 282: trace = 2.425233494215989 (0.00816261% change) linmin: converged after 4 iterations. iteration 283: trace = 2.425191051463706 (0.00175006% change) large trace change predicted (0.0109637%) linmin: converged after 3 iterations. iteration 284: trace = 2.424924955529138 (0.0109728% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424747887601169 (0.00730226% change) linmin: converged after 3 iterations. iteration 286: trace = 2.424478501035183 (0.0111105% change) linmin: converged after 3 iterations. iteration 287: trace = 2.423971458328519 (0.0209157% change) linmin: converged after 6 iterations. iteration 288: trace = 2.423717030054782 (0.0104969% change) large trace change predicted (0.0317176%) linmin: converged after 3 iterations. iteration 289: trace = 2.422947586453366 (0.0317515% change) linmin: converged after 4 iterations. iteration 290: trace = 2.42228556016201 (0.0273269% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421904687749536 (0.0157249% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421236419701018 (0.0275965% change) linmin: converged after 4 iterations. iteration 293: trace = 2.421045726669086 (0.00787616% change) linmin: converged after 5 iterations. iteration 294: trace = 2.420813235710075 (0.00960338% change) linmin: converged after 4 iterations. iteration 295: trace = 2.420558403607004 (0.0105273% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420470766247239 (0.00362061% change) linmin: converged after 3 iterations. iteration 297: trace = 2.42030742835497 (0.00674841% change) linmin: converged after 6 iterations. iteration 298: trace = 2.42008914399855 (0.00901928% change) linmin: converged after 6 iterations. iteration 299: trace = 2.420013355724126 (0.00313168% change) large trace change predicted (0.00903628%) linmin: converged after 6 iterations. iteration 300: trace = 2.419794874537123 (0.00902851% change) linmin: converged after 8 iterations. iteration 301: trace = 2.419694818831106 (0.00413497% change) linmin: converged after 7 iterations. iteration 302: trace = 2.419595457686937 (0.00410643% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419455515478322 (0.00578387% change) linmin: converged after 6 iterations. iteration 304: trace = 2.419425425092193 (0.00124369% change) large trace change predicted (0.00714945%) linmin: converged after 5 iterations. iteration 305: trace = 2.419252495095128 (0.00714782% change) linmin: converged after 5 iterations. iteration 306: trace = 2.419197261242302 (0.00228312% change) large trace change predicted (0.0104159%) linmin: converged after 4 iterations. iteration 307: trace = 2.418945219040458 (0.010419% change) linmin: converged after 7 iterations. iteration 308: trace = 2.418764931361188 (0.00745343% change) linmin: converged after 3 iterations. iteration 309: trace = 2.418452005249057 (0.0129383% change) linmin: converged after 4 iterations. iteration 310: trace = 2.417885841262164 (0.0234129% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417564430046233 (0.013294% change) large trace change predicted (0.0344346%) linmin: converged after 5 iterations. iteration 312: trace = 2.416733917171363 (0.0343592% change) linmin: converged after 4 iterations. iteration 313: trace = 2.41653411035595 (0.00826798% change) linmin: converged after 4 iterations. iteration 314: trace = 2.416251600401907 (0.0116914% change) linmin: converged after 4 iterations. iteration 315: trace = 2.416151342024927 (0.00414942% change) linmin: converged after 5 iterations. iteration 316: trace = 2.416062835272836 (0.0036632% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415963394951248 (0.00411589% change) linmin: converged after 5 iterations. iteration 318: trace = 2.415935483954964 (0.00115528% change) large trace change predicted (0.00393661%) linmin: converged after 6 iterations. iteration 319: trace = 2.41584036978655 (0.00393703% change) linmin: converged after 5 iterations. iteration 320: trace = 2.415814169939886 (0.00108451% change) large trace change predicted (0.00285898%) linmin: converged after 5 iterations. iteration 321: trace = 2.415745111655867 (0.00285863% change) linmin: converged after 6 iterations. iteration 322: trace = 2.415683359006886 (0.00255629% change) linmin: converged after 6 iterations. iteration 323: trace = 2.415622097442928 (0.00253603% change) large trace change predicted (0.00647219%) linmin: converged after 4 iterations. iteration 324: trace = 2.415465758960213 (0.00647219% change) linmin: converged after 6 iterations. iteration 325: trace = 2.415417059785462 (0.00201616% change) large trace change predicted (0.00964655%) linmin: converged after 4 iterations. iteration 326: trace = 2.415184059580815 (0.00964684% change) linmin: converged after 4 iterations. iteration 327: trace = 2.415110017744065 (0.00306573% change) large trace change predicted (0.00819718%) linmin: converged after 5 iterations. iteration 328: trace = 2.414912074075603 (0.00819639% change) linmin: converged after 5 iterations. iteration 329: trace = 2.414818246002999 (0.00388544% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414735367126567 (0.00343215% change) linmin: converged after 3 iterations. iteration 331: trace = 2.414621792742087 (0.0047035% change) linmin: converged after 3 iterations. iteration 332: trace = 2.414550424412506 (0.00295572% change) linmin: converged after 6 iterations. iteration 333: trace = 2.414495109706231 (0.00229092% change) linmin: converged after 5 iterations. iteration 334: trace = 2.414423377558997 (0.00297094% change) linmin: converged after 3 iterations. iteration 335: trace = 2.414384691070278 (0.00160232% change) linmin: converged after 5 iterations. iteration 336: trace = 2.414341000176852 (0.00180962% change) linmin: converged after 5 iterations. iteration 337: trace = 2.41430055230594 (0.00167533% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414274317536414 (0.00108665% change) linmin: converged after 4 iterations. iteration 339: trace = 2.41425507287523 (0.000797123% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414236649452086 (0.000763113% change) linmin: converged after 6 iterations. iteration 341: trace = 2.414224726454799 (0.000493863% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414202726807066 (0.000911255% change) linmin: converged after 5 iterations. iteration 343: trace = 2.414178937106441 (0.000985411% change) linmin: converged after 5 iterations. iteration 344: trace = 2.414149798616576 (0.00120698% change) large trace change predicted (0.00299082%) linmin: converged after 6 iterations. iteration 345: trace = 2.41407759654868 (0.00299083% change) linmin: converged after 5 iterations. iteration 346: trace = 2.414004119437057 (0.00304374% change) large trace change predicted (0.00977882%) linmin: converged after 3 iterations. iteration 347: trace = 2.413767806995419 (0.00978971% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413687330364036 (0.00333412% change) large trace change predicted (0.0093437%) linmin: converged after 4 iterations. iteration 349: trace = 2.413461511077041 (0.00935622% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.413386434649297 (0.00311078% change) linmin: converged after 4 iterations. iteration 351: trace = 2.413305808082804 (0.00334086% change) linmin: converged after 4 iterations. iteration 352: trace = 2.4132488100235 (0.00236185% change) linmin: converged after 3 iterations. iteration 353: trace = 2.413211046121611 (0.00156487% change) linmin: converged after 5 iterations. iteration 354: trace = 2.413173536575557 (0.00155435% change) linmin: converged after 5 iterations. iteration 355: trace = 2.413167248421996 (0.000260576% change) large trace change predicted (0.000848795%) linmin: converged after 6 iterations. iteration 356: trace = 2.41314676709324 (0.000848736% change) linmin: converged after 5 iterations. iteration 357: trace = 2.413131917825763 (0.000615351% change) linmin: converged after 5 iterations. iteration 358: trace = 2.413123573766763 (0.000345778% change) large trace change predicted (0.000779705%) linmin: converged after 3 iterations. iteration 359: trace = 2.413104759268773 (0.000779677% change) linmin: converged after 4 iterations. iteration 360: trace = 2.413096158627766 (0.000356415% change) large trace change predicted (0.00114948%) linmin: converged after 4 iterations. iteration 361: trace = 2.413068415289525 (0.00114971% change) linmin: converged after 4 iterations. iteration 362: trace = 2.413062298339944 (0.000253493% change) large trace change predicted (0.000788004%) linmin: converged after 3 iterations. iteration 363: trace = 2.413043281903275 (0.000788066% change) linmin: converged after 6 iterations. iteration 364: trace = 2.413030650567991 (0.000523462% change) linmin: converged after 5 iterations. iteration 365: trace = 2.413016332836997 (0.000593352% change) large trace change predicted (0.00154277%) linmin: converged after 3 iterations. iteration 366: trace = 2.412979106526986 (0.00154274% change) linmin: converged after 16 iterations. iteration 367: trace = 2.41296256945816 (0.000685341% change) large trace change predicted (0.00259056%) linmin: converged after 4 iterations. iteration 368: trace = 2.412900063137797 (0.00259047% change) linmin: converged after 6 iterations. iteration 369: trace = 2.412862555151076 (0.00155449% change) large trace change predicted (0.00379101%) linmin: converged after 5 iterations. iteration 370: trace = 2.412771119267362 (0.00378959% change) linmin: converged after 6 iterations. iteration 371: trace = 2.412695634740488 (0.00312859% change) linmin: converged after 4 iterations. iteration 372: trace = 2.41264341456597 (0.00216441% change) linmin: converged after 5 iterations. iteration 373: trace = 2.412564555075086 (0.00326865% change) linmin: converged after 5 iterations. iteration 374: trace = 2.412538035336315 (0.00109924% change) large trace change predicted (0.00243144%) linmin: converged after 6 iterations. iteration 375: trace = 2.412479376231941 (0.00243146% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412467342269555 (0.000498823% change) large trace change predicted (0.00103276%) linmin: converged after 6 iterations. iteration 377: trace = 2.412442424999895 (0.00103286% change) linmin: converged after 6 iterations. iteration 378: trace = 2.412431726272443 (0.000443482% change) linmin: converged after 5 iterations. iteration 379: trace = 2.412421034374853 (0.000443201% change) linmin: converged after 6 iterations. iteration 380: trace = 2.412401544746259 (0.00080789% change) linmin: converged after 5 iterations. iteration 381: trace = 2.412392782882931 (0.000363202% change) large trace change predicted (0.00196816%) linmin: converged after 3 iterations. iteration 382: trace = 2.412345286815266 (0.00196886% change) linmin: converged after 5 iterations. iteration 383: trace = 2.412321399839644 (0.000990202% change) large trace change predicted (0.00315659%) linmin: converged after 4 iterations. iteration 384: trace = 2.412245236804718 (0.0031573% change) linmin: converged after 5 iterations. iteration 385: trace = 2.412195786171072 (0.00205% change) linmin: converged after 5 iterations. iteration 386: trace = 2.412141590352857 (0.00224677% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412062577249244 (0.00327569% change) linmin: converged after 5 iterations. iteration 388: trace = 2.412032968311365 (0.00122754% change) large trace change predicted (0.0068887%) linmin: converged after 5 iterations. iteration 389: trace = 2.411866774488818 (0.00689043% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411792401185717 (0.00308369% change) linmin: converged after 5 iterations. iteration 391: trace = 2.41167694189856 (0.0047874% change) linmin: converged after 6 iterations. iteration 392: trace = 2.411554708220565 (0.00506854% change) linmin: converged after 5 iterations. iteration 393: trace = 2.411513927622201 (0.00169106% change) large trace change predicted (0.00349877%) linmin: converged after 4 iterations. iteration 394: trace = 2.411429523232661 (0.00350012% change) linmin: converged after 5 iterations. iteration 395: trace = 2.411388532957937 (0.00169985% change) linmin: converged after 5 iterations. iteration 396: trace = 2.411346315754386 (0.00175076% change) linmin: converged after 3 iterations. iteration 397: trace = 2.411304516312421 (0.00173346% change) linmin: converged after 7 iterations. iteration 398: trace = 2.411286660605563 (0.000740503% change) large trace change predicted (0.00153433%) linmin: converged after 5 iterations. iteration 399: trace = 2.41124965539844 (0.00153468% change) linmin: converged after 5 iterations. iteration 400: trace = 2.411230610479458 (0.000789839% change) linmin: converged after 5 iterations. iteration 401: trace = 2.411196244364239 (0.00142526% change) large trace change predicted (0.00292356%) linmin: converged after 5 iterations. iteration 402: trace = 2.411125719503228 (0.00292493% change) linmin: converged after 5 iterations. iteration 403: trace = 2.411078229031088 (0.00196966% change) large trace change predicted (0.00746489%) linmin: converged after 5 iterations. iteration 404: trace = 2.410898129574305 (0.00746994% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410842941701281 (0.00228913% change) large trace change predicted (0.00770571%) linmin: converged after 6 iterations. iteration 406: trace = 2.410657065888799 (0.00771029% change) linmin: converged after 4 iterations. iteration 407: trace = 2.410502926941938 (0.00639427% change) linmin: converged after 4 iterations. iteration 408: trace = 2.410427868635873 (0.00311385% change) large trace change predicted (0.00706503%) linmin: converged after 8 iterations. iteration 409: trace = 2.410257521902843 (0.00706732% change) linmin: converged after 8 iterations. iteration 410: trace = 2.410221980438839 (0.0014746% change) linmin: converged after 5 iterations. iteration 411: trace = 2.410151957792329 (0.00290528% change) linmin: converged after 4 iterations. iteration 412: trace = 2.410104979853131 (0.00194919% change) linmin: converged after 5 iterations. iteration 413: trace = 2.410074948488489 (0.00124607% change) linmin: converged after 4 iterations. iteration 414: trace = 2.410017691600833 (0.00237576% change) linmin: converged after 8 iterations. iteration 415: trace = 2.409984969371745 (0.00135777% change) linmin: converged after 3 iterations. iteration 416: trace = 2.409921987043194 (0.00261343% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409861004380872 (0.00253051% change) linmin: converged after 6 iterations. iteration 418: trace = 2.409831187072331 (0.00123731% change) large trace change predicted (0.00427331%) linmin: converged after 4 iterations. iteration 419: trace = 2.409728146658982 (0.00427593% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.40970147888435 (0.00110668% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409687210926401 (0.000592107% change) large trace change predicted (0.00193327%) linmin: converged after 5 iterations. iteration 422: trace = 2.409640631368262 (0.00193303% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409618934783449 (0.000900412% change) large trace change predicted (0.00398567%) linmin: converged after 3 iterations. iteration 424: trace = 2.409522903805374 (0.0039854% change) linmin: converged after 5 iterations. iteration 425: trace = 2.409482308024622 (0.00168482% change) linmin: converged after 4 iterations. iteration 426: trace = 2.409425250025307 (0.00236809% change) linmin: converged after 3 iterations. iteration 427: trace = 2.409376627490277 (0.00201803% change) linmin: converged after 5 iterations. iteration 428: trace = 2.409360314604824 (0.000677061% change) large trace change predicted (0.00221129%) linmin: converged after 5 iterations. iteration 429: trace = 2.40930702749114 (0.0022117% change) linmin: converged after 8 iterations. iteration 430: trace = 2.409249243709464 (0.00239839% change) linmin: converged after 5 iterations. iteration 431: trace = 2.409195201311559 (0.00224315% change) large trace change predicted (0.00480342%) linmin: converged after 5 iterations. iteration 432: trace = 2.409079436407521 (0.00480524% change) linmin: converged after 6 iterations. iteration 433: trace = 2.409036739092051 (0.00177237% change) large trace change predicted (0.00461077%) linmin: converged after 4 iterations. iteration 434: trace = 2.408925674196643 (0.00461045% change) linmin: converged after 4 iterations. iteration 435: trace = 2.408849660402271 (0.00315556% change) linmin: converged after 5 iterations. iteration 436: trace = 2.408785112227291 (0.00267966% change) linmin: converged after 4 iterations. iteration 437: trace = 2.408671901645651 (0.00470001% change) linmin: converged after 3 iterations. iteration 438: trace = 2.408652271204432 (0.000814994% change) large trace change predicted (0.00262957%) linmin: converged after 4 iterations. iteration 439: trace = 2.408588955931056 (0.00262869% change) linmin: converged after 8 iterations. iteration 440: trace = 2.408573834653069 (0.000627808% change) linmin: converged after 4 iterations. iteration 441: trace = 2.408544638048476 (0.0012122% change) linmin: converged after 2 iterations. iteration 442: trace = 2.408524791908381 (0.000823992% change) linmin: converged after 5 iterations. iteration 443: trace = 2.40851419524881 (0.000439966% change) large trace change predicted (0.00138376%) linmin: converged after 4 iterations. iteration 444: trace = 2.40848086631135 (0.00138381% change) linmin: converged after 5 iterations. iteration 445: trace = 2.408461387106721 (0.000808779% change) large trace change predicted (0.00184068%) linmin: converged after 5 iterations. iteration 446: trace = 2.408417050970341 (0.00184087% change) linmin: converged after 3 iterations. iteration 447: trace = 2.408370527606705 (0.00193172% change) linmin: converged after 4 iterations. iteration 448: trace = 2.408336804660302 (0.00140025% change) linmin: converged after 5 iterations. iteration 449: trace = 2.408284611550768 (0.00216721% change) linmin: converged after 5 iterations. iteration 450: trace = 2.408253436532293 (0.0012945% change) linmin: converged after 3 iterations. iteration 451: trace = 2.408191162413356 (0.0025859% change) linmin: converged after 6 iterations. iteration 452: trace = 2.408133680701252 (0.00238695% change) linmin: converged after 6 iterations. iteration 453: trace = 2.408088041127709 (0.00189524% change) large trace change predicted (0.00392028%) linmin: converged after 3 iterations. iteration 454: trace = 2.407993663125156 (0.00391929% change) linmin: converged after 6 iterations. iteration 455: trace = 2.407964535303353 (0.00120964% change) large trace change predicted (0.0024464%) linmin: converged after 3 iterations. iteration 456: trace = 2.407905631451386 (0.00244624% change) linmin: converged after 6 iterations. iteration 457: trace = 2.407858509250551 (0.001957% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407844530038918 (0.000580568% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407816820607651 (0.0011508% change) linmin: converged after 6 iterations. iteration 460: trace = 2.407812512719409 (0.000178913% change) large trace change predicted (0.000483245%) linmin: converged after 13 iterations. iteration 461: trace = 2.40780087819417 (0.0004832% change) linmin: converged after 4 iterations. iteration 462: trace = 2.407794661399401 (0.000258194% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407789494891275 (0.000214575% change) large trace change predicted (0.00088323%) linmin: converged after 5 iterations. iteration 464: trace = 2.407768232546402 (0.000883069% change) linmin: converged after 5 iterations. iteration 465: trace = 2.407759494214948 (0.000362923% change) large trace change predicted (0.00211486%) linmin: converged after 4 iterations. iteration 466: trace = 2.407708592018342 (0.00211411% change) linmin: converged after 4 iterations. iteration 467: trace = 2.407675554988585 (0.00137215% change) linmin: converged after 4 iterations. iteration 468: trace = 2.407622940142824 (0.00218532% change) linmin: converged after 10 iterations. iteration 469: trace = 2.407575908380863 (0.00195347% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407555363912389 (0.00085333% change) large trace change predicted (0.00244944%) linmin: converged after 3 iterations. iteration 471: trace = 2.407496409876307 (0.00244874% change) linmin: converged after 4 iterations. iteration 472: trace = 2.407469939316644 (0.00109951% change) linmin: converged after 3 iterations. iteration 473: trace = 2.407438034055737 (0.00132527% change) linmin: converged after 5 iterations. iteration 474: trace = 2.407409185125543 (0.00119833% change) linmin: converged after 4 iterations. iteration 475: trace = 2.407401324309179 (0.000326527% change) large trace change predicted (0.000735905%) linmin: converged after 6 iterations. iteration 476: trace = 2.407383609612983 (0.000735846% change) linmin: converged after 6 iterations. iteration 477: trace = 2.407375220785283 (0.000348463% change) large trace change predicted (0.000781928%) linmin: converged after 5 iterations. iteration 478: trace = 2.407356399350062 (0.000781827% change) linmin: converged after 4 iterations. iteration 479: trace = 2.407340379218086 (0.000665468% change) linmin: converged after 7 iterations. iteration 480: trace = 2.407334955638029 (0.000225294% change) large trace change predicted (0.000888633%) linmin: converged after 3 iterations. iteration 481: trace = 2.407313564046815 (0.000888604% change) linmin: converged after 5 iterations. iteration 482: trace = 2.407309548045058 (0.000166825% change) large trace change predicted (0.000616995%) linmin: converged after 4 iterations. iteration 483: trace = 2.407294695271179 (0.000616988% change) linmin: converged after 5 iterations. iteration 484: trace = 2.407281115532553 (0.000564109% change) linmin: converged after 5 iterations. iteration 485: trace = 2.407271414250927 (0.000402998% change) large trace change predicted (0.00139438%) linmin: converged after 5 iterations. iteration 486: trace = 2.407237857736547 (0.00139397% change) linmin: converged after 6 iterations. iteration 487: trace = 2.407223779029771 (0.000584851% change) large trace change predicted (0.00416875%) linmin: converged after 6 iterations. iteration 488: trace = 2.407123526952789 (0.00416472% change) linmin: converged after 5 iterations. iteration 489: trace = 2.407026330795406 (0.00403794% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.406957269518961 (0.00286919% change) linmin: converged after 5 iterations. iteration 491: trace = 2.406870496565155 (0.00360515% change) linmin: converged after 4 iterations. iteration 492: trace = 2.406844872411499 (0.00106463% change) linmin: converged after 6 iterations. iteration 493: trace = 2.406823222726326 (0.000899509% change) linmin: converged after 4 iterations. iteration 494: trace = 2.406798510252978 (0.00102677% change) linmin: converged after 6 iterations. iteration 495: trace = 2.406792109081453 (0.000265962% change) large trace change predicted (0.000867646%) linmin: converged after 3 iterations. iteration 496: trace = 2.406771227114573 (0.00086763% change) linmin: converged after 12 iterations. iteration 497: trace = 2.406764503990177 (0.000279342% change) large trace change predicted (0.000566493%) linmin: converged after 8 iterations. iteration 498: trace = 2.40675087105694 (0.000566444% change) linmin: converged after 7 iterations. iteration 499: trace = 2.406738055778725 (0.000532474% change) linmin: converged after 7 iterations. iteration 500: trace = 2.406732425392003 (0.000233943% change) large trace change predicted (0.000756148%) linmin: converged after 5 iterations. iteration 501: trace = 2.406714229111141 (0.00075606% change) linmin: converged after 5 iterations. iteration 502: trace = 2.406705294928117 (0.00037122% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406690710234951 (0.000606004% change) linmin: converged after 5 iterations. iteration 504: trace = 2.40667063234783 (0.000834256% change) linmin: converged after 5 iterations. iteration 505: trace = 2.406661194691035 (0.000392147% change) large trace change predicted (0.00113089%) linmin: converged after 3 iterations. iteration 506: trace = 2.406633974864492 (0.00113103% change) linmin: converged after 5 iterations. iteration 507: trace = 2.406607392676347 (0.00110454% change) linmin: converged after 4 iterations. iteration 508: trace = 2.406575829183933 (0.00131154% change) linmin: converged after 3 iterations. iteration 509: trace = 2.406521134375334 (0.00227275% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406503241437983 (0.000743522% change) large trace change predicted (0.00300957%) linmin: converged after 6 iterations. iteration 511: trace = 2.406430832869664 (0.00300892% change) linmin: converged after 4 iterations. iteration 512: trace = 2.406387361342657 (0.00180649% change) linmin: converged after 5 iterations. iteration 513: trace = 2.406355518966213 (0.00132325% change) linmin: converged after 4 iterations. iteration 514: trace = 2.406329490383353 (0.00108167% change) linmin: converged after 4 iterations. iteration 515: trace = 2.406320645471696 (0.000367569% change) linmin: converged after 2 iterations. iteration 516: trace = 2.406303123871054 (0.000728152% change) linmin: converged after 6 iterations. iteration 517: trace = 2.406294411613941 (0.00036206% change) linmin: converged after 5 iterations. iteration 518: trace = 2.406286414055346 (0.00033236% change) linmin: converged after 11 iterations. iteration 519: trace = 2.406271583428192 (0.00061633% change) linmin: converged after 5 iterations. iteration 520: trace = 2.406263308925204 (0.000343873% change) large trace change predicted (0.000915081%) linmin: converged after 5 iterations. iteration 521: trace = 2.406241294679505 (0.000914877% change) linmin: converged after 5 iterations. iteration 522: trace = 2.406199173016654 (0.00175053% change) linmin: converged after 3 iterations. iteration 523: trace = 2.406173876238488 (0.00105132% change) large trace change predicted (0.00280236%) linmin: converged after 7 iterations. iteration 524: trace = 2.406106489210063 (0.00280063% change) linmin: converged after 5 iterations. iteration 525: trace = 2.406080420577878 (0.00108344% change) large trace change predicted (0.00263422%) linmin: converged after 5 iterations. iteration 526: trace = 2.406017049372287 (0.00263383% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405967533638343 (0.00205802% change) linmin: converged after 5 iterations. iteration 528: trace = 2.405935172494428 (0.00134505% change) large trace change predicted (0.00404592%) linmin: converged after 4 iterations. iteration 529: trace = 2.405837809078261 (0.00404688% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405798814768455 (0.00162083% change) large trace change predicted (0.0037066%) linmin: converged after 4 iterations. iteration 531: trace = 2.405709593420989 (0.00370866% change) linmin: converged after 4 iterations. iteration 532: trace = 2.405637557767991 (0.00299441% change) linmin: converged after 4 iterations. iteration 533: trace = 2.405602244559844 (0.00146795% change) linmin: converged after 4 iterations. iteration 534: trace = 2.405562832784966 (0.00163835% change) linmin: converged after 5 iterations. iteration 535: trace = 2.405546493173059 (0.000679245% change) linmin: converged after 5 iterations. iteration 536: trace = 2.405520748706309 (0.00107022% change) linmin: converged after 5 iterations. iteration 537: trace = 2.405500717412782 (0.000832725% change) linmin: converged after 5 iterations. iteration 538: trace = 2.405482124851071 (0.000772922% change) large trace change predicted (0.00184766%) linmin: converged after 4 iterations. iteration 539: trace = 2.405437681000958 (0.00184762% change) linmin: converged after 3 iterations. iteration 540: trace = 2.405411721585987 (0.0010792% change) large trace change predicted (0.002842%) linmin: converged after 5 iterations. iteration 541: trace = 2.405343335641992 (0.00284304% change) linmin: converged after 4 iterations. iteration 542: trace = 2.405288066254962 (0.0022978% change) linmin: converged after 9 iterations. iteration 543: trace = 2.405179376241461 (0.0045189% change) linmin: converged after 5 iterations. iteration 544: trace = 2.40506840314169 (0.00461403% change) linmin: converged after 4 iterations. iteration 545: trace = 2.404994116800035 (0.00308879% change) large trace change predicted (0.0071561%) linmin: converged after 6 iterations. iteration 546: trace = 2.404822128907764 (0.00715154% change) linmin: converged after 5 iterations. iteration 547: trace = 2.404776201949189 (0.0019098% change) large trace change predicted (0.00526143%) linmin: converged after 6 iterations. iteration 548: trace = 2.404649739793424 (0.00525893% change) linmin: converged after 3 iterations. iteration 549: trace = 2.404583649844168 (0.00274846% change) linmin: converged after 4 iterations. iteration 550: trace = 2.404547957918711 (0.00148434% change) linmin: converged after 5 iterations. iteration 551: trace = 2.404484313629107 (0.00264686% change) linmin: converged after 5 iterations. iteration 552: trace = 2.404462353903598 (0.000913286% change) large trace change predicted (0.00413703%) linmin: converged after 3 iterations. iteration 553: trace = 2.40436296662452 (0.00413354% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404325909399927 (0.00154126% change) large trace change predicted (0.00388783%) linmin: converged after 8 iterations. iteration 555: trace = 2.40423249741102 (0.00388524% change) linmin: converged after 4 iterations. iteration 556: trace = 2.40417473359623 (0.00240262% change) linmin: converged after 3 iterations. iteration 557: trace = 2.404142752565208 (0.00133024% change) linmin: converged after 5 iterations. iteration 558: trace = 2.404110700821694 (0.0013332% change) linmin: converged after 5 iterations. iteration 559: trace = 2.404093065392066 (0.000733556% change) resetting CG direction... linmin: converged after 5 iterations. iteration 560: trace = 2.404078045332241 (0.000624772% change) linmin: converged after 6 iterations. iteration 561: trace = 2.404051180451748 (0.00111748% change) linmin: converged after 4 iterations. iteration 562: trace = 2.404018893615237 (0.00134303% change) linmin: converged after 6 iterations. iteration 563: trace = 2.403969653218171 (0.00204827% change) large trace change predicted (0.00438759%) linmin: converged after 6 iterations. iteration 564: trace = 2.403864121129502 (0.00439001% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403835397136465 (0.00119492% change) large trace change predicted (0.00422546%) linmin: converged after 5 iterations. iteration 566: trace = 2.403733753789727 (0.00422847% change) linmin: converged after 8 iterations. iteration 567: trace = 2.403698695864119 (0.00145849% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40364427619776 (0.00226402% change) linmin: converged after 5 iterations. iteration 569: trace = 2.403582611632665 (0.00256549% change) linmin: converged after 4 iterations. iteration 570: trace = 2.403546294920238 (0.00151095% change) large trace change predicted (0.00544673%) linmin: converged after 6 iterations. iteration 571: trace = 2.403415443813978 (0.00544423% change) linmin: converged after 4 iterations. iteration 572: trace = 2.403375584425909 (0.00165846% change) large trace change predicted (0.00659273%) linmin: converged after 6 iterations. iteration 573: trace = 2.403217254650844 (0.00658803% change) linmin: converged after 5 iterations. iteration 574: trace = 2.403135088102778 (0.00341908% change) linmin: converged after 5 iterations. iteration 575: trace = 2.403041163443373 (0.0039085% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402925943800047 (0.00479486% change) linmin: converged after 7 iterations. iteration 577: trace = 2.402870571242855 (0.00230441% change) linmin: converged after 5 iterations. iteration 578: trace = 2.402772579702877 (0.00407819% change) linmin: converged after 6 iterations. iteration 579: trace = 2.402745835509351 (0.00111306% change) large trace change predicted (0.00250649%) linmin: converged after 5 iterations. iteration 580: trace = 2.402685605406111 (0.00250675% change) linmin: converged after 5 iterations. iteration 581: trace = 2.402668034958073 (0.000731286% change) linmin: converged after 5 iterations. iteration 582: trace = 2.402643312077053 (0.00102898% change) linmin: converged after 7 iterations. iteration 583: trace = 2.402617495848525 (0.0010745% change) linmin: converged after 5 iterations. iteration 584: trace = 2.402604079464414 (0.000558409% change) large trace change predicted (0.00210272%) linmin: converged after 3 iterations. iteration 585: trace = 2.402553574806637 (0.0021021% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402508492774035 (0.00187644% change) linmin: converged after 5 iterations. iteration 587: trace = 2.402458890623528 (0.00206462% change) linmin: converged after 5 iterations. iteration 588: trace = 2.402380815566274 (0.00324985% change) linmin: converged after 4 iterations. iteration 589: trace = 2.402342424713478 (0.00159805% change) large trace change predicted (0.00329024%) linmin: converged after 7 iterations. iteration 590: trace = 2.402263409700965 (0.00328914% change) linmin: converged after 5 iterations. iteration 591: trace = 2.402181725210517 (0.00340037% change) linmin: converged after 4 iterations. iteration 592: trace = 2.402140386227026 (0.00172091% change) large trace change predicted (0.00421812%) linmin: converged after 3 iterations. iteration 593: trace = 2.402039121043811 (0.00421571% change) linmin: converged after 6 iterations. iteration 594: trace = 2.402007095969871 (0.00133325% change) large trace change predicted (0.00348507%) linmin: converged after 4 iterations. iteration 595: trace = 2.401923405033258 (0.00348427% change) linmin: converged after 5 iterations. iteration 596: trace = 2.401862916661954 (0.00251836% change) linmin: converged after 5 iterations. iteration 597: trace = 2.401839775280153 (0.000963481% change) linmin: converged after 4 iterations. iteration 598: trace = 2.401798732385787 (0.00170883% change) linmin: converged after 5 iterations. iteration 599: trace = 2.401782993163387 (0.000655312% change) linmin: converged after 5 iterations. iteration 600: trace = 2.40176789410113 (0.000628663% change) linmin: converged after 5 iterations. iteration 601: trace = 2.401753053913696 (0.000617888% change) linmin: converged after 5 iterations. iteration 602: trace = 2.40174815166572 (0.000204111% change) large trace change predicted (0.000544992%) linmin: converged after 6 iterations. iteration 603: trace = 2.401735065733056 (0.000544852% change) linmin: converged after 5 iterations. iteration 604: trace = 2.401720084361273 (0.000623775% change) linmin: converged after 5 iterations. iteration 605: trace = 2.401698362344814 (0.00090444% change) large trace change predicted (0.002325%) linmin: converged after 4 iterations. iteration 606: trace = 2.401642512560469 (0.00232546% change) linmin: converged after 9 iterations. iteration 607: trace = 2.401611933829751 (0.00127325% change) large trace change predicted (0.00330897%) linmin: converged after 3 iterations. iteration 608: trace = 2.401532463592184 (0.00330909% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401499119087424 (0.00138848% change) linmin: converged after 5 iterations. iteration 610: trace = 2.401447417894419 (0.00215289% change) linmin: converged after 3 iterations. iteration 611: trace = 2.401385084557824 (0.00259569% change) linmin: converged after 4 iterations. iteration 612: trace = 2.401351484970682 (0.00139919% change) linmin: converged after 3 iterations. iteration 613: trace = 2.401304668927772 (0.00194959% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401292927071097 (0.000488979% change) large trace change predicted (0.00117536%) linmin: converged after 8 iterations. iteration 615: trace = 2.401264719220454 (0.0011747% change) linmin: converged after 4 iterations. iteration 616: trace = 2.401248380437763 (0.000680426% change) linmin: converged after 3 iterations. iteration 617: trace = 2.401238787611322 (0.000399494% change) large trace change predicted (0.00124652%) linmin: converged after 4 iterations. iteration 618: trace = 2.401208858022974 (0.00124643% change) linmin: converged after 7 iterations. iteration 619: trace = 2.401201445936205 (0.000308682% change) large trace change predicted (0.000912018%) linmin: converged after 5 iterations. iteration 620: trace = 2.401179545657997 (0.000912059% change) linmin: converged after 4 iterations. iteration 621: trace = 2.401167782659738 (0.000489885% change) linmin: converged after 5 iterations. iteration 622: trace = 2.40115232401181 (0.000643799% change) linmin: converged after 7 iterations. iteration 623: trace = 2.401135431530021 (0.000703518% change) linmin: converged after 6 iterations. iteration 624: trace = 2.401127364772883 (0.000335957% change) large trace change predicted (0.00109744%) linmin: converged after 3 iterations. iteration 625: trace = 2.401101017621681 (0.00109729% change) linmin: converged after 4 iterations. iteration 626: trace = 2.40107893677681 (0.000919618% change) linmin: converged after 5 iterations. iteration 627: trace = 2.401046265969237 (0.00136068% change) large trace change predicted (0.00310902%) linmin: converged after 7 iterations. iteration 628: trace = 2.400971683592469 (0.00310629% change) linmin: converged after 6 iterations. iteration 629: trace = 2.400920445009996 (0.0021341% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.400881191161568 (0.00163496% change) linmin: converged after 4 iterations. iteration 631: trace = 2.40083258118282 (0.00202469% change) linmin: converged after 5 iterations. iteration 632: trace = 2.400775436330532 (0.00238024% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400758567069976 (0.000702661% change) linmin: converged after 7 iterations. iteration 634: trace = 2.400726208542434 (0.00134786% change) linmin: converged after 9 iterations. iteration 635: trace = 2.400719717401779 (0.000270383% change) large trace change predicted (0.000945239%) linmin: converged after 5 iterations. iteration 636: trace = 2.40069702601044 (0.000945196% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400686304381208 (0.000446606% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400675961603981 (0.000430827% change) linmin: converged after 5 iterations. iteration 639: trace = 2.40065557831117 (0.000849068% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40064577320946 (0.000408435% change) large trace change predicted (0.00098766%) linmin: converged after 5 iterations. iteration 641: trace = 2.400622068888652 (0.000987419% change) linmin: converged after 6 iterations. iteration 642: trace = 2.400614665424228 (0.000308398% change) large trace change predicted (0.00091859%) linmin: converged after 5 iterations. iteration 643: trace = 2.400592618195549 (0.000918404% change) linmin: converged after 5 iterations. iteration 644: trace = 2.40057956515277 (0.000543744% change) linmin: converged after 4 iterations. iteration 645: trace = 2.400562754288886 (0.000700286% change) linmin: converged after 6 iterations. iteration 646: trace = 2.400530250256735 (0.00135403% change) linmin: converged after 5 iterations. iteration 647: trace = 2.400513378227578 (0.000702848% change) large trace change predicted (0.00289488%) linmin: converged after 3 iterations. iteration 648: trace = 2.400443876446262 (0.00289533% change) linmin: converged after 8 iterations. iteration 649: trace = 2.400425572419785 (0.00076253% change) large trace change predicted (0.00303777%) linmin: converged after 4 iterations. iteration 650: trace = 2.400352645804773 (0.00303812% change) linmin: converged after 4 iterations. iteration 651: trace = 2.400311383372737 (0.00171903% change) linmin: converged after 5 iterations. iteration 652: trace = 2.400271726383075 (0.00165217% change) linmin: converged after 4 iterations. iteration 653: trace = 2.400209603283523 (0.0025882% change) linmin: converged after 6 iterations. iteration 654: trace = 2.400193321661681 (0.000678344% change) large trace change predicted (0.00156829%) linmin: converged after 6 iterations. iteration 655: trace = 2.400155677053053 (0.00156841% change) linmin: converged after 5 iterations. iteration 656: trace = 2.400149186573974 (0.000270419% change) large trace change predicted (0.000567482%) linmin: converged after 6 iterations. iteration 657: trace = 2.400135566977637 (0.00056745% change) linmin: converged after 5 iterations. iteration 658: trace = 2.400127821202504 (0.000322723% change) linmin: converged after 4 iterations. iteration 659: trace = 2.400122253741531 (0.000231965% change) large trace change predicted (0.000844315%) linmin: converged after 4 iterations. iteration 660: trace = 2.400101985735589 (0.000844461% change) linmin: converged after 7 iterations. iteration 661: trace = 2.400093730830167 (0.00034394% change) large trace change predicted (0.00189139%) linmin: converged after 5 iterations. iteration 662: trace = 2.4000483255984 (0.00189183% change) linmin: converged after 5 iterations. iteration 663: trace = 2.400021388409706 (0.00112237% change) large trace change predicted (0.00259541%) linmin: converged after 4 iterations. iteration 664: trace = 2.399959089208699 (0.00259581% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399890620760105 (0.00285294% change) linmin: converged after 6 iterations. iteration 666: trace = 2.399858608154246 (0.00133393% change) large trace change predicted (0.00375816%) linmin: converged after 3 iterations. iteration 667: trace = 2.399768444772164 (0.0037571% change) linmin: converged after 5 iterations. iteration 668: trace = 2.399730308979426 (0.00158916% change) linmin: converged after 5 iterations. iteration 669: trace = 2.399659767508675 (0.0029396% change) linmin: converged after 5 iterations. iteration 670: trace = 2.399569108335375 (0.00377807% change) linmin: converged after 5 iterations. iteration 671: trace = 2.399539148698802 (0.00124855% change) large trace change predicted (0.00353834%) linmin: converged after 7 iterations. iteration 672: trace = 2.399454245615263 (0.00353837% change) linmin: converged after 4 iterations. iteration 673: trace = 2.399413389867977 (0.00170272% change) linmin: converged after 5 iterations. iteration 674: trace = 2.399383992729808 (0.00122519% change) linmin: converged after 6 iterations. iteration 675: trace = 2.399327126021597 (0.00237008% change) linmin: converged after 4 iterations. iteration 676: trace = 2.39931669573767 (0.000434718% change) large trace change predicted (0.0014553%) linmin: converged after 4 iterations. iteration 677: trace = 2.399281780488946 (0.00145523% change) linmin: converged after 6 iterations. iteration 678: trace = 2.399269557289851 (0.000509454% change) large trace change predicted (0.00104003%) linmin: converged after 7 iterations. iteration 679: trace = 2.399244605134143 (0.00104% change) linmin: converged after 5 iterations. iteration 680: trace = 2.399209778341632 (0.00145158% change) linmin: converged after 6 iterations. iteration 681: trace = 2.399187993198304 (0.000908017% change) large trace change predicted (0.00415945%) linmin: converged after 5 iterations. iteration 682: trace = 2.399088210314647 (0.00415911% change) linmin: converged after 5 iterations. iteration 683: trace = 2.399056221718275 (0.00133337% change) large trace change predicted (0.00596721%) linmin: converged after 3 iterations. iteration 684: trace = 2.398913104911782 (0.00596572% change) linmin: converged after 3 iterations. iteration 685: trace = 2.398850811939598 (0.00259675% change) linmin: converged after 6 iterations. iteration 686: trace = 2.39875700122225 (0.00391073% change) linmin: converged after 5 iterations. iteration 687: trace = 2.398633677363022 (0.00514129% change) linmin: converged after 11 iterations. iteration 688: trace = 2.398597001553794 (0.00152904% change) large trace change predicted (0.00529396%) linmin: converged after 7 iterations. iteration 689: trace = 2.398470057235489 (0.00529258% change) linmin: converged after 4 iterations. iteration 690: trace = 2.398437960445294 (0.00133823% change) linmin: converged after 3 iterations. iteration 691: trace = 2.398391230601388 (0.00194836% change) linmin: converged after 4 iterations. iteration 692: trace = 2.39833206436131 (0.00246694% change) linmin: converged after 5 iterations. iteration 693: trace = 2.398305795553497 (0.0010953% change) large trace change predicted (0.00229367%) linmin: converged after 5 iterations. iteration 694: trace = 2.398250809738408 (0.00229272% change) linmin: converged after 3 iterations. iteration 695: trace = 2.398206801623472 (0.00183503% change) linmin: converged after 5 iterations. iteration 696: trace = 2.398147832334272 (0.00245892% change) linmin: converged after 7 iterations. iteration 697: trace = 2.398099658302062 (0.00200882% change) linmin: converged after 6 iterations. iteration 698: trace = 2.398077434923507 (0.000926712% change) linmin: converged after 5 iterations. iteration 699: trace = 2.398055295282286 (0.000923229% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.398045005095203 (0.000429106% change) linmin: converged after 3 iterations. iteration 701: trace = 2.398031251454867 (0.000573537% change) large trace change predicted (0.00235806%) linmin: converged after 4 iterations. iteration 702: trace = 2.397974705301421 (0.00235805% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397952140548108 (0.000940997% change) large trace change predicted (0.00347249%) linmin: converged after 4 iterations. iteration 704: trace = 2.397868868267941 (0.0034727% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397836629143445 (0.0013445% change) linmin: converged after 6 iterations. iteration 706: trace = 2.397785394565341 (0.00213672% change) linmin: converged after 4 iterations. iteration 707: trace = 2.397725891231192 (0.00248163% change) linmin: converged after 8 iterations. iteration 708: trace = 2.397705434124033 (0.000853192% change) large trace change predicted (0.00267083%) linmin: converged after 5 iterations. iteration 709: trace = 2.397641391226871 (0.00267104% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397547201218146 (0.00392852% change) linmin: converged after 5 iterations. iteration 711: trace = 2.397513953342903 (0.00138676% change) large trace change predicted (0.00618255%) linmin: converged after 3 iterations. iteration 712: trace = 2.397365753453123 (0.00618159% change) linmin: converged after 5 iterations. iteration 713: trace = 2.397327041730609 (0.00161477% change) large trace change predicted (0.00361742%) linmin: converged after 4 iterations. iteration 714: trace = 2.397240334136916 (0.00361691% change) linmin: converged after 3 iterations. iteration 715: trace = 2.397143726677977 (0.00403003% change) linmin: converged after 4 iterations. iteration 716: trace = 2.39711205118414 (0.00132139% change) large trace change predicted (0.00333039%) linmin: converged after 3 iterations. iteration 717: trace = 2.39703224056156 (0.0033295% change) linmin: converged after 6 iterations. iteration 718: trace = 2.397006072532194 (0.00109169% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396973952962859 (0.00134% change) linmin: converged after 6 iterations. iteration 720: trace = 2.396952050002569 (0.00091378% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396941430042514 (0.000443062% change) large trace change predicted (0.00089795%) linmin: converged after 5 iterations. iteration 722: trace = 2.396919914532225 (0.000897628% change) linmin: converged after 5 iterations. iteration 723: trace = 2.396897661914431 (0.000928388% change) linmin: converged after 6 iterations. iteration 724: trace = 2.39686994051504 (0.00115656% change) linmin: converged after 4 iterations. iteration 725: trace = 2.396817530998328 (0.00218661% change) linmin: converged after 5 iterations. iteration 726: trace = 2.396794726927751 (0.000951436% change) large trace change predicted (0.00229541%) linmin: converged after 5 iterations. iteration 727: trace = 2.396739731301993 (0.00229458% change) linmin: converged after 12 iterations. iteration 728: trace = 2.396699912372668 (0.00166139% change) linmin: converged after 5 iterations. iteration 729: trace = 2.39665887172729 (0.0017124% change) linmin: converged after 5 iterations. iteration 730: trace = 2.396597099071831 (0.00257748% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396577201214417 (0.000830258% change) large trace change predicted (0.00294524%) linmin: converged after 6 iterations. iteration 732: trace = 2.396506669043147 (0.00294308% change) linmin: converged after 4 iterations. iteration 733: trace = 2.39645286587445 (0.00224509% change) linmin: converged after 5 iterations. iteration 734: trace = 2.396417089640879 (0.00149289% change) linmin: converged after 4 iterations. iteration 735: trace = 2.396375339372929 (0.00174221% change) linmin: converged after 4 iterations. iteration 736: trace = 2.396353827080573 (0.000897705% change) linmin: converged after 5 iterations. iteration 737: trace = 2.396332295684323 (0.000898511% change) linmin: converged after 4 iterations. iteration 738: trace = 2.396315736672283 (0.000691017% change) linmin: converged after 6 iterations. iteration 739: trace = 2.396312630559705 (0.00012962% change) large trace change predicted (0.000333809%) linmin: converged after 4 iterations. iteration 740: trace = 2.396304633084968 (0.000333741% change) linmin: converged after 11 iterations. iteration 741: trace = 2.396297636871418 (0.000291959% change) linmin: converged after 5 iterations. iteration 742: trace = 2.396293503591808 (0.000172486% change) large trace change predicted (0.000966486%) linmin: converged after 5 iterations. iteration 743: trace = 2.396270350438698 (0.000966212% change) linmin: converged after 4 iterations. iteration 744: trace = 2.39625559887979 (0.000615607% change) large trace change predicted (0.00156451%) linmin: converged after 5 iterations. iteration 745: trace = 2.396218132081826 (0.00156357% change) linmin: converged after 7 iterations. iteration 746: trace = 2.396169474875157 (0.0020306% change) linmin: converged after 5 iterations. iteration 747: trace = 2.396147015181723 (0.000937321% change) linmin: converged after 3 iterations. iteration 748: trace = 2.396112948043588 (0.00142176% change) linmin: converged after 3 iterations. iteration 749: trace = 2.396072068815776 (0.00170608% change) linmin: converged after 5 iterations. iteration 750: trace = 2.396054100642392 (0.000749904% change) linmin: converged after 7 iterations. iteration 751: trace = 2.396027193967936 (0.00112296% change) linmin: converged after 5 iterations. iteration 752: trace = 2.396019695526097 (0.000312954% change) linmin: converged after 4 iterations. iteration 753: trace = 2.396005374020965 (0.000597722% change) linmin: converged after 3 iterations. iteration 754: trace = 2.395994483785818 (0.000454517% change) linmin: converged after 4 iterations. iteration 755: trace = 2.395989219877737 (0.000219696% change) large trace change predicted (0.000528901%) linmin: converged after 7 iterations. iteration 756: trace = 2.395976548034334 (0.000528879% change) linmin: converged after 4 iterations. iteration 757: trace = 2.395965620400097 (0.000456084% change) linmin: converged after 4 iterations. iteration 758: trace = 2.395957841866318 (0.000324652% change) linmin: converged after 17 iterations. iteration 759: trace = 2.395945239267996 (0.000525996% change) linmin: converged after 7 iterations. iteration 760: trace = 2.395939241072151 (0.000250348% change) linmin: converged after 4 iterations. iteration 761: trace = 2.395929689734224 (0.000398648% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395923084939838 (0.000275668% change) linmin: converged after 3 iterations. iteration 763: trace = 2.395910336231919 (0.000532101% change) linmin: converged after 6 iterations. iteration 764: trace = 2.395893421942324 (0.000705968% change) linmin: converged after 5 iterations. iteration 765: trace = 2.395869296266789 (0.00100696% change) linmin: converged after 5 iterations. iteration 766: trace = 2.39584030701188 (0.00120998% change) linmin: converged after 5 iterations. iteration 767: trace = 2.395803582852315 (0.00153284% change) large trace change predicted (0.00586152%) linmin: converged after 7 iterations. iteration 768: trace = 2.395663429710101 (0.00585011% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395561522454289 (0.00425391% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.395446000829811 (0.00482244% change) linmin: converged after 3 iterations. iteration 771: trace = 2.395361967144426 (0.00350812% change) linmin: converged after 4 iterations. iteration 772: trace = 2.39531206531116 (0.00208329% change) linmin: converged after 6 iterations. iteration 773: trace = 2.395303117794417 (0.000373544% change) large trace change predicted (0.00108904%) linmin: converged after 5 iterations. iteration 774: trace = 2.39527703439986 (0.00108895% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395267669889619 (0.000390958% change) linmin: converged after 7 iterations. iteration 776: trace = 2.395260993343948 (0.000278739% change) linmin: converged after 18 iterations. iteration 777: trace = 2.395252458157278 (0.000356337% change) linmin: converged after 5 iterations. iteration 778: trace = 2.395248379129995 (0.000170296% change) linmin: converged after 4 iterations. iteration 779: trace = 2.395241166995908 (0.000301102% change) linmin: converged after 4 iterations. iteration 780: trace = 2.395229930896045 (0.000469102% change) linmin: converged after 6 iterations. iteration 781: trace = 2.395226872926693 (0.000127669% change) large trace change predicted (0.000483009%) linmin: converged after 5 iterations. iteration 782: trace = 2.39521530600261 (0.000482917% change) linmin: converged after 4 iterations. iteration 783: trace = 2.395209276857976 (0.000251717% change) linmin: converged after 4 iterations. iteration 784: trace = 2.395202014511145 (0.000303203% change) linmin: converged after 3 iterations. iteration 785: trace = 2.39519001973183 (0.000500785% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395183202267537 (0.000284632% change) large trace change predicted (0.000592757%) linmin: converged after 4 iterations. iteration 787: trace = 2.39516900163785 (0.000592885% change) large trace change predicted (0.00130179%) linmin: converged after 4 iterations. iteration 788: trace = 2.395137816835079 (0.001302% change) linmin: converged after 5 iterations. iteration 789: trace = 2.395126514085332 (0.000471905% change) large trace change predicted (0.00159137%) linmin: converged after 6 iterations. iteration 790: trace = 2.395088394572273 (0.00159156% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395072452947586 (0.000665599% change) linmin: converged after 5 iterations. iteration 792: trace = 2.395050389543344 (0.000921204% change) linmin: converged after 5 iterations. iteration 793: trace = 2.39502083065363 (0.00123417% change) linmin: converged after 5 iterations. iteration 794: trace = 2.395015504693964 (0.000222377% change) large trace change predicted (0.000737543%) linmin: converged after 5 iterations. iteration 795: trace = 2.394997837856636 (0.000737653% change) linmin: converged after 5 iterations. iteration 796: trace = 2.394991097299907 (0.000281444% change) linmin: converged after 7 iterations. iteration 797: trace = 2.394987425337961 (0.000153319% change) linmin: converged after 5 iterations. iteration 798: trace = 2.394981614329743 (0.000242632% change) linmin: converged after 9 iterations. iteration 799: trace = 2.394978482568882 (0.000130764% change) large trace change predicted (0.00027808%) linmin: converged after 5 iterations. iteration 800: trace = 2.394971822877183 (0.000278069% change) linmin: converged after 5 iterations. iteration 801: trace = 2.394960933439378 (0.00045468% change) linmin: converged after 5 iterations. iteration 802: trace = 2.39495345903919 (0.000312089% change) large trace change predicted (0.00109941%) linmin: converged after 9 iterations. iteration 803: trace = 2.394927131361643 (0.0010993% change) linmin: converged after 3 iterations. iteration 804: trace = 2.394916959856176 (0.000424711% change) large trace change predicted (0.000963014%) linmin: converged after 4 iterations. iteration 805: trace = 2.394893897628245 (0.00096297% change) linmin: converged after 3 iterations. iteration 806: trace = 2.394868149668156 (0.00107512% change) linmin: converged after 5 iterations. iteration 807: trace = 2.394857819206549 (0.000431359% change) large trace change predicted (0.00144494%) linmin: converged after 5 iterations. iteration 808: trace = 2.394823208703843 (0.00144521% change) linmin: converged after 5 iterations. iteration 809: trace = 2.394803583396851 (0.000819492% change) large trace change predicted (0.0022392%) linmin: converged after 3 iterations. iteration 810: trace = 2.394749946297767 (0.00223975% change) linmin: converged after 3 iterations. iteration 811: trace = 2.394727258261355 (0.000947412% change) linmin: converged after 5 iterations. iteration 812: trace = 2.39469443776746 (0.00137054% change) linmin: converged after 4 iterations. iteration 813: trace = 2.394668229468161 (0.00109444% change) linmin: converged after 8 iterations. iteration 814: trace = 2.394658589003982 (0.000402581% change) large trace change predicted (0.000913792%) linmin: converged after 4 iterations. iteration 815: trace = 2.394636705905853 (0.000913834% change) linmin: converged after 5 iterations. iteration 816: trace = 2.394632307094083 (0.000183694% change) large trace change predicted (0.000516255%) linmin: converged after 4 iterations. iteration 817: trace = 2.394619943895298 (0.000516289% change) linmin: converged after 4 iterations. iteration 818: trace = 2.39461671943049 (0.000134655% change) large trace change predicted (0.000326782%) linmin: converged after 4 iterations. iteration 819: trace = 2.394608892271069 (0.000326865% change) linmin: converged after 4 iterations. iteration 820: trace = 2.39460260303577 (0.000262642% change) large trace change predicted (0.000660226%) linmin: converged after 4 iterations. iteration 821: trace = 2.394586792377225 (0.000660264% change) linmin: converged after 5 iterations. iteration 822: trace = 2.394576647914976 (0.000423642% change) large trace change predicted (0.0013203%) linmin: converged after 4 iterations. iteration 823: trace = 2.394545024131449 (0.00132065% change) linmin: converged after 5 iterations. iteration 824: trace = 2.394529067311698 (0.000666384% change) large trace change predicted (0.0014456%) linmin: converged after 6 iterations. iteration 825: trace = 2.394494452940763 (0.00144557% change) linmin: converged after 5 iterations. iteration 826: trace = 2.394471338000631 (0.000965342% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394442762291112 (0.00119341% change) linmin: converged after 4 iterations. iteration 828: trace = 2.3944131619857 (0.00123622% change) linmin: converged after 6 iterations. iteration 829: trace = 2.394388774008185 (0.00101854% change) linmin: converged after 4 iterations. iteration 830: trace = 2.394357474389021 (0.00130722% change) linmin: converged after 9 iterations. iteration 831: trace = 2.394348803618946 (0.000362134% change) large trace change predicted (0.000955955%) linmin: converged after 6 iterations. iteration 832: trace = 2.39432591439819 (0.000955973% change) linmin: converged after 5 iterations. iteration 833: trace = 2.39432053798157 (0.000224548% change) large trace change predicted (0.00053403%) linmin: converged after 4 iterations. iteration 834: trace = 2.394307751493337 (0.000534036% change) linmin: converged after 5 iterations. iteration 835: trace = 2.394297874893897 (0.000412504% change) linmin: converged after 6 iterations. iteration 836: trace = 2.39428188357044 (0.000667894% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394272584284218 (0.000388396% change) linmin: converged after 6 iterations. iteration 838: trace = 2.39425758168261 (0.000626606% change) linmin: converged after 6 iterations. iteration 839: trace = 2.394251619057628 (0.000249039% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394247018378142 (0.000192155% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394240730996433 (0.000262604% change) linmin: converged after 5 iterations. iteration 842: trace = 2.39423740212113 (0.000139037% change) linmin: converged after 5 iterations. iteration 843: trace = 2.394233315222262 (0.000170697% change) large trace change predicted (0.000392461%) linmin: converged after 4 iterations. iteration 844: trace = 2.394223918867664 (0.000392459% change) linmin: converged after 6 iterations. iteration 845: trace = 2.394217129012838 (0.000283594% change) large trace change predicted (0.000995882%) linmin: converged after 9 iterations. iteration 846: trace = 2.394193287726607 (0.000995791% change) linmin: converged after 5 iterations. iteration 847: trace = 2.394164659397895 (0.00119575% change) linmin: converged after 5 iterations. iteration 848: trace = 2.394146477985685 (0.000759408% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394118677440451 (0.00116119% change) linmin: converged after 8 iterations. iteration 850: trace = 2.394100569723913 (0.000756345% change) linmin: converged after 7 iterations. iteration 851: trace = 2.394085040503797 (0.000648647% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394058508701435 (0.00110823% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394050704300158 (0.000325991% change) large trace change predicted (0.000906446%) linmin: converged after 4 iterations. iteration 854: trace = 2.394029009269474 (0.00090621% change) linmin: converged after 6 iterations. iteration 855: trace = 2.394010463856044 (0.000774656% change) linmin: converged after 5 iterations. iteration 856: trace = 2.393999549743469 (0.000455893% change) linmin: converged after 5 iterations. iteration 857: trace = 2.393987397629052 (0.000507609% change) linmin: converged after 5 iterations. iteration 858: trace = 2.393979059743142 (0.000348285% change) linmin: converged after 5 iterations. iteration 859: trace = 2.393969684977145 (0.000391598% change) linmin: converged after 5 iterations. iteration 860: trace = 2.393956602342794 (0.000546484% change) linmin: converged after 6 iterations. iteration 861: trace = 2.393953517956382 (0.000128841% change) large trace change predicted (0.000386561%) linmin: converged after 3 iterations. iteration 862: trace = 2.393944264918082 (0.000386518% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393939947243642 (0.000180358% change) linmin: converged after 6 iterations. iteration 864: trace = 2.393935382371547 (0.000190685% change) large trace change predicted (0.000410599%) linmin: converged after 4 iterations. iteration 865: trace = 2.393925554810664 (0.00041052% change) linmin: converged after 3 iterations. iteration 866: trace = 2.393921401819164 (0.000173481% change) large trace change predicted (0.000897989%) linmin: converged after 5 iterations. iteration 867: trace = 2.393899912625584 (0.000897661% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393883807713726 (0.00067275% change) linmin: converged after 6 iterations. iteration 869: trace = 2.393857993439342 (0.00107835% change) linmin: converged after 3 iterations. iteration 870: trace = 2.393835476789239 (0.000940605% change) linmin: converged after 5 iterations. iteration 871: trace = 2.393823449454628 (0.000502431% change) linmin: converged after 5 iterations. iteration 872: trace = 2.393808661256593 (0.000617767% change) linmin: converged after 7 iterations. iteration 873: trace = 2.39379907792828 (0.000400339% change) linmin: converged after 7 iterations. iteration 874: trace = 2.393796378856954 (0.000112753% change) large trace change predicted (0.000250074%) linmin: converged after 6 iterations. iteration 875: trace = 2.393790392806315 (0.000250065% change) linmin: converged after 5 iterations. iteration 876: trace = 2.393788677586883 (7.16529e-05% change) large trace change predicted (0.000176967%) linmin: converged after 4 iterations. iteration 877: trace = 2.393784441338881 (0.000176968% change) linmin: converged after 4 iterations. iteration 878: trace = 2.393781925185881 (0.000105112% change) linmin: converged after 3 iterations. iteration 879: trace = 2.393779396618886 (0.000105631% change) linmin: converged after 9 iterations. iteration 880: trace = 2.393775749376786 (0.000152363% change) linmin: converged after 4 iterations. iteration 881: trace = 2.393773369391051 (9.9424e-05% change) linmin: converged after 8 iterations. iteration 882: trace = 2.393771473512882 (7.92004e-05% change) linmin: converged after 5 iterations. iteration 883: trace = 2.393768005206534 (0.000144889% change) linmin: converged after 5 iterations. iteration 884: trace = 2.393766805203668 (5.01303e-05% change) large trace change predicted (0.000131512%) linmin: converged after 7 iterations. iteration 885: trace = 2.393763657446417 (0.000131498% change) linmin: converged after 4 iterations. iteration 886: trace = 2.393762139110225 (6.34288e-05% change) large trace change predicted (0.000188711%) linmin: converged after 6 iterations. iteration 887: trace = 2.393757622585064 (0.000188679% change) linmin: converged after 5 iterations. iteration 888: trace = 2.393755058787127 (0.000107104% change) large trace change predicted (0.000235285%) linmin: converged after 5 iterations. iteration 889: trace = 2.393749428029932 (0.000235227% change) large trace change predicted (0.000489323%) linmin: converged after 5 iterations. iteration 890: trace = 2.393737717294975 (0.000489223% change) linmin: converged after 10 iterations. iteration 891: trace = 2.393733905186699 (0.000159254% change) large trace change predicted (0.000441211%) linmin: converged after 5 iterations. iteration 892: trace = 2.393723346536241 (0.000441096% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393714695224546 (0.000361417% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393709086918766 (0.000234293% change) linmin: converged after 4 iterations. iteration 895: trace = 2.393700296752916 (0.00036722% change) linmin: converged after 5 iterations. iteration 896: trace = 2.393697932823406 (9.87563e-05% change) linmin: converged after 6 iterations. iteration 897: trace = 2.39369457942503 (0.000140093% change) linmin: converged after 5 iterations. iteration 898: trace = 2.393691330580075 (0.000135725% change) linmin: converged after 9 iterations. iteration 899: trace = 2.393690362010347 (4.04634e-05% change) large trace change predicted (9.00742e-05%) linmin: converged after 5 iterations. iteration 900: trace = 2.393688205903 (9.00747e-05% change) linmin: converged after 4 iterations. iteration 901: trace = 2.393687125237036 (4.51465e-05% change) linmin: converged after 6 iterations. iteration 902: trace = 2.393686390307186 (3.07028e-05% change) large trace change predicted (7.37474e-05%) linmin: converged after 5 iterations. iteration 903: trace = 2.393684624996794 (7.37486e-05% change) linmin: converged after 8 iterations. iteration 904: trace = 2.39368388729822 (3.08185e-05% change) large trace change predicted (6.48271e-05%) linmin: converged after 5 iterations. iteration 905: trace = 2.393682335492059 (6.48292e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393681053304419 (5.35655e-05% change) linmin: converged after 6 iterations. iteration 907: trace = 2.393680125376674 (3.87657e-05% change) large trace change predicted (0.000105541%) linmin: converged after 7 iterations. iteration 908: trace = 2.393677599055989 (0.000105541% change) linmin: converged after 6 iterations. iteration 909: trace = 2.393676660422464 (3.9213e-05% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.393675256822327 (5.86379e-05% change) linmin: converged after 8 iterations. iteration 911: trace = 2.39367401860537 (5.17287e-05% change) linmin: converged after 5 iterations. iteration 912: trace = 2.393672036272664 (8.28155e-05% change) linmin: converged after 4 iterations. iteration 913: trace = 2.3936712218868 (3.40225e-05% change) large trace change predicted (7.80272e-05%) linmin: converged after 13 iterations. iteration 914: trace = 2.393669354254907 (7.80238e-05% change) linmin: converged after 7 iterations. iteration 915: trace = 2.393667347968376 (8.38164e-05% change) linmin: converged after 4 iterations. iteration 916: trace = 2.393666027571924 (5.51621e-05% change) large trace change predicted (0.000176944%) linmin: converged after 3 iterations. iteration 917: trace = 2.393661792224028 (0.00017694% change) linmin: converged after 8 iterations. iteration 918: trace = 2.393659977869249 (7.57983e-05% change) large trace change predicted (0.000261705%) linmin: converged after 4 iterations. iteration 919: trace = 2.393653713153222 (0.000261722% change) large trace change predicted (0.000525329%) linmin: converged after 4 iterations. iteration 920: trace = 2.393641139173828 (0.000525306% change) linmin: converged after 5 iterations. iteration 921: trace = 2.393637173281394 (0.000165685% change) large trace change predicted (0.000587883%) linmin: converged after 2 iterations. iteration 922: trace = 2.393623101441448 (0.000587887% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393617378110959 (0.000239108% change) linmin: converged after 5 iterations. iteration 924: trace = 2.393610570184294 (0.00028442% change) linmin: converged after 2 iterations. iteration 925: trace = 2.393606976367428 (0.000150142% change) linmin: converged after 5 iterations. iteration 926: trace = 2.393604915507091 (8.60986e-05% change) linmin: converged after 5 iterations. iteration 927: trace = 2.393602662574684 (9.4123e-05% change) linmin: converged after 6 iterations. iteration 928: trace = 2.393599526707307 (0.00013101% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393598544621478 (4.10297e-05% change) large trace change predicted (0.000228181%) linmin: converged after 6 iterations. iteration 930: trace = 2.393593082408059 (0.000228201% change) linmin: converged after 4 iterations. iteration 931: trace = 2.393590793397207 (9.56308e-05% change) linmin: converged after 6 iterations. iteration 932: trace = 2.39358866122074 (8.90786e-05% change) linmin: converged after 6 iterations. iteration 933: trace = 2.393585957391196 (0.000112961% change) linmin: converged after 11 iterations. iteration 934: trace = 2.393584751895689 (5.03636e-05% change) large trace change predicted (0.000126726%) linmin: converged after 4 iterations. iteration 935: trace = 2.393581718485331 (0.000126731% change) linmin: converged after 4 iterations. iteration 936: trace = 2.393577778260109 (0.000164616% change) linmin: converged after 4 iterations. iteration 937: trace = 2.393575002518244 (0.000115966% change) large trace change predicted (0.000383097%) linmin: converged after 4 iterations. iteration 938: trace = 2.393565832420546 (0.000383114% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393561807898419 (0.000168139% change) large trace change predicted (0.000462652%) linmin: converged after 6 iterations. iteration 940: trace = 2.393550733222387 (0.000462687% change) linmin: converged after 3 iterations. iteration 941: trace = 2.393535304928824 (0.00064458% change) linmin: converged after 5 iterations. iteration 942: trace = 2.393531059929306 (0.000177353% change) large trace change predicted (0.000688658%) linmin: converged after 4 iterations. iteration 943: trace = 2.393514572929078 (0.000688817% change) linmin: converged after 7 iterations. iteration 944: trace = 2.393511712295858 (0.000119516% change) large trace change predicted (0.000310619%) linmin: converged after 7 iterations. iteration 945: trace = 2.393504277209264 (0.000310636% change) linmin: converged after 3 iterations. iteration 946: trace = 2.393499975791604 (0.000179712% change) linmin: converged after 8 iterations. iteration 947: trace = 2.393497853822178 (8.86555e-05% change) linmin: converged after 9 iterations. iteration 948: trace = 2.393493693150467 (0.000173832% change) linmin: converged after 5 iterations. iteration 949: trace = 2.393492334561417 (5.67618e-05% change) large trace change predicted (0.000187199%) linmin: converged after 5 iterations. iteration 950: trace = 2.39348785414673 (0.000187192% change) linmin: converged after 4 iterations. iteration 951: trace = 2.39348587582906 (8.26542e-05% change) large trace change predicted (0.000178629%) linmin: converged after 7 iterations. iteration 952: trace = 2.393481600247808 (0.000178634% change) linmin: converged after 5 iterations. iteration 953: trace = 2.39347692247818 (0.000195438% change) linmin: converged after 11 iterations. iteration 954: trace = 2.393473655133765 (0.00013651% change) large trace change predicted (0.000313851%) linmin: converged after 4 iterations. iteration 955: trace = 2.393466142652732 (0.000313874% change) linmin: converged after 4 iterations. iteration 956: trace = 2.393463868046369 (9.5034e-05% change) large trace change predicted (0.000418813%) linmin: converged after 8 iterations. iteration 957: trace = 2.393453843375263 (0.000418836% change) linmin: converged after 5 iterations. iteration 958: trace = 2.39344901599197 (0.000201691% change) linmin: converged after 11 iterations. iteration 959: trace = 2.393440729339197 (0.000346223% change) linmin: converged after 2 iterations. iteration 960: trace = 2.393428348372357 (0.000517289% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393422316209366 (0.000252031% change) large trace change predicted (0.000541434%) linmin: converged after 5 iterations. iteration 962: trace = 2.393409356283079 (0.000541482% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393401263835993 (0.000338114% change) linmin: converged after 5 iterations. iteration 964: trace = 2.393394561352574 (0.00028004% change) linmin: converged after 4 iterations. iteration 965: trace = 2.393386505970443 (0.000336568% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393385190822643 (5.49493e-05% change) large trace change predicted (0.000118563%) linmin: converged after 16 iterations. iteration 967: trace = 2.393382353086626 (0.000118566% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393381181893887 (4.89346e-05% change) linmin: converged after 7 iterations. iteration 969: trace = 2.3933805328801 (2.7117e-05% change) large trace change predicted (0.000181798%) linmin: converged after 8 iterations. iteration 970: trace = 2.393376181817789 (0.000181796% change) linmin: converged after 9 iterations. iteration 971: trace = 2.393373223172943 (0.000123618% change) large trace change predicted (0.000492744%) linmin: converged after 2 iterations. iteration 972: trace = 2.393361429904624 (0.000492748% change) linmin: converged after 6 iterations. iteration 973: trace = 2.393353646190783 (0.000325222% change) linmin: converged after 2 iterations. iteration 974: trace = 2.393347058955424 (0.000275231% change) large trace change predicted (0.000950491%) linmin: converged after 5 iterations. iteration 975: trace = 2.393324316201265 (0.000950253% change) linmin: converged after 5 iterations. iteration 976: trace = 2.393304861281281 (0.000812886% change) linmin: converged after 6 iterations. iteration 977: trace = 2.393285512887282 (0.000808442% change) linmin: converged after 7 iterations. iteration 978: trace = 2.393257231805932 (0.00118169% change) linmin: converged after 8 iterations. iteration 979: trace = 2.393240470480591 (0.000700359% change) resetting CG direction... linmin: converged after 6 iterations. iteration 980: trace = 2.393229675769142 (0.000451051% change) linmin: converged after 2 iterations. iteration 981: trace = 2.393213328298975 (0.000683074% change) linmin: converged after 6 iterations. iteration 982: trace = 2.393206244075379 (0.000296013% change) linmin: converged after 12 iterations. iteration 983: trace = 2.393195714076674 (0.000439996% change) linmin: converged after 4 iterations. iteration 984: trace = 2.393181283727592 (0.000602976% change) linmin: converged after 5 iterations. iteration 985: trace = 2.393178078158251 (0.000133946% change) linmin: converged after 6 iterations. iteration 986: trace = 2.393172412926989 (0.000236724% change) linmin: converged after 9 iterations. iteration 987: trace = 2.393168218120694 (0.000175282% change) linmin: converged after 5 iterations. iteration 988: trace = 2.393165802343699 (0.000100945% change) linmin: converged after 5 iterations. iteration 989: trace = 2.393163810951547 (8.32117e-05% change) linmin: converged after 8 iterations. iteration 990: trace = 2.393163372187489 (1.83341e-05% change) linmin: converged after 4 iterations. iteration 991: trace = 2.393162746304638 (2.6153e-05% change) linmin: converged after 9 iterations. iteration 992: trace = 2.393162189396757 (2.32708e-05% change) linmin: converged after 8 iterations. iteration 993: trace = 2.393161592991656 (2.49212e-05% change) large trace change predicted (7.46428e-05%) linmin: converged after 5 iterations. iteration 994: trace = 2.393159806696539 (7.46417e-05% change) linmin: converged after 6 iterations. iteration 995: trace = 2.3931591415583 (2.77933e-05% change) large trace change predicted (0.000156041%) linmin: converged after 12 iterations. iteration 996: trace = 2.393155407416231 (0.000156034% change) linmin: converged after 5 iterations. iteration 997: trace = 2.393152484432109 (0.000122139% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393150548174597 (8.09083e-05% change) large trace change predicted (0.00018734%) linmin: converged after 6 iterations. iteration 999: trace = 2.393146065288985 (0.000187322% change) linmin: converged after 12 iterations. iteration 1000: trace = 2.393144529208922 (6.41867e-05% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.393141662350265 (0.000119795% change) linmin: converged after 8 iterations. iteration 1002: trace = 2.393138838538488 (0.000117996% change) linmin: converged after 11 iterations. iteration 1003: trace = 2.393137228755537 (6.72666e-05% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.39313520329853 (8.46361e-05% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.393133207704009 (8.33883e-05% change) linmin: converged after 9 iterations. iteration 1006: trace = 2.393132610543489 (2.49531e-05% change) large trace change predicted (5.47737e-05%) linmin: converged after 3 iterations. iteration 1007: trace = 2.393131299809351 (5.47707e-05% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.393130886426975 (1.72737e-05% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.393130103895016 (3.26991e-05% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393129478933514 (2.61148e-05% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.393129195091729 (1.18607e-05% change) large trace change predicted (2.697e-05%) linmin: converged after 4 iterations. iteration 1012: trace = 2.393128549667149 (2.69699e-05% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.393127567135252 (4.10564e-05% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.393126731813706 (3.4905e-05% change) large trace change predicted (0.000102834%) linmin: converged after 4 iterations. iteration 1015: trace = 2.39312427099151 (0.000102829% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.393123346184447 (3.86443e-05% change) large trace change predicted (9.30866e-05%) linmin: converged after 4 iterations. iteration 1017: trace = 2.393121118598962 (9.30828e-05% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.39311856829342 (0.000106568% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.393117514873111 (4.40187e-05% change) large trace change predicted (0.000109838%) linmin: converged after 10 iterations. iteration 1020: trace = 2.393114886671852 (0.000109823% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.393114448232042 (1.83209e-05% change) large trace change predicted (5.39211e-05%) linmin: converged after 6 iterations. iteration 1022: trace = 2.393113157892465 (5.39189e-05% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.393112739277629 (1.74925e-05% change) linmin: converged after 10 iterations. iteration 1024: trace = 2.393112439682988 (1.2519e-05% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.393111959127437 (2.00808e-05% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.393111692572611 (1.11384e-05% change) linmin: converged after 6 iterations. iteration 1027: trace = 2.39311118731892 (2.11128e-05% change) linmin: converged after 12 iterations. iteration 1028: trace = 2.393110553335849 (2.6492e-05% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.393110302941346 (1.04631e-05% change) large trace change predicted (2.87393e-05%) linmin: converged after 4 iterations. iteration 1030: trace = 2.39310961519759 (2.87385e-05% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.393109367328365 (1.03576e-05% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.393109101909643 (1.1091e-05% change) large trace change predicted (2.41367e-05%) linmin: converged after 4 iterations. iteration 1033: trace = 2.393108524310404 (2.41359e-05% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.393108349375666 (7.30994e-06% change) large trace change predicted (4.05937e-05%) linmin: converged after 12 iterations. iteration 1035: trace = 2.393107377921311 (4.05938e-05% change) linmin: converged after 6 iterations. iteration 1036: trace = 2.393106544994858 (3.48052e-05% change) linmin: converged after 8 iterations. iteration 1037: trace = 2.393105312093327 (5.15189e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39310418081785 (4.72723e-05% change) linmin: converged after 16 iterations. iteration 1039: trace = 2.393103625918671 (2.31874e-05% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.393102818169142 (3.37532e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393102591058088 (9.49023e-06% change) linmin: converged after 5 iterations. iteration 1042: trace = 2.393102220825425 (1.54708e-05% change) linmin: converged after 10 iterations. iteration 1043: trace = 2.39310201524262 (8.59064e-06% change) linmin: converged after 7 iterations. iteration 1044: trace = 2.393101887595564 (5.33396e-06% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.393101742967519 (6.04354e-06% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.393101662070973 (3.38041e-06% change) linmin: converged after 13 iterations. iteration 1047: trace = 2.393101511426409 (6.29495e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393101376643174 (5.63216e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393101226801514 (6.2614e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.39310112836271 (4.11344e-06% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.393100994866044 (5.5784e-06% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.39310081613479 (7.46861e-06% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.393100753023583 (2.63721e-06% change) large trace change predicted (6.22506e-06%) linmin: converged after 6 iterations. iteration 1054: trace = 2.393100604051623 (6.22506e-06% change) linmin: converged after 22 iterations. iteration 1055: trace = 2.393100417964137 (7.776e-06% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.393100307822921 (4.60245e-06% change) large trace change predicted (1.56514e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393099933284774 (1.56508e-05% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.393099811867278 (5.07365e-06% change) large trace change predicted (3.74113e-05%) linmin: converged after 6 iterations. iteration 1059: trace = 2.393098916623484 (3.74094e-05% change) linmin: converged after 5 iterations. iteration 1060: trace = 2.393098356388159 (2.34105e-05% change) linmin: converged after 12 iterations. iteration 1061: trace = 2.393097485111014 (3.64079e-05% change) linmin: converged after 2 iterations. iteration 1062: trace = 2.393096449267765 (4.32846e-05% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.393096161268076 (1.20346e-05% change) large trace change predicted (3.25804e-05%) linmin: converged after 5 iterations. iteration 1064: trace = 2.393095381571845 (3.25811e-05% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.393095163875945 (9.09683e-06% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393094867597897 (1.23805e-05% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.393094554655817 (1.30769e-05% change) linmin: converged after 5 iterations. iteration 1068: trace = 2.393094384542212 (7.10852e-06% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.39309407001425 (1.31431e-05% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.393093544973669 (2.19398e-05% change) linmin: converged after 7 iterations. iteration 1071: trace = 2.3930933717581 (7.23814e-06% change) large trace change predicted (2.03637e-05%) linmin: converged after 4 iterations. iteration 1072: trace = 2.393092884426113 (2.03641e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.39309270613377 (7.45029e-06% change) linmin: converged after 8 iterations. iteration 1074: trace = 2.393092445736498 (1.08812e-05% change) linmin: converged after 5 iterations. iteration 1075: trace = 2.393092092814343 (1.47475e-05% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.393091910411958 (7.62204e-06% change) large trace change predicted (2.81377e-05%) linmin: converged after 6 iterations. iteration 1077: trace = 2.393091237038153 (2.81382e-05% change) linmin: converged after 6 iterations. iteration 1078: trace = 2.393090863867451 (1.55937e-05% change) large trace change predicted (5.92594e-05%) linmin: converged after 3 iterations. iteration 1079: trace = 2.393089445617551 (5.92644e-05% change) linmin: converged after 5 iterations. iteration 1080: trace = 2.393088601198425 (3.52857e-05% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.393087656900365 (3.94594e-05% change) linmin: converged after 2 iterations. iteration 1082: trace = 2.393086343648524 (5.48769e-05% change) linmin: converged after 7 iterations. iteration 1083: trace = 2.393085899772788 (1.85483e-05% change) large trace change predicted (6.43883e-05%) linmin: converged after 6 iterations. iteration 1084: trace = 2.393084358843782 (6.43909e-05% change) linmin: converged after 6 iterations. iteration 1085: trace = 2.393084088825352 (1.12833e-05% change) large trace change predicted (2.65218e-05%) linmin: converged after 4 iterations. iteration 1086: trace = 2.393083454134272 (2.65219e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393083083349222 (1.5494e-05% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.393082944869308 (5.78667e-06% change) large trace change predicted (1.38278e-05%) linmin: converged after 4 iterations. iteration 1089: trace = 2.393082613949314 (1.38282e-05% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393082501702558 (4.69047e-06% change) large trace change predicted (1.70856e-05%) linmin: converged after 4 iterations. iteration 1091: trace = 2.393082092816134 (1.70862e-05% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.393081911922593 (7.55902e-06% change) large trace change predicted (1.66515e-05%) linmin: converged after 5 iterations. iteration 1093: trace = 2.393081513423216 (1.66521e-05% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.393081073514513 (1.83825e-05% change) linmin: converged after 9 iterations. iteration 1095: trace = 2.393080712540959 (1.50841e-05% change) large trace change predicted (3.16772e-05%) linmin: converged after 5 iterations. iteration 1096: trace = 2.393079954486825 (3.16769e-05% change) linmin: converged after 14 iterations. iteration 1097: trace = 2.393079637526969 (1.32449e-05% change) large trace change predicted (4.80173e-05%) linmin: converged after 7 iterations. iteration 1098: trace = 2.393078488439423 (4.80171e-05% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.393078107331678 (1.59254e-05% change) large trace change predicted (4.15036e-05%) linmin: converged after 4 iterations. iteration 1100: trace = 2.393077114143851 (4.15025e-05% change) linmin: converged after 8 iterations. iteration 1101: trace = 2.393076413745305 (2.92677e-05% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.393075444196486 (4.05148e-05% change) linmin: converged after 2 iterations. iteration 1103: trace = 2.393073990404941 (6.07499e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393073504941876 (2.02862e-05% change) large trace change predicted (5.45688e-05%) linmin: converged after 5 iterations. iteration 1105: trace = 2.393072199021882 (5.45708e-05% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.393071953318385 (1.02673e-05% change) linmin: converged after 5 iterations. iteration 1107: trace = 2.393071470072697 (2.01935e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393071319652051 (6.28567e-06% change) linmin: converged after 5 iterations. iteration 1109: trace = 2.393071198125446 (5.07827e-06% change) linmin: converged after 9 iterations. iteration 1110: trace = 2.393070965954303 (9.70181e-06% change) linmin: converged after 5 iterations. iteration 1111: trace = 2.393070889654453 (3.18837e-06% change) large trace change predicted (2.22932e-05%) linmin: converged after 4 iterations. iteration 1112: trace = 2.393070356181004 (2.22924e-05% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.393069968449168 (1.62023e-05% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.393069202793356 (3.19947e-05% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.393068301127172 (3.76782e-05% change) linmin: converged after 13 iterations. iteration 1116: trace = 2.393067722048569 (2.41982e-05% change) large trace change predicted (9.19829e-05%) linmin: converged after 4 iterations. iteration 1117: trace = 2.393065520867552 (9.19816e-05% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.393064689941259 (3.47223e-05% change) large trace change predicted (9.60855e-05%) linmin: converged after 4 iterations. iteration 1119: trace = 2.393062390556415 (9.60854e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1120: trace = 2.393061907647628 (2.01795e-05% change) linmin: converged after 5 iterations. iteration 1121: trace = 2.393061048252754 (3.59119e-05% change) linmin: converged after 14 iterations. iteration 1122: trace = 2.393059872855201 (4.91169e-05% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.393059320051554 (2.31003e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393058266865268 (4.401e-05% change) linmin: converged after 3 iterations. iteration 1125: trace = 2.393057894337316 (1.5567e-05% change) linmin: converged after 12 iterations. iteration 1126: trace = 2.393057397209215 (2.07738e-05% change) linmin: converged after 9 iterations. iteration 1127: trace = 2.393056929408738 (1.95482e-05% change) linmin: converged after 8 iterations. iteration 1128: trace = 2.393056793196666 (5.69197e-06% change) linmin: converged after 7 iterations. iteration 1129: trace = 2.393056636330743 (6.55504e-06% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.393056577282556 (2.46748e-06% change) linmin: converged after 9 iterations. iteration 1131: trace = 2.393056481197897 (4.01514e-06% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.393056313970586 (6.98802e-06% change) linmin: converged after 5 iterations. iteration 1133: trace = 2.393056213978011 (4.17845e-06% change) large trace change predicted (9.53275e-06%) linmin: converged after 16 iterations. iteration 1134: trace = 2.393055985856769 (9.53263e-06% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.393055885516753 (4.19297e-06% change) large trace change predicted (1.62786e-05%) linmin: converged after 4 iterations. iteration 1136: trace = 2.393055495972824 (1.62781e-05% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.393055147975143 (1.4542e-05% change) linmin: converged after 9 iterations. iteration 1138: trace = 2.393054722299685 (1.7788e-05% change) linmin: converged after 7 iterations. iteration 1139: trace = 2.393053983487088 (3.08732e-05% change) linmin: converged after 6 iterations. iteration 1140: trace = 2.393053620070797 (1.51863e-05% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.393052957426222 (2.76903e-05% change) linmin: converged after 8 iterations. iteration 1142: trace = 2.393052809805668 (6.16871e-06% change) linmin: converged after 6 iterations. iteration 1143: trace = 2.39305254720378 (1.09735e-05% change) linmin: converged after 12 iterations. iteration 1144: trace = 2.393052428393714 (4.96479e-06% change) linmin: converged after 7 iterations. iteration 1145: trace = 2.393052292326862 (5.68591e-06% change) linmin: converged after 21 iterations. iteration 1146: trace = 2.393052178997177 (4.73578e-06% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.393052085976461 (3.88712e-06% change) linmin: converged after 15 iterations. iteration 1148: trace = 2.393051973227678 (4.71151e-06% change) linmin: converged after 18 iterations. iteration 1149: trace = 2.393051919144841 (2.25999e-06% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.393051817817489 (4.23423e-06% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.393051757785931 (2.50858e-06% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393051650474429 (4.4843e-06% change) linmin: converged after 9 iterations. iteration 1153: trace = 2.393051547210451 (4.31516e-06% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393051497212539 (2.0893e-06% change) large trace change predicted (8.09282e-06%) linmin: converged after 4 iterations. iteration 1155: trace = 2.393051303548169 (8.09278e-06% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.393051246490884 (2.38429e-06% change) large trace change predicted (1.28021e-05%) linmin: converged after 4 iterations. iteration 1157: trace = 2.393050940136558 (1.28018e-05% change) linmin: converged after 5 iterations. iteration 1158: trace = 2.393050633913529 (1.27963e-05% change) linmin: converged after 5 iterations. iteration 1159: trace = 2.393050426135584 (8.68256e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393050014770256 (1.719e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393049863877453 (6.30546e-06% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.393049672894141 (7.98075e-06% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.393049558484056 (4.78093e-06% change) linmin: converged after 10 iterations. iteration 1164: trace = 2.393049526234221 (1.34765e-06% change) large trace change predicted (2.74476e-06%) linmin: converged after 4 iterations. iteration 1165: trace = 2.393049460550655 (2.74476e-06% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393049390118983 (2.94318e-06% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.393049363325281 (1.11965e-06% change) large trace change predicted (4.35704e-06%) linmin: converged after 7 iterations. iteration 1168: trace = 2.393049259059905 (4.35701e-06% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.393049230382702 (1.19835e-06% change) large trace change predicted (3.16191e-06%) linmin: converged after 4 iterations. iteration 1170: trace = 2.393049154716225 (3.16193e-06% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.393049072669999 (3.42852e-06% change) linmin: converged after 5 iterations. iteration 1172: trace = 2.39304903426945 (1.60467e-06% change) large trace change predicted (4.05615e-06%) linmin: converged after 4 iterations. iteration 1173: trace = 2.393048937205764 (4.05607e-06% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.393048855806208 (3.4015e-06% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.393048800788928 (2.29905e-06% change) large trace change predicted (4.81272e-06%) linmin: converged after 3 iterations. iteration 1176: trace = 2.393048685618508 (4.81271e-06% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.393048647964936 (1.57346e-06% change) large trace change predicted (7.01633e-06%) linmin: converged after 7 iterations. iteration 1178: trace = 2.393048480059437 (7.01638e-06% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.393048398886548 (3.39203e-06% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.393048327179467 (2.99647e-06% change) linmin: converged after 5 iterations. iteration 1181: trace = 2.393048187641832 (5.83096e-06% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.393048155801966 (1.33052e-06% change) large trace change predicted (2.89437e-06%) linmin: converged after 4 iterations. iteration 1183: trace = 2.393048086539163 (2.89433e-06% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.393048059027911 (1.14963e-06% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.393048038484825 (8.58449e-07% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.393048023757459 (6.15423e-07% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393048016414866 (3.0683e-07% change) large trace change predicted (7.18518e-07%) linmin: converged after 5 iterations. iteration 1188: trace = 2.393047999219796 (7.18543e-07% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.393047967625424 (1.32026e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393047947561436 (8.38428e-07% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393047923667888 (9.98457e-07% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393047916988678 (2.79109e-07% change) linmin: converged after 5 iterations. iteration 1193: trace = 2.393047904038039 (5.41178e-07% change) large trace change predicted (1.17316e-06%) linmin: converged after 4 iterations. iteration 1194: trace = 2.393047875963763 (1.17316e-06% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393047864009566 (4.99539e-07% change) large trace change predicted (2.01139e-06%) linmin: converged after 4 iterations. iteration 1196: trace = 2.393047815875889 (2.0114e-06% change) linmin: converged after 9 iterations. iteration 1197: trace = 2.393047748350392 (2.82174e-06% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.393047695124176 (2.2242e-06% change) large trace change predicted (5.32856e-06%) linmin: converged after 7 iterations. iteration 1199: trace = 2.393047567611163 (5.32848e-06% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.393047498561061 (2.88545e-06% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.393047415199051 (3.48351e-06% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.393047295272089 (5.01147e-06% change) linmin: converged after 13 iterations. iteration 1203: trace = 2.393047271790389 (9.81247e-07% change) large trace change predicted (4.26972e-06%) linmin: converged after 4 iterations. iteration 1204: trace = 2.393047169613124 (4.26976e-06% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.393047101037706 (2.86561e-06% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393047070561835 (1.27352e-06% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393047014100219 (2.3594e-06% change) linmin: converged after 7 iterations. iteration 1208: trace = 2.393046964400122 (2.07685e-06% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393046922481839 (1.75167e-06% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.393046855610147 (2.79442e-06% change) linmin: converged after 10 iterations. iteration 1211: trace = 2.393046822384393 (1.38843e-06% change) linmin: converged after 12 iterations. iteration 1212: trace = 2.393046777420315 (1.87895e-06% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.3930467559094 (8.98892e-07% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.393046714283628 (1.73945e-06% change) linmin: converged after 4 iterations. iteration 1215: trace = 2.393046647159569 (2.80496e-06% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.393046618044147 (1.21667e-06% change) large trace change predicted (5.04378e-06%) linmin: converged after 4 iterations. iteration 1217: trace = 2.393046497343111 (5.04382e-06% change) linmin: converged after 7 iterations. iteration 1218: trace = 2.393046441524758 (2.33252e-06% change) large trace change predicted (6.59313e-06%) linmin: converged after 12 iterations. iteration 1219: trace = 2.393046283746031 (6.59322e-06% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393046073002106 (8.80651e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393045965161225 (4.50643e-06% change) large trace change predicted (9.36847e-06%) linmin: converged after 4 iterations. iteration 1222: trace = 2.393045740967892 (9.36853e-06% change) linmin: converged after 8 iterations. iteration 1223: trace = 2.393045694803439 (1.92911e-06% change) large trace change predicted (4.34704e-06%) linmin: converged after 4 iterations. iteration 1224: trace = 2.393045590776737 (4.34704e-06% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393045530747066 (2.50851e-06% change) linmin: converged after 7 iterations. iteration 1226: trace = 2.393045508600661 (9.25449e-07% change) large trace change predicted (2.14741e-06%) linmin: converged after 3 iterations. iteration 1227: trace = 2.393045457212558 (2.14739e-06% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.393045420472612 (1.53528e-06% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393045381572905 (1.62553e-06% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.393045325525357 (2.3421e-06% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.393045305231889 (8.48019e-07% change) large trace change predicted (2.99011e-06%) linmin: converged after 4 iterations. iteration 1232: trace = 2.393045233676639 (2.99013e-06% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.393045206440279 (1.13815e-06% change) large trace change predicted (2.46104e-06%) linmin: converged after 5 iterations. iteration 1234: trace = 2.393045147546375 (2.46104e-06% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.393045048343727 (4.14546e-06% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.393045015027994 (1.39219e-06% change) large trace change predicted (8.42607e-06%) linmin: converged after 17 iterations. iteration 1237: trace = 2.393044813384 (8.42625e-06% change) linmin: converged after 7 iterations. iteration 1238: trace = 2.393044734446117 (3.29864e-06% change) large trace change predicted (1.16298e-05%) linmin: converged after 5 iterations. iteration 1239: trace = 2.393044456127801 (1.16303e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.393044306117916 (6.26858e-06% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.393044184071984 (5.10003e-06% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.393043998039914 (7.77387e-06% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.393043955033063 (1.79716e-06% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.393043872842907 (3.43454e-06% change) linmin: converged after 9 iterations. iteration 1245: trace = 2.393043841931693 (1.29171e-06% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.393043786965595 (2.29691e-06% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.393043757389542 (1.23592e-06% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.393043734574912 (9.53373e-07% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393043710572849 (1.00299e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393043694718971 (6.62498e-07% change) large trace change predicted (2.86878e-06%) linmin: converged after 5 iterations. iteration 1251: trace = 2.393043626068016 (2.86877e-06% change) linmin: converged after 5 iterations. iteration 1252: trace = 2.39304358606922 (1.67146e-06% change) large trace change predicted (5.93772e-06%) linmin: converged after 5 iterations. iteration 1253: trace = 2.393043443977348 (5.93771e-06% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393043331829206 (4.68642e-06% change) linmin: converged after 18 iterations. iteration 1255: trace = 2.393043156272861 (7.33611e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.393042937491655 (9.14238e-06% change) linmin: converged after 5 iterations. iteration 1257: trace = 2.393042835473432 (4.26312e-06% change) linmin: converged after 4 iterations. iteration 1258: trace = 2.393042688906305 (6.12472e-06% change) linmin: converged after 9 iterations. iteration 1259: trace = 2.393042580942389 (4.51158e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393042494444168 (3.61457e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.39304237227144 (5.10533e-06% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.393042243073924 (5.39888e-06% change) linmin: converged after 16 iterations. iteration 1263: trace = 2.393042128941284 (4.76935e-06% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.393041958163209 (7.13644e-06% change) linmin: converged after 5 iterations. iteration 1265: trace = 2.393041922584542 (1.48675e-06% change) large trace change predicted (3.82482e-06%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393041831054881 (3.82482e-06% change) linmin: converged after 6 iterations. iteration 1267: trace = 2.393041791783825 (1.64105e-06% change) linmin: converged after 5 iterations. iteration 1268: trace = 2.393041778601877 (5.50845e-07% change) linmin: converged after 18 iterations. iteration 1269: trace = 2.393041760731506 (7.46764e-07% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.393041742172457 (7.75542e-07% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.393041734290477 (3.29371e-07% change) large trace change predicted (1.24361e-06%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393041704530217 (1.24362e-06% change) linmin: converged after 6 iterations. iteration 1273: trace = 2.39304169177772 (5.32899e-07% change) large trace change predicted (1.25106e-06%) linmin: converged after 4 iterations. iteration 1274: trace = 2.393041661839282 (1.25106e-06% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.393041609769208 (2.1759e-06% change) linmin: converged after 5 iterations. iteration 1276: trace = 2.393041577259654 (1.3585e-06% change) large trace change predicted (3.94594e-06%) linmin: converged after 4 iterations. iteration 1277: trace = 2.393041482832614 (3.9459e-06% change) linmin: converged after 12 iterations. iteration 1278: trace = 2.393041396969246 (3.58804e-06% change) linmin: converged after 10 iterations. iteration 1279: trace = 2.393041337007489 (2.50567e-06% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.393041261513101 (3.15475e-06% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.393041240384274 (8.82928e-07% change) linmin: converged after 5 iterations. iteration 1282: trace = 2.393041211258452 (1.2171e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393041183268687 (1.16963e-06% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.393041174510145 (3.66e-07% change) large trace change predicted (9.83093e-07%) linmin: converged after 4 iterations. iteration 1285: trace = 2.393041150984479 (9.83087e-07% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393041146117166 (2.03394e-07% change) large trace change predicted (7.89198e-07%) linmin: converged after 4 iterations. iteration 1287: trace = 2.393041127231414 (7.89195e-07% change) linmin: converged after 5 iterations. iteration 1288: trace = 2.393041118407331 (3.68739e-07% change) linmin: converged after 9 iterations. iteration 1289: trace = 2.393041107212448 (4.6781e-07% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.393041092008245 (6.35351e-07% change) linmin: converged after 4 iterations. iteration 1291: trace = 2.393041086023486 (2.5009e-07% change) large trace change predicted (7.32309e-07%) linmin: converged after 4 iterations. iteration 1292: trace = 2.393041068498797 (7.32319e-07% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.393041055230614 (5.54449e-07% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393041037293166 (7.49567e-07% change) large trace change predicted (1.5871e-06%) linmin: converged after 8 iterations. iteration 1295: trace = 2.393040999313733 (1.58708e-06% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.393040977636887 (9.05828e-07% change) large trace change predicted (1.98654e-06%) linmin: converged after 6 iterations. iteration 1297: trace = 2.393040930097839 (1.98655e-06% change) linmin: converged after 10 iterations. iteration 1298: trace = 2.39304089024491 (1.66537e-06% change) linmin: converged after 6 iterations. iteration 1299: trace = 2.39304087043698 (8.27731e-07% change) large trace change predicted (1.75246e-06%) linmin: converged after 4 iterations. iteration 1300: trace = 2.39304082850022 (1.75245e-06% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.393040823596781 (2.04904e-07% change) large trace change predicted (7.02836e-07%) linmin: converged after 4 iterations. iteration 1302: trace = 2.393040806777944 (7.02823e-07% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.393040799199992 (3.16666e-07% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.393040793588882 (2.34476e-07% change) linmin: converged after 6 iterations. iteration 1305: trace = 2.393040785610138 (3.33414e-07% change) linmin: converged after 3 iterations. iteration 1306: trace = 2.393040781529431 (1.70524e-07% change) large trace change predicted (5.7901e-07%) linmin: converged after 4 iterations. iteration 1307: trace = 2.393040767673701 (5.79001e-07% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.393040764117479 (1.48607e-07% change) large trace change predicted (4.67503e-07%) linmin: converged after 5 iterations. iteration 1309: trace = 2.393040752930362 (4.67485e-07% change) linmin: converged after 17 iterations. iteration 1310: trace = 2.393040744338404 (3.59039e-07% change) linmin: converged after 5 iterations. iteration 1311: trace = 2.393040738644882 (2.3792e-07% change) large trace change predicted (5.43118e-07%) linmin: converged after 4 iterations. iteration 1312: trace = 2.39304072564791 (5.43115e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393040720932457 (1.97049e-07% change) large trace change predicted (6.63301e-07%) linmin: converged after 9 iterations. iteration 1314: trace = 2.393040705059309 (6.63305e-07% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.393040700724848 (1.81128e-07% change) large trace change predicted (6.34246e-07%) linmin: converged after 7 iterations. iteration 1316: trace = 2.393040685546813 (6.34257e-07% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393040675332705 (4.26825e-07% change) linmin: converged after 4 iterations. iteration 1318: trace = 2.39304066151545 (5.77393e-07% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.393040642637224 (7.8888e-07% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393040635856141 (2.83367e-07% change) large trace change predicted (6.73284e-07%) linmin: converged after 4 iterations. iteration 1321: trace = 2.39304061974444 (6.73273e-07% change) linmin: converged after 5 iterations. iteration 1322: trace = 2.393040614532548 (2.17794e-07% change) linmin: converged after 4 iterations. iteration 1323: trace = 2.393040609337865 (2.17075e-07% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.39304060472102 (1.92928e-07% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.393040603294851 (5.95965e-08% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393040601248568 (8.55098e-08% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.39304059953517 (7.15992e-08% change) linmin: converged after 15 iterations. iteration 1328: trace = 2.393040597550162 (8.29492e-08% change) large trace change predicted (4.12466e-07%) linmin: converged after 4 iterations. iteration 1329: trace = 2.393040587679593 (4.1247e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393040580465429 (3.01464e-07% change) linmin: converged after 14 iterations. iteration 1331: trace = 2.393040577823084 (1.10418e-07% change) linmin: converged after 14 iterations. iteration 1332: trace = 2.393040576387055 (6.00086e-08% change) linmin: converged after 4 iterations. iteration 1333: trace = 2.393040574178111 (9.2307e-08% change) linmin: converged after 8 iterations. iteration 1334: trace = 2.393040571499711 (1.11925e-07% change) linmin: converged after 4 iterations. iteration 1335: trace = 2.393040569596532 (7.95297e-08% change) large trace change predicted (2.07021e-07%) linmin: converged after 9 iterations. iteration 1336: trace = 2.393040564642132 (2.07034e-07% change) linmin: converged after 5 iterations. iteration 1337: trace = 2.393040562209758 (1.01644e-07% change) large trace change predicted (3.27307e-07%) linmin: converged after 5 iterations. iteration 1338: trace = 2.393040554376739 (3.27325e-07% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.39304054180474 (5.25357e-07% change) linmin: converged after 5 iterations. iteration 1340: trace = 2.393040536268622 (2.31342e-07% change) large trace change predicted (8.41378e-07%) linmin: converged after 6 iterations. iteration 1341: trace = 2.393040516134218 (8.41373e-07% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393040509658384 (2.70611e-07% change) large trace change predicted (6.27711e-07%) linmin: converged after 5 iterations. iteration 1343: trace = 2.393040494636819 (6.27719e-07% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.393040483906091 (4.48414e-07% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.393040478143857 (2.40791e-07% change) linmin: converged after 4 iterations. iteration 1346: trace = 2.393040468039669 (4.22232e-07% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.39304046164321 (2.67294e-07% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393040455019982 (2.7677e-07% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.393040446387974 (3.60713e-07% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304044186389 (1.89052e-07% change) linmin: converged after 6 iterations. iteration 1351: trace = 2.393040433127564 (3.65072e-07% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.393040430405385 (1.13754e-07% change) large trace change predicted (2.37904e-07%) linmin: converged after 2 iterations. iteration 1353: trace = 2.39304042471267 (2.37886e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393040418036548 (2.78981e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393040414749368 (1.37364e-07% change) large trace change predicted (3.46598e-07%) linmin: converged after 4 iterations. iteration 1356: trace = 2.393040406455357 (3.46589e-07% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.393040402297147 (1.73763e-07% change) large trace change predicted (4.16905e-07%) linmin: converged after 4 iterations. iteration 1358: trace = 2.393040392320467 (4.16904e-07% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.393040386980613 (2.23141e-07% change) large trace change predicted (7.85649e-07%) linmin: converged after 5 iterations. iteration 1360: trace = 2.393040368179305 (7.85666e-07% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.393040352236456 (6.66217e-07% change) linmin: converged after 13 iterations. iteration 1362: trace = 2.393040327731612 (1.024e-06% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.393040306640131 (8.81368e-07% change) linmin: converged after 4 iterations. iteration 1364: trace = 2.393040292668296 (5.83853e-07% change) linmin: converged after 9 iterations. iteration 1365: trace = 2.393040273055593 (8.19573e-07% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.39304026730585 (2.40269e-07% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.393040258702672 (3.59508e-07% change) linmin: converged after 3 iterations. iteration 1368: trace = 2.393040254815388 (1.62441e-07% change) large trace change predicted (3.27987e-07%) linmin: converged after 4 iterations. iteration 1369: trace = 2.393040246966732 (3.27978e-07% change) linmin: converged after 12 iterations. iteration 1370: trace = 2.393040243101726 (1.6151e-07% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.393040235708201 (3.0896e-07% change) linmin: converged after 11 iterations. iteration 1372: trace = 2.393040230937914 (1.9934e-07% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393040224500106 (2.69022e-07% change) linmin: converged after 14 iterations. iteration 1374: trace = 2.393040220421217 (1.70448e-07% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393040215926551 (1.87822e-07% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393040210289981 (2.3554e-07% change) linmin: converged after 3 iterations. iteration 1377: trace = 2.393040207044586 (1.35618e-07% change) large trace change predicted (3.54976e-07%) linmin: converged after 4 iterations. iteration 1378: trace = 2.393040198549409 (3.54995e-07% change) linmin: converged after 5 iterations. iteration 1379: trace = 2.393040191185979 (3.07702e-07% change) linmin: converged after 10 iterations. iteration 1380: trace = 2.393040180878069 (4.30745e-07% change) linmin: converged after 4 iterations. iteration 1381: trace = 2.393040166052206 (6.19541e-07% change) linmin: converged after 5 iterations. iteration 1382: trace = 2.393040151916325 (5.90708e-07% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393040131334559 (8.60068e-07% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.393040102936467 (1.1867e-06% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.393040086361743 (6.92622e-07% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393040060741587 (1.07061e-06% change) linmin: converged after 12 iterations. iteration 1387: trace = 2.393040044306737 (6.86777e-07% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.393040035905734 (3.5106e-07% change) linmin: converged after 4 iterations. iteration 1389: trace = 2.393040029733259 (2.57934e-07% change) linmin: converged after 4 iterations. iteration 1390: trace = 2.393040024374545 (2.23929e-07% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393040019852315 (1.88974e-07% change) linmin: converged after 8 iterations. iteration 1392: trace = 2.393040015705451 (1.73289e-07% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393040013171896 (1.05872e-07% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.393040009440699 (1.55919e-07% change) linmin: converged after 5 iterations. iteration 1395: trace = 2.393040007625822 (7.58398e-08% change) large trace change predicted (3.22288e-07%) linmin: converged after 4 iterations. iteration 1396: trace = 2.393039999913313 (3.22289e-07% change) linmin: converged after 5 iterations. iteration 1397: trace = 2.393039995345873 (1.90864e-07% change) large trace change predicted (5.44068e-07%) linmin: converged after 4 iterations. iteration 1398: trace = 2.39303998232581 (5.4408e-07% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.393039973329971 (3.75917e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393039966046413 (3.04364e-07% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.393039959739344 (2.63559e-07% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.393039951297119 (3.52782e-07% change) linmin: converged after 12 iterations. iteration 1403: trace = 2.39303994944239 (7.75052e-08% change) large trace change predicted (1.97152e-07%) linmin: converged after 5 iterations. iteration 1404: trace = 2.393039944724751 (1.9714e-07% change) linmin: converged after 11 iterations. iteration 1405: trace = 2.393039941961282 (1.15479e-07% change) large trace change predicted (2.69752e-07%) linmin: converged after 4 iterations. iteration 1406: trace = 2.393039935505679 (2.69766e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393039928260118 (3.02776e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393039924873118 (1.41535e-07% change) large trace change predicted (3.03458e-07%) linmin: converged after 5 iterations. iteration 1409: trace = 2.393039917611174 (3.03461e-07% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.393039907854973 (4.07691e-07% change) linmin: converged after 4 iterations. iteration 1411: trace = 2.393039901783208 (2.53726e-07% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.39303989149737 (4.29823e-07% change) linmin: converged after 4 iterations. iteration 1413: trace = 2.393039885759657 (2.39767e-07% change) linmin: converged after 4 iterations. iteration 1414: trace = 2.393039877549211 (3.43097e-07% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.393039862599887 (6.247e-07% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.393039855733734 (2.86922e-07% change) large trace change predicted (7.28544e-07%) linmin: converged after 4 iterations. iteration 1417: trace = 2.393039838299295 (7.28548e-07% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039825994102 (5.14208e-07% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039817924723 (3.37202e-07% change) linmin: converged after 17 iterations. iteration 1420: trace = 2.393039808595072 (3.89866e-07% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393039805693648 (1.21244e-07% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.393039802246433 (1.44052e-07% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.39303979895529 (1.3753e-07% change) linmin: converged after 11 iterations. iteration 1424: trace = 2.393039798255055 (2.92613e-08% change) large trace change predicted (1.17993e-07%) linmin: converged after 3 iterations. iteration 1425: trace = 2.393039795431879 (1.17974e-07% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.393039794552078 (3.6765e-08% change) large trace change predicted (1.13789e-07%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393039791828929 (1.13795e-07% change) linmin: converged after 12 iterations. iteration 1428: trace = 2.393039788130563 (1.54547e-07% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.393039785570439 (1.06982e-07% change) large trace change predicted (3.96916e-07%) linmin: converged after 4 iterations. iteration 1430: trace = 2.393039776071572 (3.96937e-07% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.393039766972256 (3.80241e-07% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.393039760834495 (2.56484e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393039751063575 (4.08306e-07% change) linmin: converged after 5 iterations. iteration 1434: trace = 2.393039748442839 (1.09515e-07% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393039744679854 (1.57247e-07% change) linmin: converged after 4 iterations. iteration 1436: trace = 2.393039739195992 (2.29159e-07% change) linmin: converged after 5 iterations. iteration 1437: trace = 2.393039737673612 (6.3617e-08% change) large trace change predicted (1.63285e-07%) linmin: converged after 3 iterations. iteration 1438: trace = 2.393039733765839 (1.63297e-07% change) linmin: converged after 4 iterations. iteration 1439: trace = 2.393039730832399 (1.22582e-07% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.39303972807751 (1.15121e-07% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.393039726446243 (6.81672e-08% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.393039725614436 (3.47594e-08% change) linmin: converged after 3 iterations. iteration 1443: trace = 2.393039723965023 (6.89254e-08% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393039723039279 (3.86849e-08% change) linmin: converged after 19 iterations. iteration 1445: trace = 2.393039721569313 (6.14267e-08% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393039719204475 (9.88215e-08% change) linmin: converged after 18 iterations. iteration 1447: trace = 2.393039717647883 (6.50466e-08% change) large trace change predicted (1.47227e-07%) linmin: converged after 7 iterations. iteration 1448: trace = 2.393039714124905 (1.47218e-07% change) linmin: converged after 5 iterations. iteration 1449: trace = 2.393039712100749 (8.45852e-08% change) linmin: converged after 14 iterations. iteration 1450: trace = 2.393039708097894 (1.67271e-07% change) linmin: converged after 5 iterations. iteration 1451: trace = 2.393039705040056 (1.2778e-07% change) linmin: converged after 17 iterations. iteration 1452: trace = 2.393039701713394 (1.39014e-07% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.393039698511534 (1.33799e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393039696323006 (9.14539e-08% change) linmin: converged after 5 iterations. iteration 1455: trace = 2.393039694318851 (8.37493e-08% change) linmin: converged after 7 iterations. iteration 1456: trace = 2.393039693207895 (4.64245e-08% change) linmin: converged after 3 iterations. iteration 1457: trace = 2.393039692001463 (5.04142e-08% change) linmin: converged after 13 iterations. iteration 1458: trace = 2.3930396914881 (2.14523e-08% change) large trace change predicted (5.20299e-08%) linmin: converged after 4 iterations. iteration 1459: trace = 2.393039690243272 (5.20187e-08% change) linmin: converged after 7 iterations. iteration 1460: trace = 2.393039689909187 (1.39607e-08% change) large trace change predicted (4.96809e-08%) linmin: converged after 5 iterations. iteration 1461: trace = 2.393039688720449 (4.96749e-08% change) linmin: converged after 5 iterations. iteration 1462: trace = 2.393039688437892 (1.18074e-08% change) large trace change predicted (3.87266e-08%) linmin: converged after 9 iterations. iteration 1463: trace = 2.39303968751105 (3.87307e-08% change) linmin: converged after 5 iterations. iteration 1464: trace = 2.393039687181636 (1.37655e-08% change) large trace change predicted (5.81374e-08%) linmin: converged after 4 iterations. iteration 1465: trace = 2.393039685790283 (5.81416e-08% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393039684776068 (4.23819e-08% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393039683264678 (6.31578e-08% change) linmin: converged after 15 iterations. iteration 1468: trace = 2.393039682871513 (1.64295e-08% change) large trace change predicted (7.14962e-08%) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039681160638 (7.14938e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1470: trace = 2.393039680166377 (4.1548e-08% change) linmin: converged after 4 iterations. iteration 1471: trace = 2.393039679550376 (2.57414e-08% change) linmin: converged after 4 iterations. iteration 1472: trace = 2.393039678583452 (4.04057e-08% change) linmin: converged after 4 iterations. iteration 1473: trace = 2.393039677720533 (3.60596e-08% change) linmin: converged after 7 iterations. iteration 1474: trace = 2.393039676021905 (7.0982e-08% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039674815157 (5.04274e-08% change) linmin: converged after 12 iterations. iteration 1476: trace = 2.393039674327643 (2.03722e-08% change) linmin: converged after 4 iterations. iteration 1477: trace = 2.393039673442761 (3.69773e-08% change) linmin: converged after 5 iterations. iteration 1478: trace = 2.393039673065327 (1.57722e-08% change) large trace change predicted (4.16376e-08%) linmin: converged after 5 iterations. iteration 1479: trace = 2.393039672069202 (4.16259e-08% change) linmin: converged after 15 iterations. iteration 1480: trace = 2.393039671024631 (4.36504e-08% change) linmin: converged after 4 iterations. iteration 1481: trace = 2.393039670556782 (1.95504e-08% change) large trace change predicted (7.13355e-08%) linmin: converged after 4 iterations. iteration 1482: trace = 2.393039668849255 (7.13539e-08% change) linmin: converged after 4 iterations. iteration 1483: trace = 2.39303966816326 (2.86663e-08% change) large trace change predicted (1.1222e-07%) linmin: converged after 7 iterations. iteration 1484: trace = 2.393039665477931 (1.12214e-07% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393039663357443 (8.86107e-08% change) linmin: converged after 4 iterations. iteration 1486: trace = 2.393039660253508 (1.29707e-07% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393039656745905 (1.46575e-07% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393039655535391 (5.05848e-08% change) large trace change predicted (1.63161e-07%) linmin: converged after 4 iterations. iteration 1489: trace = 2.393039651630815 (1.63164e-07% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393039650422425 (5.0496e-08% change) linmin: converged after 4 iterations. iteration 1491: trace = 2.39303964816717 (9.42423e-08% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.393039647215166 (3.97822e-08% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.393039646510904 (2.94296e-08% change) linmin: converged after 5 iterations. iteration 1494: trace = 2.393039645285069 (5.1225e-08% change) linmin: converged after 12 iterations. iteration 1495: trace = 2.393039644921993 (1.51722e-08% change) large trace change predicted (6.48959e-08%) linmin: converged after 6 iterations. iteration 1496: trace = 2.393039643368809 (6.49042e-08% change) linmin: converged after 6 iterations. iteration 1497: trace = 2.393039642777997 (2.46887e-08% change) large trace change predicted (6.67852e-08%) linmin: converged after 14 iterations. iteration 1498: trace = 2.393039641180009 (6.67765e-08% change) linmin: converged after 4 iterations. iteration 1499: trace = 2.393039639338971 (7.6933e-08% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393039638168414 (4.89151e-08% change) large trace change predicted (1.15279e-07%) linmin: converged after 4 iterations. iteration 1501: trace = 2.393039635409903 (1.15272e-07% change) linmin: converged after 22 iterations. iteration 1502: trace = 2.393039634096779 (5.48726e-08% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.39303963164951 (1.02266e-07% change) linmin: converged after 4 iterations. iteration 1504: trace = 2.393039628167269 (1.45515e-07% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393039625680733 (1.03907e-07% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393039621200853 (1.87205e-07% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393039618457916 (1.14621e-07% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393039613353535 (2.13301e-07% change) linmin: converged after 5 iterations. iteration 1509: trace = 2.393039610233413 (1.30383e-07% change) linmin: converged after 6 iterations. iteration 1510: trace = 2.39303960787677 (9.84791e-08% change) linmin: converged after 3 iterations. iteration 1511: trace = 2.393039606170299 (7.13098e-08% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.39303960506194 (4.6316e-08% change) linmin: converged after 3 iterations. iteration 1513: trace = 2.393039604076756 (4.11687e-08% change) linmin: converged after 15 iterations. iteration 1514: trace = 2.393039603610784 (1.94719e-08% change) large trace change predicted (4.11258e-08%) linmin: converged after 6 iterations. iteration 1515: trace = 2.393039602626793 (4.11189e-08% change) linmin: converged after 4 iterations. iteration 1516: trace = 2.393039601960144 (2.78578e-08% change) linmin: converged after 10 iterations. iteration 1517: trace = 2.393039600735031 (5.11949e-08% change) linmin: converged after 15 iterations. iteration 1518: trace = 2.393039598961888 (7.40958e-08% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393039597182844 (7.43424e-08% change) linmin: converged after 4 iterations. iteration 1520: trace = 2.393039594250012 (1.22557e-07% change) linmin: converged after 4 iterations. iteration 1521: trace = 2.393039592350489 (7.9377e-08% change) large trace change predicted (2.98063e-07%) linmin: converged after 4 iterations. iteration 1522: trace = 2.393039585217721 (2.98063e-07% change) linmin: converged after 4 iterations. iteration 1523: trace = 2.39303958290277 (9.67369e-08% change) large trace change predicted (2.63499e-07%) linmin: converged after 4 iterations. iteration 1524: trace = 2.393039576596954 (2.63507e-07% change) linmin: converged after 10 iterations. iteration 1525: trace = 2.393039573924609 (1.11672e-07% change) linmin: converged after 5 iterations. iteration 1526: trace = 2.393039571534072 (9.98954e-08% change) linmin: converged after 4 iterations. iteration 1527: trace = 2.393039568020138 (1.4684e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393039566869273 (4.80922e-08% change) large trace change predicted (1.29764e-07%) linmin: converged after 5 iterations. iteration 1529: trace = 2.393039563763715 (1.29775e-07% change) linmin: converged after 15 iterations. iteration 1530: trace = 2.393039562685905 (4.50394e-08% change) large trace change predicted (1.04735e-07%) linmin: converged after 4 iterations. iteration 1531: trace = 2.393039560179912 (1.0472e-07% change) linmin: converged after 22 iterations. iteration 1532: trace = 2.393039559216768 (4.02477e-08% change) large trace change predicted (9.04954e-08%) linmin: converged after 8 iterations. iteration 1533: trace = 2.393039557051122 (9.04977e-08% change) linmin: converged after 15 iterations. iteration 1534: trace = 2.393039555727502 (5.53112e-08% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393039555042599 (2.86206e-08% change) large trace change predicted (6.66918e-08%) linmin: converged after 5 iterations. iteration 1536: trace = 2.393039553446658 (6.6691e-08% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393039552997829 (1.87556e-08% change) large trace change predicted (4.05058e-08%) linmin: converged after 15 iterations. iteration 1538: trace = 2.393039552028569 (4.05033e-08% change) linmin: converged after 3 iterations. iteration 1539: trace = 2.393039551435999 (2.47623e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1540: trace = 2.393039551045645 (1.6312e-08% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393039550378476 (2.78796e-08% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.393039549516678 (3.60127e-08% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393039548997058 (2.17138e-08% change) large trace change predicted (7.18249e-08%) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039547278004 (7.18356e-08% change) linmin: converged after 9 iterations. iteration 1545: trace = 2.393039546349622 (3.87951e-08% change) linmin: converged after 4 iterations. iteration 1546: trace = 2.393039544672926 (7.00655e-08% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393039543099079 (6.57677e-08% change) linmin: converged after 4 iterations. iteration 1548: trace = 2.393039542073008 (4.28773e-08% change) large trace change predicted (9.84477e-08%) linmin: converged after 5 iterations. iteration 1549: trace = 2.39303953971701 (9.84521e-08% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.39303953811054 (6.71309e-08% change) linmin: converged after 10 iterations. iteration 1551: trace = 2.39303953611149 (8.3536e-08% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393039533750612 (9.86561e-08% change) linmin: converged after 5 iterations. iteration 1553: trace = 2.393039532245778 (6.28838e-08% change) large trace change predicted (1.54698e-07%) linmin: converged after 4 iterations. iteration 1554: trace = 2.393039528544007 (1.54689e-07% change) linmin: converged after 3 iterations. iteration 1555: trace = 2.393039526941381 (6.69703e-08% change) linmin: converged after 3 iterations. iteration 1556: trace = 2.393039523805046 (1.31061e-07% change) linmin: converged after 5 iterations. iteration 1557: trace = 2.393039521291419 (1.05039e-07% change) linmin: converged after 6 iterations. iteration 1558: trace = 2.393039520186697 (4.6164e-08% change) linmin: converged after 3 iterations. iteration 1559: trace = 2.393039518274729 (7.98971e-08% change) linmin: converged after 6 iterations. iteration 1560: trace = 2.393039517758407 (2.1576e-08% change) large trace change predicted (4.57378e-08%) linmin: converged after 7 iterations. iteration 1561: trace = 2.393039516663837 (4.57397e-08% change) linmin: converged after 12 iterations. iteration 1562: trace = 2.393039516187216 (1.9917e-08% change) linmin: converged after 4 iterations. iteration 1563: trace = 2.393039515981591 (8.59262e-09% change) large trace change predicted (2.97848e-08%) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039515268685 (2.97908e-08% change) linmin: converged after 7 iterations. iteration 1565: trace = 2.39303951479569 (1.97654e-08% change) linmin: converged after 3 iterations. iteration 1566: trace = 2.3930395140593 (3.07722e-08% change) linmin: converged after 3 iterations. iteration 1567: trace = 2.393039513181621 (3.66763e-08% change) linmin: converged after 11 iterations. iteration 1568: trace = 2.393039512646754 (2.23509e-08% change) large trace change predicted (4.88222e-08%) linmin: converged after 5 iterations. iteration 1569: trace = 2.393039511478558 (4.88164e-08% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039509732215 (7.29759e-08% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393039509176642 (2.32162e-08% change) large trace change predicted (7.76329e-08%) linmin: converged after 4 iterations. iteration 1572: trace = 2.39303950731891 (7.76306e-08% change) linmin: converged after 5 iterations. iteration 1573: trace = 2.393039506243734 (4.49293e-08% change) linmin: converged after 5 iterations. iteration 1574: trace = 2.393039505347019 (3.74718e-08% change) linmin: converged after 8 iterations. iteration 1575: trace = 2.393039503784988 (6.52739e-08% change) linmin: converged after 6 iterations. iteration 1576: trace = 2.393039502734971 (4.3878e-08% change) linmin: converged after 3 iterations. iteration 1577: trace = 2.393039501388015 (5.62864e-08% change) linmin: converged after 4 iterations. iteration 1578: trace = 2.393039500304252 (4.52882e-08% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393039500081274 (9.31778e-09% change) large trace change predicted (2.11524e-08%) linmin: converged after 4 iterations. iteration 1580: trace = 2.393039499575118 (2.11512e-08% change) linmin: converged after 3 iterations. iteration 1581: trace = 2.393039499291119 (1.18677e-08% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393039499169742 (5.07205e-09% change) large trace change predicted (1.38671e-08%) linmin: converged after 3 iterations. iteration 1583: trace = 2.393039498838404 (1.38459e-08% change) linmin: converged after 5 iterations. iteration 1584: trace = 2.393039498665226 (7.23675e-09% change) large trace change predicted (2.0901e-08%) linmin: converged after 8 iterations. iteration 1585: trace = 2.393039498164887 (2.09081e-08% change) linmin: converged after 15 iterations. iteration 1586: trace = 2.393039497398028 (3.20454e-08% change) linmin: converged after 5 iterations. iteration 1587: trace = 2.393039496949947 (1.87243e-08% change) linmin: converged after 12 iterations. iteration 1588: trace = 2.393039496108023 (3.51822e-08% change) linmin: converged after 12 iterations. iteration 1589: trace = 2.393039494922017 (4.95607e-08% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.393039494217895 (2.94238e-08% change) linmin: converged after 5 iterations. iteration 1591: trace = 2.393039493122616 (4.57693e-08% change) linmin: converged after 5 iterations. iteration 1592: trace = 2.393039492864662 (1.07794e-08% change) large trace change predicted (2.54462e-08%) linmin: converged after 3 iterations. iteration 1593: trace = 2.393039492255582 (2.54521e-08% change) linmin: converged after 3 iterations. iteration 1594: trace = 2.393039491909563 (1.44594e-08% change) linmin: converged after 3 iterations. iteration 1595: trace = 2.393039491767119 (5.95242e-09% change) large trace change predicted (1.2642e-08%) linmin: converged after 6 iterations. iteration 1596: trace = 2.39303949146463 (1.26404e-08% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039491352178 (4.69914e-09% change) large trace change predicted (1.16861e-08%) linmin: converged after 3 iterations. iteration 1598: trace = 2.393039491072554 (1.16849e-08% change) linmin: converged after 3 iterations. iteration 1599: trace = 2.393039490909507 (6.81338e-09% change) linmin: converged after 3 iterations. iteration 1600: trace = 2.393039490781077 (5.36682e-09% change) large trace change predicted (1.15925e-08%) linmin: converged after 13 iterations. iteration 1601: trace = 2.393039490503157 (1.16137e-08% change) linmin: converged after 12 iterations. iteration 1602: trace = 2.393039490349005 (6.44167e-09% change) large trace change predicted (1.48413e-08%) linmin: converged after 15 iterations. iteration 1603: trace = 2.393039489993615 (1.4851e-08% change) linmin: converged after 5 iterations. iteration 1604: trace = 2.393039489802804 (7.9736e-09% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.39303948955998 (1.01471e-08% change) linmin: converged after 4 iterations. iteration 1606: trace = 2.393039489352978 (8.65019e-09% change) large trace change predicted (1.80773e-08%) linmin: converged after 4 iterations. iteration 1607: trace = 2.393039488920519 (1.80715e-08% change) large trace change predicted (5.41189e-08%) linmin: converged after 9 iterations. iteration 1608: trace = 2.393039487625458 (5.41178e-08% change) linmin: converged after 4 iterations. iteration 1609: trace = 2.393039486940449 (2.86251e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1610: trace = 2.393039486293925 (2.70169e-08% change) linmin: converged after 4 iterations. iteration 1611: trace = 2.393039485388955 (3.78167e-08% change) linmin: converged after 16 iterations. iteration 1612: trace = 2.393039484755132 (2.64861e-08% change) linmin: converged after 5 iterations. iteration 1613: trace = 2.393039484581986 (7.23542e-09% change) linmin: converged after 12 iterations. iteration 1614: trace = 2.393039484270076 (1.3034e-08% change) linmin: converged after 4 iterations. iteration 1615: trace = 2.3930394840887 (7.57933e-09% change) linmin: converged after 8 iterations. iteration 1616: trace = 2.393039483826325 (1.09641e-08% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.393039483556265 (1.12852e-08% change) linmin: converged after 4 iterations. iteration 1618: trace = 2.393039483413313 (5.97367e-09% change) linmin: converged after 4 iterations. iteration 1619: trace = 2.393039483222195 (7.98642e-09% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393039482975173 (1.03225e-08% change) linmin: converged after 3 iterations. iteration 1621: trace = 2.393039482905158 (2.92576e-09% change) large trace change predicted (1.03505e-08%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393039482657469 (1.03504e-08% change) linmin: converged after 4 iterations. iteration 1623: trace = 2.393039482463617 (8.1007e-09% change) linmin: converged after 15 iterations. iteration 1624: trace = 2.39303948231253 (6.31359e-09% change) large trace change predicted (1.79524e-08%) linmin: converged after 10 iterations. iteration 1625: trace = 2.393039481882585 (1.79665e-08% change) linmin: converged after 15 iterations. iteration 1626: trace = 2.393039481512064 (1.54833e-08% change) linmin: converged after 3 iterations. iteration 1627: trace = 2.393039481125546 (1.61518e-08% change) large trace change predicted (4.33055e-08%) linmin: converged after 11 iterations. iteration 1628: trace = 2.393039480089096 (4.3311e-08% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393039479778296 (1.29876e-08% change) large trace change predicted (4.01142e-08%) linmin: converged after 3 iterations. iteration 1630: trace = 2.393039478818425 (4.0111e-08% change) linmin: converged after 4 iterations. iteration 1631: trace = 2.393039478251282 (2.36997e-08% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393039477978005 (1.14197e-08% change) linmin: converged after 4 iterations. iteration 1633: trace = 2.393039477457784 (2.17389e-08% change) linmin: converged after 12 iterations. iteration 1634: trace = 2.393039477370332 (3.65444e-09% change) large trace change predicted (1.15765e-08%) linmin: converged after 4 iterations. iteration 1635: trace = 2.39303947709371 (1.15594e-08% change) linmin: converged after 18 iterations. iteration 1636: trace = 2.393039476968507 (5.23196e-09% change) linmin: converged after 7 iterations. iteration 1637: trace = 2.393039476828804 (5.83787e-09% change) linmin: converged after 13 iterations. iteration 1638: trace = 2.393039476564597 (1.10407e-08% change) linmin: converged after 15 iterations. iteration 1639: trace = 2.393039476411133 (6.41293e-09% change) large trace change predicted (1.87805e-08%) linmin: converged after 3 iterations. iteration 1640: trace = 2.393039475961852 (1.87745e-08% change) linmin: converged after 4 iterations. iteration 1641: trace = 2.393039475097981 (3.60993e-08% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393039474596353 (2.0962e-08% change) linmin: converged after 8 iterations. iteration 1643: trace = 2.393039473609147 (4.12532e-08% change) linmin: converged after 5 iterations. iteration 1644: trace = 2.39303947320107 (1.70527e-08% change) linmin: converged after 6 iterations. iteration 1645: trace = 2.393039472392492 (3.37887e-08% change) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039471941734 (1.88362e-08% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039471307997 (2.64825e-08% change) linmin: converged after 13 iterations. iteration 1648: trace = 2.393039470715139 (2.47743e-08% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039470151842 (2.3539e-08% change) linmin: converged after 12 iterations. iteration 1650: trace = 2.393039469530336 (2.59714e-08% change) linmin: converged after 5 iterations. iteration 1651: trace = 2.393039469337136 (8.07342e-09% change) large trace change predicted (2.03484e-08%) linmin: converged after 6 iterations. iteration 1652: trace = 2.393039468849951 (2.03584e-08% change) linmin: converged after 4 iterations. iteration 1653: trace = 2.393039468640968 (8.73295e-09% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039468430554 (8.79275e-09% change) linmin: converged after 15 iterations. iteration 1655: trace = 2.393039468148006 (1.18071e-08% change) linmin: converged after 4 iterations. iteration 1656: trace = 2.393039468004484 (5.9975e-09% change) linmin: converged after 9 iterations. iteration 1657: trace = 2.393039467735419 (1.12436e-08% change) linmin: converged after 10 iterations. iteration 1658: trace = 2.393039467579606 (6.51112e-09% change) large trace change predicted (1.33822e-08%) linmin: converged after 10 iterations. iteration 1659: trace = 2.393039467259216 (1.33884e-08% change) linmin: converged after 4 iterations. iteration 1660: trace = 2.393039466723111 (2.24027e-08% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039466303676 (1.75273e-08% change) large trace change predicted (5.62128e-08%) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039464958745 (5.62018e-08% change) linmin: converged after 5 iterations. iteration 1663: trace = 2.393039464571325 (1.61895e-08% change) large trace change predicted (4.31953e-08%) linmin: converged after 8 iterations. iteration 1664: trace = 2.393039463537659 (4.31947e-08% change) linmin: converged after 5 iterations. iteration 1665: trace = 2.393039462371855 (4.87165e-08% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.39303946193583 (1.82206e-08% change) large trace change predicted (4.27269e-08%) linmin: converged after 11 iterations. iteration 1667: trace = 2.393039460913331 (4.2728e-08% change) linmin: converged after 4 iterations. iteration 1668: trace = 2.39303946070726 (8.61129e-09% change) large trace change predicted (3.3899e-08%) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039459895986 (3.39014e-08% change) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039459494159 (1.67915e-08% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039459126877 (1.53479e-08% change) linmin: converged after 3 iterations. iteration 1672: trace = 2.393039458664493 (1.93221e-08% change) linmin: converged after 12 iterations. iteration 1673: trace = 2.393039458473856 (7.96629e-09% change) large trace change predicted (1.65994e-08%) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039458075997 (1.66257e-08% change) linmin: converged after 18 iterations. iteration 1675: trace = 2.393039457904847 (7.15202e-09% change) linmin: converged after 7 iterations. iteration 1676: trace = 2.393039457600002 (1.27388e-08% change) linmin: converged after 9 iterations. iteration 1677: trace = 2.393039457434273 (6.92547e-09% change) linmin: converged after 3 iterations. iteration 1678: trace = 2.393039457323234 (4.64007e-09% change) linmin: converged after 3 iterations. iteration 1679: trace = 2.393039457118042 (8.57455e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039457014609 (4.32224e-09% change) linmin: converged after 3 iterations. iteration 1681: trace = 2.393039456904316 (4.60889e-09% change) linmin: converged after 7 iterations. iteration 1682: trace = 2.393039456708687 (8.17493e-09% change) linmin: converged after 3 iterations. iteration 1683: trace = 2.393039456565813 (5.97041e-09% change) large trace change predicted (1.5105e-08%) linmin: converged after 6 iterations. iteration 1684: trace = 2.393039456204738 (1.50885e-08% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039456046751 (6.60194e-09% change) large trace change predicted (1.70597e-08%) linmin: converged after 12 iterations. iteration 1686: trace = 2.393039455638738 (1.705e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.393039455243519 (1.65154e-08% change) linmin: converged after 4 iterations. iteration 1688: trace = 2.393039455056417 (7.81859e-09% change) large trace change predicted (1.86223e-08%) linmin: converged after 9 iterations. iteration 1689: trace = 2.393039454611054 (1.86108e-08% change) linmin: converged after 4 iterations. iteration 1690: trace = 2.393039454171322 (1.83754e-08% change) linmin: converged after 9 iterations. iteration 1691: trace = 2.393039453818564 (1.4741e-08% change) large trace change predicted (3.11372e-08%) linmin: converged after 7 iterations. iteration 1692: trace = 2.393039453074008 (3.11134e-08% change) linmin: converged after 5 iterations. iteration 1693: trace = 2.393039452797738 (1.15447e-08% change) large trace change predicted (3.30116e-08%) linmin: converged after 3 iterations. iteration 1694: trace = 2.393039452007406 (3.30263e-08% change) linmin: converged after 6 iterations. iteration 1695: trace = 2.393039451439866 (2.37163e-08% change) linmin: converged after 6 iterations. iteration 1696: trace = 2.393039451134685 (1.27529e-08% change) large trace change predicted (2.85332e-08%) linmin: converged after 16 iterations. iteration 1697: trace = 2.393039450452045 (2.85261e-08% change) linmin: converged after 6 iterations. iteration 1698: trace = 2.393039450265314 (7.80309e-09% change) linmin: converged after 7 iterations. iteration 1699: trace = 2.393039449921884 (1.43512e-08% change) linmin: converged after 4 iterations. iteration 1700: trace = 2.393039449775002 (6.13787e-09% change) linmin: converged after 12 iterations. iteration 1701: trace = 2.393039449638505 (5.7039e-09% change) linmin: converged after 3 iterations. iteration 1702: trace = 2.393039449532193 (4.44258e-09% change) linmin: converged after 4 iterations. iteration 1703: trace = 2.393039449473548 (2.45063e-09% change) large trace change predicted (6.5718e-09%) linmin: converged after 6 iterations. iteration 1704: trace = 2.393039449316916 (6.54534e-09% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039449232301 (3.53584e-09% change) linmin: converged after 3 iterations. iteration 1706: trace = 2.393039449109216 (5.14346e-09% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039448870016 (9.99568e-09% change) linmin: converged after 5 iterations. iteration 1708: trace = 2.393039448784958 (3.55436e-09% change) large trace change predicted (1.22669e-08%) linmin: converged after 4 iterations. iteration 1709: trace = 2.39303944849109 (1.22801e-08% change) linmin: converged after 3 iterations. iteration 1710: trace = 2.393039448213335 (1.16068e-08% change) linmin: converged after 4 iterations. iteration 1711: trace = 2.393039448070876 (5.95305e-09% change) large trace change predicted (1.67228e-08%) linmin: converged after 15 iterations. iteration 1712: trace = 2.393039447670758 (1.67201e-08% change) linmin: converged after 8 iterations. iteration 1713: trace = 2.393039447560109 (4.62378e-09% change) large trace change predicted (1.78453e-08%) linmin: converged after 4 iterations. iteration 1714: trace = 2.39303944713308 (1.78447e-08% change) linmin: converged after 9 iterations. iteration 1715: trace = 2.393039446935062 (8.27475e-09% change) linmin: converged after 4 iterations. iteration 1716: trace = 2.393039446642102 (1.22422e-08% change) linmin: converged after 10 iterations. iteration 1717: trace = 2.393039446359064 (1.18276e-08% change) linmin: converged after 3 iterations. iteration 1718: trace = 2.393039446286803 (3.01963e-09% change) large trace change predicted (7.52314e-09%) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039446107193 (7.50552e-09% change) linmin: converged after 12 iterations. iteration 1720: trace = 2.393039446075387 (1.32909e-09% change) large trace change predicted (4.15695e-09%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039445975782 (4.16227e-09% change) linmin: converged after 3 iterations. iteration 1722: trace = 2.393039445953484 (9.31793e-10% change) large trace change predicted (2.28144e-09%) linmin: converged after 3 iterations. iteration 1723: trace = 2.393039445898906 (2.28072e-09% change) linmin: converged after 4 iterations. iteration 1724: trace = 2.393039445864279 (1.44697e-09% change) linmin: converged after 6 iterations. iteration 1725: trace = 2.393039445815468 (2.03971e-09% change) linmin: converged after 3 iterations. iteration 1726: trace = 2.39303944578284 (1.36344e-09% change) large trace change predicted (5.70781e-09%) linmin: converged after 3 iterations. iteration 1727: trace = 2.393039445646182 (5.71066e-09% change) linmin: converged after 3 iterations. iteration 1728: trace = 2.393039445598301 (2.00086e-09% change) large trace change predicted (6.80709e-09%) linmin: converged after 3 iterations. iteration 1729: trace = 2.393039445435487 (6.80364e-09% change) linmin: converged after 3 iterations. iteration 1730: trace = 2.39303944531831 (4.89657e-09% change) linmin: converged after 5 iterations. iteration 1731: trace = 2.393039445228778 (3.74135e-09% change) large trace change predicted (7.71732e-09%) linmin: converged after 3 iterations. iteration 1732: trace = 2.393039445044142 (7.71556e-09% change) linmin: converged after 3 iterations. iteration 1733: trace = 2.393039444971511 (3.03509e-09% change) linmin: converged after 3 iterations. iteration 1734: trace = 2.393039444840666 (5.46774e-09% change) linmin: converged after 3 iterations. iteration 1735: trace = 2.393039444714778 (5.2606e-09% change) linmin: converged after 3 iterations. iteration 1736: trace = 2.393039444675937 (1.62308e-09% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039444603462 (3.02859e-09% change) linmin: converged after 3 iterations. iteration 1738: trace = 2.393039444523325 (3.34873e-09% change) linmin: converged after 3 iterations. iteration 1739: trace = 2.393039444493621 (1.24128e-09% change) linmin: converged after 6 iterations. iteration 1740: trace = 2.393039444443883 (2.07844e-09% change) linmin: converged after 6 iterations. iteration 1741: trace = 2.393039444382688 (2.55719e-09% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.39303944436344 (8.04339e-10% change) linmin: converged after 3 iterations. iteration 1743: trace = 2.393039444345386 (7.54438e-10% change) linmin: converged after 3 iterations. iteration 1744: trace = 2.393039444310664 (1.45096e-09% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039444292932 (7.41003e-10% change) linmin: converged after 3 iterations. iteration 1746: trace = 2.393039444278023 (6.23014e-10% change) large trace change predicted (1.26916e-09%) linmin: converged after 3 iterations. iteration 1747: trace = 2.39303944424796 (1.25625e-09% change) linmin: converged after 3 iterations. iteration 1748: trace = 2.393039444228026 (8.33011e-10% change) linmin: converged after 5 iterations. iteration 1749: trace = 2.393039444218437 (4.00694e-10% change) resetting CG direction... large trace change predicted (9.52251e-10%) linmin: converged after 4 iterations. iteration 1750: trace = 2.393039444195666 (9.51556e-10% change) linmin: converged after 3 iterations. iteration 1751: trace = 2.393039444177546 (7.57185e-10% change) linmin: converged after 3 iterations. iteration 1752: trace = 2.393039444146321 (1.30484e-09% change) linmin: converged after 5 iterations. iteration 1753: trace = 2.39303944413465 (4.87692e-10% change) large trace change predicted (1.82599e-09%) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039444090912 (1.82775e-09% change) linmin: converged after 3 iterations. iteration 1755: trace = 2.393039444061502 (1.22897e-09% change) linmin: converged after 3 iterations. iteration 1756: trace = 2.393039444020474 (1.71446e-09% change) linmin: converged after 3 iterations. iteration 1757: trace = 2.393039443954934 (2.73878e-09% change) linmin: converged after 12 iterations. iteration 1758: trace = 2.393039443919599 (1.47657e-09% change) large trace change predicted (4.02759e-09%) linmin: converged after 3 iterations. iteration 1759: trace = 2.393039443823342 (4.0224e-09% change) linmin: converged after 10 iterations. iteration 1760: trace = 2.393039443738229 (3.55666e-09% change) linmin: converged after 4 iterations. iteration 1761: trace = 2.393039443622853 (4.8213e-09% change) large trace change predicted (9.66329e-09%) linmin: converged after 9 iterations. iteration 1762: trace = 2.393039443391864 (9.65256e-09% change) linmin: converged after 3 iterations. iteration 1763: trace = 2.393039443336197 (2.32621e-09% change) large trace change predicted (5.4175e-09%) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039443206546 (5.41785e-09% change) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039443122075 (3.52983e-09% change) linmin: converged after 3 iterations. iteration 1766: trace = 2.393039443038401 (3.49657e-09% change) large trace change predicted (7.6054e-09%) linmin: converged after 6 iterations. iteration 1767: trace = 2.393039442856517 (7.60054e-09% change) linmin: converged after 10 iterations. iteration 1768: trace = 2.3930394428069 (2.07338e-09% change) large trace change predicted (7.19913e-09%) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039442634707 (7.19561e-09% change) linmin: converged after 3 iterations. iteration 1770: trace = 2.393039442581494 (2.22366e-09% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039442523689 (2.41552e-09% change) linmin: converged after 3 iterations. iteration 1772: trace = 2.393039442439991 (3.49758e-09% change) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039442413424 (1.11017e-09% change) large trace change predicted (2.75507e-09%) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039442347044 (2.77389e-09% change) linmin: converged after 6 iterations. iteration 1775: trace = 2.393039442328087 (7.92166e-10% change) large trace change predicted (3.22877e-09%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039442250741 (3.23211e-09% change) linmin: converged after 6 iterations. iteration 1777: trace = 2.39303944221371 (1.54746e-09% change) large trace change predicted (3.34274e-09%) linmin: converged after 3 iterations. iteration 1778: trace = 2.393039442133237 (3.36279e-09% change) large trace change predicted (8.09184e-09%) linmin: converged after 17 iterations. iteration 1779: trace = 2.393039441939736 (8.08598e-09% change) linmin: converged after 3 iterations. iteration 1780: trace = 2.393039441833837 (4.42532e-09% change) large trace change predicted (1.34704e-08%) linmin: converged after 10 iterations. iteration 1781: trace = 2.393039441511344 (1.34763e-08% change) linmin: converged after 10 iterations. iteration 1782: trace = 2.393039441304755 (8.63291e-09% change) linmin: converged after 12 iterations. iteration 1783: trace = 2.39303944107243 (9.70839e-09% change) linmin: converged after 6 iterations. iteration 1784: trace = 2.393039440915222 (6.56939e-09% change) linmin: converged after 13 iterations. iteration 1785: trace = 2.393039440818795 (4.02947e-09% change) linmin: converged after 3 iterations. iteration 1786: trace = 2.393039440676874 (5.93056e-09% change) linmin: converged after 9 iterations. iteration 1787: trace = 2.393039440620795 (2.34343e-09% change) large trace change predicted (4.90466e-09%) linmin: converged after 3 iterations. iteration 1788: trace = 2.393039440503506 (4.90125e-09% change) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039440446732 (2.37247e-09% change) linmin: converged after 6 iterations. iteration 1790: trace = 2.393039440361032 (3.5812e-09% change) linmin: converged after 3 iterations. iteration 1791: trace = 2.393039440311737 (2.05996e-09% change) linmin: converged after 4 iterations. iteration 1792: trace = 2.393039440272974 (1.61979e-09% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039440199366 (3.07595e-09% change) linmin: converged after 12 iterations. iteration 1794: trace = 2.393039440165944 (1.3966e-09% change) large trace change predicted (3.70625e-09%) linmin: converged after 5 iterations. iteration 1795: trace = 2.393039440077674 (3.68864e-09% change) linmin: converged after 3 iterations. iteration 1796: trace = 2.393039440030697 (1.96307e-09% change) large trace change predicted (4.79803e-09%) linmin: converged after 10 iterations. iteration 1797: trace = 2.393039439915658 (4.80724e-09% change) linmin: converged after 12 iterations. iteration 1798: trace = 2.393039439814751 (4.21666e-09% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039439692446 (5.11086e-09% change) large trace change predicted (1.0631e-08%) linmin: converged after 3 iterations. iteration 1800: trace = 2.39303943943804 (1.06311e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039439290153 (6.17988e-09% change) large trace change predicted (1.93354e-08%) linmin: converged after 12 iterations. iteration 1802: trace = 2.393039438827166 (1.93472e-08% change) linmin: converged after 4 iterations. iteration 1803: trace = 2.393039438627755 (8.33295e-09% change) linmin: converged after 15 iterations. iteration 1804: trace = 2.393039438344062 (1.18549e-08% change) linmin: converged after 3 iterations. iteration 1805: trace = 2.393039438183445 (6.71183e-09% change) linmin: converged after 3 iterations. iteration 1806: trace = 2.393039438114115 (2.89717e-09% change) large trace change predicted (6.29463e-09%) linmin: converged after 6 iterations. iteration 1807: trace = 2.393039437963845 (6.27944e-09% change) linmin: converged after 5 iterations. iteration 1808: trace = 2.39303943791392 (2.08628e-09% change) linmin: converged after 5 iterations. iteration 1809: trace = 2.393039437874635 (1.64164e-09% change) linmin: converged after 3 iterations. iteration 1810: trace = 2.393039437823133 (2.15214e-09% change) linmin: converged after 9 iterations. iteration 1811: trace = 2.393039437792614 (1.27533e-09% change) large trace change predicted (5.16832e-09%) linmin: converged after 5 iterations. iteration 1812: trace = 2.393039437669096 (5.16156e-09% change) linmin: converged after 6 iterations. iteration 1813: trace = 2.393039437561806 (4.48341e-09% change) linmin: converged after 4 iterations. iteration 1814: trace = 2.393039437470394 (3.81992e-09% change) large trace change predicted (9.6568e-09%) linmin: converged after 3 iterations. iteration 1815: trace = 2.393039437239216 (9.66044e-09% change) linmin: converged after 3 iterations. iteration 1816: trace = 2.393039437195021 (1.84679e-09% change) large trace change predicted (8.05644e-09%) linmin: converged after 6 iterations. iteration 1817: trace = 2.393039437001947 (8.06815e-09% change) linmin: converged after 6 iterations. iteration 1818: trace = 2.393039436913043 (3.71511e-09% change) linmin: converged after 3 iterations. iteration 1819: trace = 2.393039436735796 (7.4068e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1820: trace = 2.393039436615087 (5.04416e-09% change) linmin: converged after 5 iterations. iteration 1821: trace = 2.393039436553057 (2.59212e-09% change) large trace change predicted (8.69087e-09%) linmin: converged after 6 iterations. iteration 1822: trace = 2.393039436344917 (8.69773e-09% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039436284367 (2.53023e-09% change) large trace change predicted (6.18035e-09%) linmin: converged after 3 iterations. iteration 1824: trace = 2.3930394361362 (6.19161e-09% change) linmin: converged after 6 iterations. iteration 1825: trace = 2.393039436018256 (4.92862e-09% change) linmin: converged after 6 iterations. iteration 1826: trace = 2.393039435969046 (2.05636e-09% change) linmin: converged after 3 iterations. iteration 1827: trace = 2.39303943588169 (3.65042e-09% change) linmin: converged after 4 iterations. iteration 1828: trace = 2.393039435842717 (1.62861e-09% change) linmin: converged after 3 iterations. iteration 1829: trace = 2.393039435813915 (1.20359e-09% change) linmin: converged after 5 iterations. iteration 1830: trace = 2.393039435779417 (1.44159e-09% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039435766638 (5.33993e-10% change) large trace change predicted (3.41338e-09%) linmin: converged after 3 iterations. iteration 1832: trace = 2.393039435684921 (3.41477e-09% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039435650287 (1.4473e-09% change) large trace change predicted (4.76432e-09%) linmin: converged after 3 iterations. iteration 1834: trace = 2.393039435536316 (4.76259e-09% change) linmin: converged after 3 iterations. iteration 1835: trace = 2.393039435396384 (5.84746e-09% change) linmin: converged after 4 iterations. iteration 1836: trace = 2.393039435335645 (2.53815e-09% change) large trace change predicted (1.09733e-08%) linmin: converged after 6 iterations. iteration 1837: trace = 2.393039435073163 (1.09686e-08% change) linmin: converged after 9 iterations. iteration 1838: trace = 2.393039434991662 (3.40577e-09% change) linmin: converged after 3 iterations. iteration 1839: trace = 2.39303943487383 (4.92393e-09% change) linmin: converged after 3 iterations. iteration 1840: trace = 2.393039434800345 (3.07079e-09% change) linmin: converged after 6 iterations. iteration 1841: trace = 2.393039434770315 (1.25488e-09% change) linmin: converged after 5 iterations. iteration 1842: trace = 2.393039434732226 (1.59168e-09% change) linmin: converged after 4 iterations. iteration 1843: trace = 2.393039434688152 (1.84176e-09% change) linmin: converged after 4 iterations. iteration 1844: trace = 2.39303943467836 (4.09175e-10% change) large trace change predicted (1.64274e-09%) linmin: converged after 4 iterations. iteration 1845: trace = 2.393039434638748 (1.65531e-09% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039434617966 (8.684e-10% change) linmin: converged after 4 iterations. iteration 1847: trace = 2.393039434606084 (4.96544e-10% change) large trace change predicted (1.08612e-09%) linmin: converged after 5 iterations. iteration 1848: trace = 2.393039434580546 (1.06717e-09% change) linmin: converged after 4 iterations. iteration 1849: trace = 2.393039434567339 (5.51883e-10% change) large trace change predicted (1.3046e-09%) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039434535825 (1.31694e-09% change) linmin: converged after 6 iterations. iteration 1851: trace = 2.393039434518744 (7.1376e-10% change) large trace change predicted (1.71326e-09%) linmin: converged after 3 iterations. iteration 1852: trace = 2.393039434477874 (1.70785e-09% change) linmin: converged after 6 iterations. iteration 1853: trace = 2.39303943445434 (9.83457e-10% change) large trace change predicted (2.34054e-09%) linmin: converged after 3 iterations. iteration 1854: trace = 2.393039434398526 (2.33237e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039434377281 (8.87756e-10% change) large trace change predicted (2.73964e-09%) linmin: converged after 3 iterations. iteration 1856: trace = 2.393039434312235 (2.71816e-09% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039434277281 (1.46063e-09% change) large trace change predicted (3.22141e-09%) linmin: converged after 7 iterations. iteration 1858: trace = 2.393039434199886 (3.23419e-09% change) linmin: converged after 6 iterations. iteration 1859: trace = 2.39303943417769 (9.27524e-10% change) large trace change predicted (3.00258e-09%) linmin: converged after 5 iterations. iteration 1860: trace = 2.393039434105628 (3.01129e-09% change) linmin: converged after 3 iterations. iteration 1861: trace = 2.3930394340861 (8.16049e-10% change) linmin: converged after 3 iterations. iteration 1862: trace = 2.39303943406486 (8.87551e-10% change) linmin: converged after 3 iterations. iteration 1863: trace = 2.393039434048505 (6.83474e-10% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039434038708 (4.09361e-10% change) linmin: converged after 5 iterations. iteration 1865: trace = 2.393039434030361 (3.48807e-10% change) linmin: converged after 5 iterations. iteration 1866: trace = 2.393039434022309 (3.36485e-10% change) linmin: converged after 3 iterations. iteration 1867: trace = 2.393039434012162 (4.2404e-10% change) linmin: converged after 6 iterations. iteration 1868: trace = 2.393039434003842 (3.47675e-10% change) linmin: converged after 3 iterations. iteration 1869: trace = 2.393039433988787 (6.29082e-10% change) linmin: converged after 6 iterations. iteration 1870: trace = 2.393039433978263 (4.39814e-10% change) linmin: converged after 5 iterations. iteration 1871: trace = 2.393039433957409 (8.71406e-10% change) linmin: converged after 4 iterations. iteration 1872: trace = 2.393039433943766 (5.70143e-10% change) linmin: converged after 3 iterations. iteration 1873: trace = 2.393039433923201 (8.59344e-10% change) linmin: converged after 3 iterations. iteration 1874: trace = 2.393039433893358 (1.24707e-09% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039433876588 (7.00788e-10% change) linmin: converged after 4 iterations. iteration 1876: trace = 2.393039433852826 (9.92995e-10% change) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039433838712 (5.89759e-10% change) large trace change predicted (1.2533e-09%) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039433808313 (1.27034e-09% change) linmin: converged after 3 iterations. iteration 1879: trace = 2.393039433794997 (5.56429e-10% change) large trace change predicted (1.19387e-09%) linmin: converged after 5 iterations. iteration 1880: trace = 2.393039433766649 (1.18462e-09% change) linmin: converged after 6 iterations. iteration 1881: trace = 2.393039433752501 (5.91206e-10% change) linmin: converged after 3 iterations. iteration 1882: trace = 2.393039433727414 (1.04833e-09% change) linmin: converged after 3 iterations. iteration 1883: trace = 2.393039433703695 (9.91177e-10% change) linmin: converged after 4 iterations. iteration 1884: trace = 2.39303943369355 (4.2391e-10% change) linmin: converged after 3 iterations. iteration 1885: trace = 2.393039433674987 (7.75705e-10% change) linmin: converged after 4 iterations. iteration 1886: trace = 2.393039433670693 (1.79433e-10% change) linmin: converged after 3 iterations. iteration 1887: trace = 2.393039433664913 (2.41545e-10% change) linmin: converged after 3 iterations. iteration 1888: trace = 2.393039433658601 (2.63758e-10% change) linmin: converged after 3 iterations. iteration 1889: trace = 2.393039433654001 (1.92256e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 223.71239137649536 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.4726064316793 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425743842929 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844417482463 (0.43222% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161848781773 (0.479383% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060275410308 (0.210061% change) linmin: converged after 8 iterations. iteration 6: trace = 2.423173496441477 (0.119061% change) linmin: converged after 6 iterations. iteration 7: trace = 2.421004974464662 (0.0895311% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230588502718 (0.0733182% change) linmin: converged after 5 iterations. iteration 9: trace = 2.418879966551738 (0.0144942% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217811138232 (0.0273782% change) linmin: converged after 4 iterations. iteration 11: trace = 2.41791661414678 (0.0124561% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553417119585 (0.0150222% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324392266428 (0.00947386% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053478147193 (0.0112078% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983339184622 (0.00290188% change) large trace change predicted (0.00610733%) linmin: converged after 3 iterations. iteration 16: trace = 2.41683413845168 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789893810626 (0.0018307% change) large trace change predicted (0.00505464%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666947212843 (0.00508732% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616681223286 (0.00207999% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550540418851 (0.00273695% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470727588368 (0.00330281% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391460051795 (0.00328036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340837484853 (0.00209499% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269502934743 (0.00295222% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222967868819 (0.00192592% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194248941607 (0.00118859% change) large trace change predicted (0.00530475%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065966449136 (0.00530942% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766155136 (0.00191223% change) large trace change predicted (0.00450147%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911185989398 (0.00449428% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826340151925 (0.00351202% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706050016934 (0.00497938% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628014634792 (0.00323039% change) large trace change predicted (0.0107004%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370536076258 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301752322894 (0.00284779% change) large trace change predicted (0.0088786%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087783883891 (0.00885926% change) linmin: converged after 4 iterations. iteration 36: trace = 2.41499630719488 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847790234521 (0.00614997% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719179207967 (0.00532599% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561279642779 (0.00653926% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484109960662 (0.00319606% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383085142223 (0.0041842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348660207591 (0.00142584% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292741164467 (0.00231614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262839432096 (0.00123854% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243275460592 (0.000810353% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221969413599 (0.000882518% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189342424333 (0.00135146% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175447826379 (0.000575541% change) large trace change predicted (0.00151726%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139131820406 (0.00150429% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108614772963 (0.0012641% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084439505118 (0.00100142% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051975715635 (0.00134478% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006541143371 (0.00188211% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987554951889 (0.000786504% change) large trace change predicted (0.00171873%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946350924714 (0.0017069% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918618368818 (0.00114885% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893179810757 (0.00105383% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859240154034 (0.00140602% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820611833855 (0.00160029% change) linmin: converged after 3 iterations. iteration 60: trace = 2.41379371660232 (0.00111422% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747556623282 (0.00191236% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717636611619 (0.00123957% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670772128531 (0.00194161% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608472937484 (0.00258113% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550361068726 (0.0024077% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476868707579 (0.00304504% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393443352889 (0.00345671% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361558952807 (0.00132115% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309206980998 (0.00216928% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292433617291 (0.000695038% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275725259813 (0.000692349% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247286264708 (0.00117845% change) linmin: converged after 5 iterations. iteration 73: trace = 2.413240949546879 (0.000262581% change) large trace change predicted (0.000686852%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224351266146 (0.000687803% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219298346457 (0.000209385% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214471341386 (0.000200024% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206821557941 (0.000316996% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202672014996 (0.000171952% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195507090028 (0.000296906% change) large trace change predicted (0.000675692%) linmin: converged after 3 iterations. iteration 80: trace = 2.413179123118357 (0.000678935% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174486119533 (0.000192153% change) large trace change predicted (0.000670701%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158287901495 (0.000671243% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137365157749 (0.000867031% change) linmin: converged after 4 iterations. iteration 84: trace = 2.41313205125692 (0.000220207% change) large trace change predicted (0.00137282%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098599305338 (0.00138626% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088249700511 (0.000428894% change) linmin: converged after 4 iterations. iteration 87: trace = 2.413069986749186 (0.000756832% change) linmin: converged after 5 iterations. iteration 88: trace = 2.413059110486709 (0.000450724% change) linmin: converged after 4 iterations. iteration 89: trace = 2.413054799908851 (0.000178636% change) large trace change predicted (0.000378474%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045656037611 (0.000378934% change) linmin: converged after 7 iterations. iteration 91: trace = 2.413029361528956 (0.00067527% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026310086575 (0.000126457% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009836157888 (0.000682711% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004932270046 (0.000203227% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000982549347 (0.000163685% change) large trace change predicted (0.000575076%) linmin: converged after 3 iterations. iteration 96: trace = 2.412987084441429 (0.000575969% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981962610885 (0.000212261% change) linmin: converged after 8 iterations. iteration 98: trace = 2.412974933898496 (0.000291288% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971633220663 (0.000136789% change) linmin: converged after 10 iterations. iteration 100: trace = 2.41296969963357 (8.01331e-05% change) large trace change predicted (0.000185934%) linmin: converged after 5 iterations. iteration 101: trace = 2.412965212817154 (0.000185946% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957829001476 (0.000306006% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955621846459 (9.1471e-05% change) large trace change predicted (0.000451406%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944779572966 (0.000449337% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939567470628 (0.000216006% change) large trace change predicted (0.000436625%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929065296473 (0.000435245% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912366097883 (0.000692074% change) linmin: converged after 4 iterations. iteration 108: trace = 2.41288272467351 (0.00122846% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866258143775 (0.000682445% change) large trace change predicted (0.0014041%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832868724427 (0.00138382% change) linmin: converged after 5 iterations. iteration 111: trace = 2.412826949669475 (0.000245316% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818867669138 (0.00033496% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807732728217 (0.000461492% change) linmin: converged after 4 iterations. iteration 114: trace = 2.412803749127395 (0.000165102% change) linmin: converged after 5 iterations. iteration 115: trace = 2.412797318292959 (0.00026653% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412796040493983 (5.29592e-05% change) large trace change predicted (0.000176609%) linmin: converged after 3 iterations. iteration 117: trace = 2.412791778982473 (0.000176621% change) linmin: converged after 6 iterations. iteration 118: trace = 2.412788945390335 (0.00011744% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787800517203 (4.74502e-05% change) large trace change predicted (0.00021539%) linmin: converged after 22 iterations. iteration 120: trace = 2.412782608800236 (0.000215175% change) linmin: converged after 4 iterations. iteration 121: trace = 2.412781603210585 (4.16776e-05% change) large trace change predicted (0.000159619%) linmin: converged after 5 iterations. iteration 122: trace = 2.412777756651581 (0.000159424% change) linmin: converged after 21 iterations. iteration 123: trace = 2.412776280560054 (6.11781e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.412774811197002 (6.08993e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773078731524 (7.18039e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 2.412772023610564 (4.37306e-05% change) large trace change predicted (0.000144159%) linmin: converged after 4 iterations. iteration 127: trace = 2.412768545458258 (0.000144156% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764329648909 (0.000174729% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762690065943 (6.79546e-05% change) large trace change predicted (0.00022691%) linmin: converged after 6 iterations. iteration 130: trace = 2.412757221377979 (0.000226657% change) linmin: converged after 5 iterations. iteration 131: trace = 2.412750327851664 (0.000285712% change) linmin: converged after 4 iterations. iteration 132: trace = 2.412744959840375 (0.000222485% change) large trace change predicted (0.000506633%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732720642922 (0.000507274% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730954631478 (7.31955e-05% change) large trace change predicted (0.000324304%) linmin: converged after 4 iterations. iteration 135: trace = 2.412723121123227 (0.000324674% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721615473608 (6.24046e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719153146647 (0.000102056% change) linmin: converged after 4 iterations. iteration 138: trace = 2.412714752145698 (0.000182409% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714235129618 (2.14288e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713784754152 (1.86668e-05% change) large trace change predicted (6.16167e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.41271229751497 (6.16418e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711741099932 (2.30618e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.412711423071571 (1.31814e-05% change) large trace change predicted (3.65187e-05%) linmin: converged after 5 iterations. iteration 144: trace = 2.412710541789183 (3.65266e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412709985002305 (2.30772e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709329303678 (2.71769e-05% change) large trace change predicted (5.48992e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.412708003504688 (5.49506e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707723343185 (1.16119e-05% change) large trace change predicted (2.45696e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.412707130431694 (2.45745e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706104507434 (4.25217e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.41270578257981 (1.3343e-05% change) large trace change predicted (4.36018e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704729568492 (4.36444e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.412704027168191 (2.91126e-05% change) linmin: converged after 5 iterations. iteration 154: trace = 2.412703564676231 (1.9169e-05% change) large trace change predicted (3.84611e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702635974135 (3.84922e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701345066634 (5.35046e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700860504454 (2.00838e-05% change) large trace change predicted (5.76405e-05%) linmin: converged after 3 iterations. iteration 158: trace = 2.412699467770541 (5.77251e-05% change) linmin: converged after 9 iterations. iteration 159: trace = 2.412698212583795 (5.20242e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697418810282 (3.28998e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.41269628746893 (4.68912e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695386092381 (3.73597e-05% change) linmin: converged after 16 iterations. iteration 163: trace = 2.412694301606301 (4.49492e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693066959875 (5.11729e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692869673331 (8.17703e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692596909532 (1.13054e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.412692065814359 (2.20126e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691967952765 (4.05612e-06% change) large trace change predicted (1.25534e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691664903453 (1.25606e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.41269151882399 (6.05463e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691323497366 (8.0958e-06% change) linmin: converged after 4 iterations. iteration 172: trace = 2.412691061031412 (1.08786e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690852587638 (8.63947e-06% change) large trace change predicted (1.90433e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690393063385 (1.90461e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689480174599 (3.7837e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.412689257332663 (9.23625e-06% change) large trace change predicted (2.93612e-05%) linmin: converged after 4 iterations. iteration 177: trace = 2.412688548625352 (2.93742e-05% change) linmin: converged after 7 iterations. iteration 178: trace = 2.412688113949724 (1.80162e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687759144954 (1.47058e-05% change) large trace change predicted (6.13178e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686278666822 (6.13622e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.412685892468328 (1.6007e-05% change) large trace change predicted (4.40884e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684828285347 (4.41078e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683959661672 (3.60024e-05% change) linmin: converged after 16 iterations. iteration 184: trace = 2.41268362907374 (1.37021e-05% change) large trace change predicted (2.87517e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682934717816 (2.87794e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.412682227654077 (2.93061e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412682000830988 (9.40128e-06% change) large trace change predicted (2.73337e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.412681341333945 (2.73346e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.412681249453636 (3.80822e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681126250548 (5.10648e-06% change) large trace change predicted (1.11581e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.412680857010287 (1.11594e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680817362095 (1.64333e-06% change) large trace change predicted (1.20263e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.412680527223247 (1.20256e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.412680393907443 (5.52563e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680280417886 (4.70388e-06% change) large trace change predicted (1.80685e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.412679844581648 (1.80644e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.412679498525944 (1.43432e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679148816449 (1.44947e-05% change) large trace change predicted (6.21807e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677648108339 (6.22009e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.412677368423382 (1.15923e-05% change) large trace change predicted (5.13172e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676129895467 (5.13342e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.412675255324041 (3.6249e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.412674857623696 (1.64838e-05% change) large trace change predicted (5.07416e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673633269721 (5.07468e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673233810707 (1.65567e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.412672620441537 (2.54228e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.41267212468961 (2.05478e-05% change) linmin: converged after 15 iterations. iteration 208: trace = 2.412671819520183 (1.26486e-05% change) large trace change predicted (3.39637e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.412671000128994 (3.3962e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670635038857 (1.51322e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670523083993 (4.64029e-06% change) large trace change predicted (1.04515e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670271047332 (1.04464e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670053721547 (9.00769e-06% change) linmin: converged after 5 iterations. iteration 214: trace = 2.412669936754242 (4.84804e-06% change) large trace change predicted (1.68391e-05%) linmin: converged after 4 iterations. iteration 215: trace = 2.412669530553186 (1.68362e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.412669438237494 (3.82629e-06% change) large trace change predicted (9.47496e-06%) linmin: converged after 3 iterations. iteration 217: trace = 2.412669209609661 (9.47614e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668914756718 (1.2221e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668820510233 (3.90632e-06% change) large trace change predicted (1.25473e-05%) linmin: converged after 23 iterations. iteration 220: trace = 2.412668517790209 (1.25471e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668212066454 (1.26716e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668105349921 (4.42317e-06% change) large trace change predicted (9.06687e-06%) linmin: converged after 4 iterations. iteration 223: trace = 2.412667886535738 (9.06939e-06% change) linmin: converged after 3 iterations. iteration 224: trace = 2.412667551571672 (1.38836e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.412667418317509 (5.52311e-06% change) large trace change predicted (1.77248e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666990673851 (1.77249e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666776970278 (8.85757e-06% change) linmin: converged after 5 iterations. iteration 228: trace = 2.412666431262663 (1.43289e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.412666125812491 (1.26603e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.412665851676855 (1.13624e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.412665377691057 (1.96457e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.412664779517022 (2.47931e-05% change) linmin: converged after 19 iterations. iteration 233: trace = 2.412664678921302 (4.16949e-06% change) large trace change predicted (8.35371e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664477366697 (8.35403e-06% change) linmin: converged after 17 iterations. iteration 235: trace = 2.412664310952648 (6.89752e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.412664249100853 (2.56363e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664165169105 (3.4788e-06% change) linmin: converged after 13 iterations. iteration 238: trace = 2.412664016321722 (6.16942e-06% change) linmin: converged after 13 iterations. iteration 239: trace = 2.412663996352473 (8.27685e-07% change) large trace change predicted (4.26442e-06%) linmin: converged after 4 iterations. iteration 240: trace = 2.41266389347136 (4.26421e-06% change) linmin: converged after 5 iterations. iteration 241: trace = 2.412663778283752 (4.77429e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.412663722755496 (2.30153e-06% change) large trace change predicted (1.0114e-05%) linmin: converged after 7 iterations. iteration 243: trace = 2.412663478869021 (1.01086e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.41266317212621 (1.27139e-05% change) linmin: converged after 6 iterations. iteration 245: trace = 2.41266297506366 (8.16784e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.41266271685295 (1.07023e-05% change) linmin: converged after 5 iterations. iteration 247: trace = 2.412662461733278 (1.05742e-05% change) linmin: converged after 18 iterations. iteration 248: trace = 2.412662228422914 (9.67025e-06% change) linmin: converged after 4 iterations. iteration 249: trace = 2.412661773182021 (1.88688e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.412661637750159 (5.61338e-06% change) large trace change predicted (2.26682e-05%) linmin: converged after 24 iterations. iteration 251: trace = 2.412661091485077 (2.26416e-05% change) linmin: converged after 7 iterations. iteration 252: trace = 2.412660438716966 (2.70559e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.412660310164648 (5.32824e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.412660085800419 (9.29945e-06% change) linmin: converged after 4 iterations. iteration 255: trace = 2.412659729610447 (1.47634e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.412659683191008 (1.92399e-06% change) large trace change predicted (1.0624e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659426946115 (1.06208e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.412659371642552 (2.29222e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659310609675 (2.52969e-06% change) large trace change predicted (5.13713e-06%) linmin: converged after 5 iterations. iteration 260: trace = 2.412659186680136 (5.13664e-06% change) linmin: converged after 12 iterations. iteration 261: trace = 2.412659125243518 (2.54643e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659033305007 (3.81067e-06% change) large trace change predicted (9.87101e-06%) linmin: converged after 5 iterations. iteration 263: trace = 2.412658795202499 (9.86888e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658738680189 (2.34274e-06% change) large trace change predicted (8.80589e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658526220048 (8.80606e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.412658132254595 (1.63291e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412658017236789 (4.76727e-06% change) large trace change predicted (3.84844e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.412657088640636 (3.84885e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656325874492 (3.16152e-05% change) linmin: converged after 10 iterations. iteration 270: trace = 2.412655894103643 (1.78961e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655342648407 (2.28568e-05% change) linmin: converged after 7 iterations. iteration 272: trace = 2.412654787288747 (2.30186e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654510433383 (1.14751e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654095695024 (1.71901e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.412653995943947 (4.1345e-06% change) large trace change predicted (1.38231e-05%) linmin: converged after 2 iterations. iteration 276: trace = 2.412653662440402 (1.38231e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.412653369848869 (1.21274e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.412653158593952 (8.75612e-06% change) large trace change predicted (1.76163e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652733207408 (1.76315e-05% change) resetting CG direction... linmin: converged after 14 iterations. iteration 280: trace = 2.41265247281537 (1.07928e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382530291 (3.74215e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.412652272545112 (4.55868e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.412652153279442 (4.94334e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.412652069064122 (3.49057e-06% change) large trace change predicted (7.44781e-06%) linmin: converged after 3 iterations. iteration 285: trace = 2.412651889353411 (7.44868e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.412651807950601 (3.374e-06% change) large trace change predicted (8.55983e-06%) linmin: converged after 5 iterations. iteration 287: trace = 2.412651601399093 (8.56118e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.41265134776607 (1.05126e-05% change) linmin: converged after 6 iterations. iteration 289: trace = 2.412651210576856 (5.68624e-06% change) large trace change predicted (2.11423e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650700452094 (2.11437e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.412650186182307 (2.13156e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.412650005642272 (7.48306e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.41264964732795 (1.48515e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649281319745 (1.51704e-05% change) linmin: converged after 23 iterations. iteration 295: trace = 2.412649107305584 (7.21258e-06% change) large trace change predicted (1.4932e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648746990333 (1.49344e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.41264861779442 (5.35494e-06% change) linmin: converged after 7 iterations. iteration 298: trace = 2.4126484945826 (5.10691e-06% change) linmin: converged after 17 iterations. iteration 299: trace = 2.412648328066993 (6.90178e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.412648230735793 (4.03421e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648147144485 (3.46471e-06% change) large trace change predicted (7.7728e-06%) linmin: converged after 3 iterations. iteration 302: trace = 2.412647959596917 (7.77352e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.412647933716113 (1.07271e-06% change) large trace change predicted (6.04568e-06%) linmin: converged after 4 iterations. iteration 304: trace = 2.412647787829529 (6.04674e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647721862858 (2.7342e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.412647698379908 (9.73327e-07% change) large trace change predicted (5.64425e-06%) linmin: converged after 3 iterations. iteration 307: trace = 2.412647562163547 (5.64593e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647475723582 (3.58278e-06% change) linmin: converged after 4 iterations. iteration 309: trace = 2.412647438026662 (1.56247e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.41264738609407 (2.15251e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.412647290849673 (3.94771e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.412647253081221 (1.56544e-06% change) large trace change predicted (7.42294e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647073914257 (7.42616e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646885328721 (7.81654e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.412646663343649 (9.20089e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.412646318151616 (1.43076e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646214127668 (4.31161e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646067344193 (6.08392e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.41264583575738 (9.59887e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.412645804224127 (1.307e-06% change) large trace change predicted (7.61745e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.412645620375904 (7.62019e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.41264552950055 (3.76663e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645495391833 (1.41375e-06% change) large trace change predicted (3.06828e-06%) linmin: converged after 3 iterations. iteration 324: trace = 2.412645421363155 (3.06836e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.412645342340803 (3.27534e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.41264532264753 (8.16252e-07% change) large trace change predicted (4.32694e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645218238689 (4.32757e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.412645185232851 (1.36804e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645152284258 (1.36566e-06% change) linmin: converged after 13 iterations. iteration 330: trace = 2.412645099922987 (2.17028e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.412645076791193 (9.58773e-07% change) large trace change predicted (2.98895e-06%) linmin: converged after 4 iterations. iteration 332: trace = 2.412645004685459 (2.98866e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644884110045 (4.99764e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.412644834105687 (2.0726e-06% change) large trace change predicted (6.6527e-06%) linmin: converged after 3 iterations. iteration 335: trace = 2.412644673589769 (6.65311e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41264452848114 (6.0145e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.41264445678108 (2.97185e-06% change) large trace change predicted (1.39576e-05%) linmin: converged after 3 iterations. iteration 338: trace = 2.4126441200145 (1.39584e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643800907788 (1.32264e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643706491794 (3.91338e-06% change) large trace change predicted (8.6777e-06%) linmin: converged after 3 iterations. iteration 341: trace = 2.412643497094058 (8.67918e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.412643395308863 (4.21882e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643322490218 (3.01821e-06% change) large trace change predicted (6.51432e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.412643165327341 (6.51414e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643147370928 (7.44263e-07% change) large trace change predicted (2.9329e-06%) linmin: converged after 4 iterations. iteration 346: trace = 2.412643076620209 (2.9325e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.412643019204381 (2.37979e-06% change) linmin: converged after 6 iterations. iteration 348: trace = 2.412643001179429 (7.47104e-07% change) large trace change predicted (3.47784e-06%) linmin: converged after 14 iterations. iteration 349: trace = 2.412642917281606 (3.47742e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642860814064 (2.34048e-06% change) linmin: converged after 4 iterations. iteration 351: trace = 2.4126428466326 (5.87798e-07% change) large trace change predicted (1.85754e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642801821691 (1.85734e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.412642759873036 (1.7387e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642745167841 (6.09506e-07% change) large trace change predicted (4.8191e-06%) linmin: converged after 14 iterations. iteration 355: trace = 2.412642628896069 (4.81927e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642590783856 (1.57969e-06% change) large trace change predicted (4.07934e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.412642492332208 (4.08066e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642373403223 (4.92941e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642326373659 (1.9493e-06% change) large trace change predicted (8.97879e-06%) linmin: converged after 4 iterations. iteration 360: trace = 2.412642109757285 (8.97839e-06% change) linmin: converged after 17 iterations. iteration 361: trace = 2.412641927747216 (7.54401e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.412641826412623 (4.20015e-06% change) linmin: converged after 6 iterations. iteration 363: trace = 2.412641665571785 (6.66659e-06% change) linmin: converged after 5 iterations. iteration 364: trace = 2.412641550509427 (4.76914e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.412641493264817 (2.37269e-06% change) large trace change predicted (4.75837e-06%) linmin: converged after 24 iterations. iteration 366: trace = 2.412641378467331 (4.75817e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.412641347494812 (1.28376e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.412641300585301 (1.94432e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.412641258766916 (1.7333e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641211920094 (1.94172e-06% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641198268954 (5.65817e-07% change) large trace change predicted (2.9775e-06%) linmin: converged after 4 iterations. iteration 372: trace = 2.412641126436468 (2.97734e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412641114033097 (5.14099e-07% change) large trace change predicted (2.09934e-06%) linmin: converged after 22 iterations. iteration 374: trace = 2.412641063385723 (2.09925e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.41264102127427 (1.74545e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412640986664866 (1.4345e-06% change) linmin: converged after 14 iterations. iteration 377: trace = 2.412640955207891 (1.30384e-06% change) large trace change predicted (3.37431e-06%) linmin: converged after 3 iterations. iteration 378: trace = 2.412640873816279 (3.37355e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.41264085548483 (7.59808e-07% change) large trace change predicted (3.97488e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.412640759608501 (3.97392e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640671475462 (3.65297e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640608200674 (2.62264e-06% change) large trace change predicted (8.67062e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.41264039919422 (8.66298e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.41264019909772 (8.29367e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640128006184 (2.94663e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001639197 (5.23771e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412639924331287 (3.20429e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.412639886110255 (1.5842e-06% change) large trace change predicted (3.84595e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639793340888 (3.84514e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.412639747643779 (1.89407e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639707895823 (1.64749e-06% change) linmin: converged after 5 iterations. iteration 392: trace = 2.4126396322545 (3.13521e-06% change) linmin: converged after 11 iterations. iteration 393: trace = 2.412639615539385 (6.92814e-07% change) large trace change predicted (1.57425e-06%) linmin: converged after 5 iterations. iteration 394: trace = 2.412639577561713 (1.57411e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520283287 (2.3741e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.412639510882351 (3.89654e-07% change) large trace change predicted (3.27357e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.412639431909297 (3.27331e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.412639406681856 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.412639373387683 (1.37999e-06% change) large trace change predicted (2.78365e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.41263930622236 (2.78389e-06% change) linmin: converged after 3 iterations. iteration 401: trace = 2.41263926222349 (1.82368e-06% change) linmin: converged after 8 iterations. iteration 402: trace = 2.412639206480723 (2.31045e-06% change) large trace change predicted (5.86802e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639064897671 (5.86839e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.412639033928283 (1.28363e-06% change) large trace change predicted (1.07094e-05%) linmin: converged after 3 iterations. iteration 405: trace = 2.41263877556923 (1.07086e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.412638628753053 (6.08529e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638525914129 (4.26251e-06% change) large trace change predicted (1.13211e-05%) linmin: converged after 4 iterations. iteration 408: trace = 2.412638252752962 (1.13221e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638016072187 (9.81004e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637947765857 (2.83119e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637835896647 (4.6368e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.412637777611123 (2.41584e-06% change) linmin: converged after 5 iterations. iteration 413: trace = 2.412637743025151 (1.43353e-06% change) large trace change predicted (2.96883e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.412637671396636 (2.96889e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.412637652685788 (7.75535e-07% change) large trace change predicted (1.67606e-06%) linmin: converged after 2 iterations. iteration 416: trace = 2.412637612247869 (1.67609e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.412637561461501 (2.10501e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.412637538178108 (9.6506e-07% change) large trace change predicted (2.09449e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.412637487645316 (2.0945e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.412637441782021 (1.90096e-06% change) linmin: converged after 19 iterations. iteration 421: trace = 2.41263742207711 (8.16737e-07% change) large trace change predicted (1.83148e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.412637377890678 (1.83146e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.412637336676159 (1.70828e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.4126373204275 (6.73481e-07% change) large trace change predicted (2.60235e-06%) linmin: converged after 2 iterations. iteration 425: trace = 2.412637257641774 (2.60237e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.412637215579251 (1.74343e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.412637178234246 (1.54789e-06% change) large trace change predicted (3.8197e-06%) linmin: converged after 4 iterations. iteration 428: trace = 2.412637086076163 (3.81981e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.412637012246496 (3.06012e-06% change) large trace change predicted (6.57945e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.41263685350838 (6.57944e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636622479167 (9.5758e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.412636555197012 (2.78874e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.412636466973223 (3.65674e-06% change) large trace change predicted (7.39679e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.412636288454161 (7.39934e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.41263626488539 (9.76889e-07% change) large trace change predicted (3.91073e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.4126361705212 (3.91125e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636134789171 (1.48104e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.412636110007766 (1.02715e-06% change) linmin: converged after 9 iterations. iteration 439: trace = 2.412636071751146 (1.58568e-06% change) linmin: converged after 31 iterations. iteration 440: trace = 2.412636039109053 (1.35296e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.412636027007419 (5.01594e-07% change) large trace change predicted (1.92849e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.412635980474882 (1.9287e-06% change) linmin: converged after 18 iterations. iteration 443: trace = 2.412635969967932 (4.35497e-07% change) linmin: converged after 22 iterations. iteration 444: trace = 2.412635953132072 (6.9782e-07% change) large trace change predicted (1.71894e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.412635911653299 (1.71923e-06% change) linmin: converged after 6 iterations. iteration 446: trace = 2.412635887970593 (9.81611e-07% change) linmin: converged after 3 iterations. iteration 447: trace = 2.412635853330581 (1.43577e-06% change) linmin: converged after 28 iterations. iteration 448: trace = 2.412635819218591 (1.41389e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.41263579128726 (1.15771e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.412635767594516 (9.82027e-07% change) large trace change predicted (2.44905e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.412635708495891 (2.44955e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.412635681818879 (1.10572e-06% change) large trace change predicted (2.96295e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635610308005 (2.96401e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635491501598 (4.92434e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.412635469435086 (9.14623e-07% change) large trace change predicted (5.20183e-06%) linmin: converged after 3 iterations. iteration 456: trace = 2.412635343835833 (5.20589e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635286484016 (2.37714e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635269603972 (6.99652e-07% change) large trace change predicted (3.02647e-06%) linmin: converged after 5 iterations. iteration 459: trace = 2.412635196560519 (3.02754e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635172238826 (1.0081e-06% change) linmin: converged after 8 iterations. iteration 461: trace = 2.412635154385368 (7.39998e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.412635131292329 (9.57171e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635108744785 (9.34561e-07% change) linmin: converged after 16 iterations. iteration 464: trace = 2.412635101743762 (2.90182e-07% change) large trace change predicted (1.16654e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.412635073596187 (1.16667e-06% change) linmin: converged after 4 iterations. iteration 466: trace = 2.412635058993712 (6.0525e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.412635037158811 (9.05023e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.412635024141069 (5.39565e-07% change) linmin: converged after 30 iterations. iteration 469: trace = 2.412635008142534 (6.63115e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634984460535 (9.81582e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634956935237 (1.14088e-06% change) linmin: converged after 10 iterations. iteration 472: trace = 2.412634944192459 (5.28169e-07% change) large trace change predicted (1.28668e-06%) linmin: converged after 3 iterations. iteration 473: trace = 2.412634913153267 (1.28653e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.412634869708619 (1.80071e-06% change) linmin: converged after 21 iterations. iteration 475: trace = 2.412634848068069 (8.96967e-07% change) large trace change predicted (3.46409e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.412634764505052 (3.46356e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.41263471036239 (2.24413e-06% change) linmin: converged after 10 iterations. iteration 478: trace = 2.412634635393895 (3.10733e-06% change) linmin: converged after 7 iterations. iteration 479: trace = 2.412634534860379 (4.16696e-06% change) linmin: converged after 7 iterations. iteration 480: trace = 2.412634518482655 (6.78832e-07% change) large trace change predicted (1.83934e-06%) linmin: converged after 3 iterations. iteration 481: trace = 2.412634474106985 (1.8393e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.412634420821758 (2.20859e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.412634409981919 (4.49295e-07% change) large trace change predicted (1.56518e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.412634372224826 (1.56497e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.412634355634417 (6.87647e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.41263434750079 (3.37126e-07% change) linmin: converged after 22 iterations. iteration 487: trace = 2.412634334340625 (5.45469e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.412634316078156 (7.56951e-07% change) linmin: converged after 2 iterations. iteration 489: trace = 2.412634307525388 (3.54499e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634299596417 (3.28644e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.412634285055379 (6.02704e-07% change) linmin: converged after 2 iterations. iteration 492: trace = 2.412634272558073 (5.17994e-07% change) linmin: converged after 7 iterations. iteration 493: trace = 2.412634264646269 (3.27932e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634250370039 (5.91728e-07% change) large trace change predicted (1.31076e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.412634218743278 (1.31088e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.412634203988838 (6.11549e-07% change) large trace change predicted (1.8689e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.412634158897655 (1.86896e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.412634138054461 (8.63919e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634110026821 (1.1617e-06% change) large trace change predicted (3.199e-06%) linmin: converged after 25 iterations. iteration 500: trace = 2.412634032844641 (3.19908e-06% change) linmin: converged after 7 iterations. iteration 501: trace = 2.412634006520998 (1.09107e-06% change) large trace change predicted (2.95013e-06%) linmin: converged after 3 iterations. iteration 502: trace = 2.412633935348479 (2.94999e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633879619551 (2.30988e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.412633860587332 (7.88856e-07% change) linmin: converged after 5 iterations. iteration 505: trace = 2.412633825955091 (1.43545e-06% change) linmin: converged after 4 iterations. iteration 506: trace = 2.41263379510816 (1.27856e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.412633788364843 (2.795e-07% change) large trace change predicted (1.04193e-06%) linmin: converged after 3 iterations. iteration 508: trace = 2.412633763225779 (1.04198e-06% change) linmin: converged after 11 iterations. iteration 509: trace = 2.412633748457454 (6.12125e-07% change) linmin: converged after 7 iterations. iteration 510: trace = 2.412633739660458 (3.64622e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.412633727964045 (4.84799e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.412633706215134 (9.01459e-07% change) linmin: converged after 36 iterations. iteration 513: trace = 2.412633701674881 (1.88187e-07% change) large trace change predicted (7.90887e-07%) linmin: converged after 3 iterations. iteration 514: trace = 2.4126336825949 (7.90836e-07% change) linmin: converged after 26 iterations. iteration 515: trace = 2.412633671110867 (4.75996e-07% change) linmin: converged after 3 iterations. iteration 516: trace = 2.412633664300462 (2.82281e-07% change) large trace change predicted (8.04113e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633644902835 (8.04002e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.41263361871153 (1.08559e-06% change) linmin: converged after 18 iterations. iteration 519: trace = 2.412633612469993 (2.58702e-07% change) large trace change predicted (1.85648e-06%) linmin: converged after 16 iterations. iteration 520: trace = 2.412633567691794 (1.85599e-06% change) linmin: converged after 18 iterations. iteration 521: trace = 2.412633547023186 (8.56682e-07% change) linmin: converged after 30 iterations. iteration 522: trace = 2.41263352762141 (8.04174e-07% change) large trace change predicted (3.66672e-06%) linmin: converged after 4 iterations. iteration 523: trace = 2.41263343922431 (3.66393e-06% change) linmin: converged after 18 iterations. iteration 524: trace = 2.412633425038576 (5.87977e-07% change) large trace change predicted (3.21106e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347607506 (3.2094e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633293989531 (2.22238e-06% change) linmin: converged after 17 iterations. iteration 527: trace = 2.412633282814469 (4.63189e-07% change) large trace change predicted (1.38646e-06%) linmin: converged after 3 iterations. iteration 528: trace = 2.412633249369911 (1.38623e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.412633226182503 (9.61083e-07% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633217772954 (3.48563e-07% change) large trace change predicted (9.1847e-07%) linmin: converged after 3 iterations. iteration 531: trace = 2.412633195615594 (9.18389e-07% change) linmin: converged after 5 iterations. iteration 532: trace = 2.412633181151997 (5.99494e-07% change) linmin: converged after 3 iterations. iteration 533: trace = 2.412633163842421 (7.17456e-07% change) linmin: converged after 4 iterations. iteration 534: trace = 2.412633149836604 (5.8052e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.412633137535378 (5.09867e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.412633126023987 (4.7713e-07% change) large trace change predicted (1.09721e-06%) linmin: converged after 24 iterations. iteration 537: trace = 2.412633099552856 (1.09719e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.412633094260564 (2.19357e-07% change) large trace change predicted (8.15543e-07%) linmin: converged after 25 iterations. iteration 539: trace = 2.412633074585623 (8.15497e-07% change) linmin: converged after 17 iterations. iteration 540: trace = 2.412633055894965 (7.747e-07% change) linmin: converged after 14 iterations. iteration 541: trace = 2.412633047168399 (3.61703e-07% change) large trace change predicted (1.03022e-06%) linmin: converged after 6 iterations. iteration 542: trace = 2.412633022313367 (1.0302e-06% change) linmin: converged after 2 iterations. iteration 543: trace = 2.412632985204466 (1.53811e-06% change) linmin: converged after 5 iterations. iteration 544: trace = 2.412632972386088 (5.31302e-07% change) large trace change predicted (3.16438e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.412632896032461 (3.16474e-06% change) linmin: converged after 5 iterations. iteration 546: trace = 2.412632864620243 (1.30199e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632827819871 (1.52532e-06% change) large trace change predicted (5.18407e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.412632702723378 (5.18506e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.412632661512463 (1.70813e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.412632606275865 (2.28947e-06% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632569454538 (1.52619e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559393794 (4.17003e-07% change) large trace change predicted (9.9684e-07%) linmin: converged after 3 iterations. iteration 553: trace = 2.41263253534433 (9.96814e-07% change) linmin: converged after 8 iterations. iteration 554: trace = 2.412632516134743 (7.96209e-07% change) linmin: converged after 5 iterations. iteration 555: trace = 2.412632508945961 (2.97964e-07% change) linmin: converged after 17 iterations. iteration 556: trace = 2.412632496437547 (5.18455e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.412632479828672 (6.88413e-07% change) linmin: converged after 5 iterations. iteration 558: trace = 2.412632470882901 (3.70789e-07% change) large trace change predicted (8.7377e-07%) linmin: converged after 3 iterations. iteration 559: trace = 2.412632449802999 (8.7373e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.412632430509535 (7.99685e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.412632425070163 (2.25454e-07% change) large trace change predicted (7.81561e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.412632406214601 (7.81535e-07% change) linmin: converged after 4 iterations. iteration 563: trace = 2.412632395050036 (4.62755e-07% change) linmin: converged after 6 iterations. iteration 564: trace = 2.412632387292498 (3.21538e-07% change) large trace change predicted (7.00258e-07%) linmin: converged after 6 iterations. iteration 565: trace = 2.412632370398085 (7.00248e-07% change) linmin: converged after 23 iterations. iteration 566: trace = 2.412632355180013 (6.30766e-07% change) linmin: converged after 6 iterations. iteration 567: trace = 2.41263234258419 (5.22078e-07% change) large trace change predicted (1.44304e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.412632307769536 (1.44302e-06% change) linmin: converged after 28 iterations. iteration 569: trace = 2.412632297714972 (4.16747e-07% change) large trace change predicted (2.7581e-06%) linmin: converged after 6 iterations. iteration 570: trace = 2.412632231175007 (2.75798e-06% change) linmin: converged after 11 iterations. iteration 571: trace = 2.412632161979124 (2.86807e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632133637415 (1.17472e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.412632096635164 (1.53369e-06% change) linmin: converged after 27 iterations. iteration 574: trace = 2.412632043412803 (2.20599e-06% change) linmin: converged after 2 iterations. iteration 575: trace = 2.412632027974648 (6.39888e-07% change) linmin: converged after 4 iterations. iteration 576: trace = 2.412631999289264 (1.18897e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.41263199293719 (2.63284e-07% change) large trace change predicted (6.56123e-07%) linmin: converged after 14 iterations. iteration 578: trace = 2.412631977106666 (6.56152e-07% change) linmin: converged after 3 iterations. iteration 579: trace = 2.412631964825822 (5.09023e-07% change) linmin: converged after 12 iterations. iteration 580: trace = 2.412631950558348 (5.91366e-07% change) linmin: converged after 3 iterations. iteration 581: trace = 2.412631948001017 (1.05998e-07% change) large trace change predicted (6.36046e-07%) linmin: converged after 13 iterations. iteration 582: trace = 2.412631932654924 (6.36073e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.412631929921282 (1.13305e-07% change) large trace change predicted (2.48552e-07%) linmin: converged after 5 iterations. iteration 584: trace = 2.412631923924131 (2.48573e-07% change) large trace change predicted (6.35569e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.412631908588614 (6.35634e-07% change) linmin: converged after 23 iterations. iteration 586: trace = 2.412631906019616 (1.06481e-07% change) large trace change predicted (7.43488e-07%) linmin: converged after 4 iterations. iteration 587: trace = 2.412631888077842 (7.4366e-07% change) linmin: converged after 30 iterations. iteration 588: trace = 2.412631878688956 (3.89155e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631872146539 (2.71173e-07% change) large trace change predicted (5.9415e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631857810525 (5.94206e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.412631832086421 (1.06623e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631818296104 (5.71588e-07% change) linmin: converged after 6 iterations. iteration 593: trace = 2.412631797655271 (8.55532e-07% change) large trace change predicted (1.7394e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.412631755675351 (1.74001e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263174662151 (3.75268e-07% change) large trace change predicted (1.16874e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631718420116 (1.16891e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.412631683794476 (1.43518e-06% change) linmin: converged after 2 iterations. iteration 598: trace = 2.412631678633707 (2.13906e-07% change) large trace change predicted (1.15281e-06%) linmin: converged after 4 iterations. iteration 599: trace = 2.412631650812322 (1.15316e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631647766944 (1.26226e-07% change) large trace change predicted (5.54604e-07%) linmin: converged after 4 iterations. iteration 601: trace = 2.412631634385495 (5.54641e-07% change) linmin: converged after 4 iterations. iteration 602: trace = 2.412631626641236 (3.20988e-07% change) linmin: converged after 9 iterations. iteration 603: trace = 2.412631622527124 (1.70524e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.412631616376268 (2.54944e-07% change) linmin: converged after 5 iterations. iteration 605: trace = 2.412631607292374 (3.76514e-07% change) linmin: converged after 3 iterations. iteration 606: trace = 2.412631605311292 (8.21129e-08% change) large trace change predicted (4.63878e-07%) linmin: converged after 4 iterations. iteration 607: trace = 2.412631594119526 (4.63882e-07% change) linmin: converged after 21 iterations. iteration 608: trace = 2.412631589506675 (1.91196e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.412631584035406 (2.26776e-07% change) linmin: converged after 20 iterations. iteration 610: trace = 2.412631576344531 (3.18775e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631564470813 (4.92148e-07% change) linmin: converged after 7 iterations. iteration 612: trace = 2.412631561105966 (1.39468e-07% change) large trace change predicted (5.91241e-07%) linmin: converged after 4 iterations. iteration 613: trace = 2.412631546842259 (5.9121e-07% change) linmin: converged after 23 iterations. iteration 614: trace = 2.412631537900961 (3.70604e-07% change) linmin: converged after 11 iterations. iteration 615: trace = 2.412631524948237 (5.36871e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631500920552 (9.95912e-07% change) linmin: converged after 4 iterations. iteration 617: trace = 2.412631487772047 (5.44986e-07% change) large trace change predicted (1.27559e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.412631456995054 (1.27566e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631426358054 (1.26986e-06% change) linmin: converged after 7 iterations. iteration 620: trace = 2.412631419613459 (2.79553e-07% change) linmin: converged after 2 iterations. iteration 621: trace = 2.412631408731586 (4.51038e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.412631388669741 (8.31534e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.412631386320154 (9.73869e-08% change) large trace change predicted (6.43728e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.41263137078966 (6.43716e-07% change) linmin: converged after 20 iterations. iteration 625: trace = 2.412631367461358 (1.37953e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.412631364341196 (1.29326e-07% change) large trace change predicted (2.90043e-07%) linmin: converged after 3 iterations. iteration 627: trace = 2.412631357343453 (2.90046e-07% change) linmin: converged after 12 iterations. iteration 628: trace = 2.4126313523449 (2.07183e-07% change) linmin: converged after 3 iterations. iteration 629: trace = 2.412631348268566 (1.68958e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.412631344431736 (1.59031e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.41263134002685 (1.82576e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.412631335271176 (1.97116e-07% change) linmin: converged after 21 iterations. iteration 633: trace = 2.412631331331592 (1.6329e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631327488496 (1.59291e-07% change) large trace change predicted (6.02673e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631312948187 (6.02674e-07% change) linmin: converged after 3 iterations. iteration 636: trace = 2.412631310895454 (8.50828e-08% change) large trace change predicted (6.68107e-07%) linmin: converged after 37 iterations. iteration 637: trace = 2.412631294775867 (6.68133e-07% change) linmin: converged after 21 iterations. iteration 638: trace = 2.412631282575826 (5.05674e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631277626279 (2.05151e-07% change) large trace change predicted (9.74559e-07%) linmin: converged after 2 iterations. iteration 640: trace = 2.41263125411361 (9.74565e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631232998343 (8.75197e-07% change) linmin: converged after 4 iterations. iteration 642: trace = 2.412631220139265 (5.3299e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.412631199911996 (8.3839e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631191636586 (3.43004e-07% change) linmin: converged after 3 iterations. iteration 645: trace = 2.412631183279183 (3.46402e-07% change) linmin: converged after 4 iterations. iteration 646: trace = 2.412631171487007 (4.88768e-07% change) linmin: converged after 27 iterations. iteration 647: trace = 2.412631168954319 (1.04976e-07% change) large trace change predicted (3.63316e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.412631160188647 (3.63324e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631155897688 (1.77854e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.41263115193879 (1.6409e-07% change) linmin: converged after 3 iterations. iteration 651: trace = 2.412631147490684 (1.84367e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631140568475 (2.86915e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.412631138151422 (1.00183e-07% change) large trace change predicted (2.68793e-07%) linmin: converged after 14 iterations. iteration 654: trace = 2.412631131666535 (2.68789e-07% change) linmin: converged after 3 iterations. iteration 655: trace = 2.412631126515688 (2.13495e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.412631124514832 (8.29326e-08% change) large trace change predicted (2.48912e-07%) linmin: converged after 15 iterations. iteration 657: trace = 2.412631118509633 (2.48907e-07% change) linmin: converged after 6 iterations. iteration 658: trace = 2.412631107672285 (4.49192e-07% change) linmin: converged after 29 iterations. iteration 659: trace = 2.412631105516212 (8.93661e-08% change) large trace change predicted (6.99896e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631088633407 (6.99767e-07% change) linmin: converged after 9 iterations. iteration 661: trace = 2.412631079209359 (3.90613e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.412631073188543 (2.49554e-07% change) large trace change predicted (1.23242e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631043467748 (1.23188e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.412631033031287 (4.32576e-07% change) large trace change predicted (8.95433e-07%) linmin: converged after 3 iterations. iteration 665: trace = 2.41263101143478 (8.95143e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.412630991360767 (8.32038e-07% change) linmin: converged after 34 iterations. iteration 667: trace = 2.412630986898685 (1.84947e-07% change) large trace change predicted (4.22379e-07%) linmin: converged after 20 iterations. iteration 668: trace = 2.412630976708886 (4.22352e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630967660475 (3.75043e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630964884708 (1.15051e-07% change) large trace change predicted (3.97667e-07%) linmin: converged after 8 iterations. iteration 671: trace = 2.412630955291559 (3.97622e-07% change) linmin: converged after 17 iterations. iteration 672: trace = 2.412630947961292 (3.03829e-07% change) linmin: converged after 21 iterations. iteration 673: trace = 2.412630943686239 (1.77195e-07% change) linmin: converged after 26 iterations. iteration 674: trace = 2.412630938138281 (2.29955e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.41263093180878 (2.62349e-07% change) linmin: converged after 3 iterations. iteration 676: trace = 2.412630930657883 (4.7703e-08% change) large trace change predicted (3.67868e-07%) linmin: converged after 3 iterations. iteration 677: trace = 2.412630921782811 (3.67859e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630917325379 (1.84754e-07% change) linmin: converged after 6 iterations. iteration 679: trace = 2.412630912868707 (1.84722e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.412630904878743 (3.31172e-07% change) linmin: converged after 10 iterations. iteration 681: trace = 2.412630901173149 (1.53591e-07% change) linmin: converged after 20 iterations. iteration 682: trace = 2.412630895258257 (2.45164e-07% change) large trace change predicted (6.06104e-07%) linmin: converged after 2 iterations. iteration 683: trace = 2.412630880635001 (6.06112e-07% change) linmin: converged after 3 iterations. iteration 684: trace = 2.412630877671996 (1.22812e-07% change) large trace change predicted (1.2113e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.41263084844553 (1.21139e-06% change) linmin: converged after 21 iterations. iteration 686: trace = 2.412630833135096 (6.34595e-07% change) linmin: converged after 2 iterations. iteration 687: trace = 2.41263082320165 (4.11727e-07% change) large trace change predicted (1.5899e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.41263078483906 (1.59007e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.412630774384965 (4.33307e-07% change) linmin: converged after 23 iterations. iteration 690: trace = 2.412630753695187 (8.57561e-07% change) linmin: converged after 3 iterations. iteration 691: trace = 2.412630743157435 (4.36774e-07% change) linmin: converged after 2 iterations. iteration 692: trace = 2.412630735803318 (3.04817e-07% change) linmin: converged after 2 iterations. iteration 693: trace = 2.41263073181322 (1.65384e-07% change) large trace change predicted (3.75496e-07%) linmin: converged after 12 iterations. iteration 694: trace = 2.412630722753758 (3.75501e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630720241677 (1.04122e-07% change) linmin: converged after 9 iterations. iteration 696: trace = 2.412630715328446 (2.03646e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630708769601 (2.71855e-07% change) linmin: converged after 2 iterations. iteration 698: trace = 2.412630706261897 (1.03941e-07% change) linmin: converged after 30 iterations. iteration 699: trace = 2.412630702052699 (1.74465e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630697984868 (1.68606e-07% change) linmin: converged after 2 iterations. iteration 701: trace = 2.412630695621315 (9.79658e-08% change) large trace change predicted (2.55182e-07%) linmin: converged after 19 iterations. iteration 702: trace = 2.412630689464828 (2.55177e-07% change) linmin: converged after 2 iterations. iteration 703: trace = 2.412630686994338 (1.02398e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.412630682256786 (1.96365e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630674275217 (3.30824e-07% change) linmin: converged after 7 iterations. iteration 706: trace = 2.412630671872351 (9.95953e-08% change) large trace change predicted (3.26983e-07%) linmin: converged after 12 iterations. iteration 707: trace = 2.412630663983398 (3.26986e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.4126306549498 (3.74429e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.412630651129749 (1.58336e-07% change) large trace change predicted (9.28137e-07%) linmin: converged after 4 iterations. iteration 710: trace = 2.412630628738105 (9.28101e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630612230513 (6.84215e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.412630593166302 (7.90184e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.412630580745255 (5.14834e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.412630567807815 (5.36238e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.412630557173796 (4.40764e-07% change) linmin: converged after 23 iterations. iteration 716: trace = 2.412630547752579 (3.90496e-07% change) linmin: converged after 3 iterations. iteration 717: trace = 2.412630544966766 (1.15468e-07% change) linmin: converged after 4 iterations. iteration 718: trace = 2.412630540674763 (1.77897e-07% change) linmin: converged after 3 iterations. iteration 719: trace = 2.412630535659631 (2.0787e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630533018452 (1.09473e-07% change) linmin: converged after 24 iterations. iteration 721: trace = 2.412630529554123 (1.43591e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.412630524119566 (2.25254e-07% change) linmin: converged after 39 iterations. iteration 723: trace = 2.412630523252263 (3.59484e-08% change) large trace change predicted (1.26153e-07%) linmin: converged after 13 iterations. iteration 724: trace = 2.412630520208611 (1.26155e-07% change) linmin: converged after 22 iterations. iteration 725: trace = 2.412630515590306 (1.91422e-07% change) linmin: converged after 4 iterations. iteration 726: trace = 2.41263051451737 (4.44716e-08% change) large trace change predicted (2.54155e-07%) linmin: converged after 18 iterations. iteration 727: trace = 2.412630508384789 (2.54187e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.41263050367689 (1.95135e-07% change) linmin: converged after 3 iterations. iteration 729: trace = 2.412630501519367 (8.94262e-08% change) large trace change predicted (1.91344e-07%) linmin: converged after 3 iterations. iteration 730: trace = 2.412630496902832 (1.91349e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.412630488937158 (3.30166e-07% change) linmin: converged after 2 iterations. iteration 732: trace = 2.41263048677312 (8.96962e-08% change) large trace change predicted (4.38042e-07%) linmin: converged after 28 iterations. iteration 733: trace = 2.412630476203662 (4.38089e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630464126485 (5.00581e-07% change) linmin: converged after 19 iterations. iteration 735: trace = 2.412630457786577 (2.6278e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.412630448537708 (3.83352e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.41263043528228 (5.49418e-07% change) linmin: converged after 3 iterations. iteration 738: trace = 2.412630432378604 (1.20353e-07% change) large trace change predicted (4.25244e-07%) linmin: converged after 4 iterations. iteration 739: trace = 2.412630422117292 (4.25316e-07% change) linmin: converged after 31 iterations. iteration 740: trace = 2.412630421162608 (3.95702e-08% change) large trace change predicted (2.18836e-07%) linmin: converged after 19 iterations. iteration 741: trace = 2.412630415882541 (2.18851e-07% change) linmin: converged after 3 iterations. iteration 742: trace = 2.412630413598977 (9.46504e-08% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630412505465 (4.53245e-08% change) large trace change predicted (1.26626e-07%) linmin: converged after 21 iterations. iteration 744: trace = 2.412630409450342 (1.2663e-07% change) linmin: converged after 7 iterations. iteration 745: trace = 2.412630406140488 (1.37189e-07% change) linmin: converged after 6 iterations. iteration 746: trace = 2.412630405455217 (2.84035e-08% change) large trace change predicted (1.57526e-07%) linmin: converged after 11 iterations. iteration 747: trace = 2.412630401654624 (1.57529e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630400040995 (6.68826e-08% change) linmin: converged after 3 iterations. iteration 749: trace = 2.412630398875223 (4.83195e-08% change) large trace change predicted (1.44433e-07%) linmin: converged after 23 iterations. iteration 750: trace = 2.412630395390554 (1.44434e-07% change) linmin: converged after 4 iterations. iteration 751: trace = 2.412630391577801 (1.58033e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.412630390239896 (5.54542e-08% change) large trace change predicted (1.41042e-07%) linmin: converged after 18 iterations. iteration 753: trace = 2.412630386837133 (1.4104e-07% change) linmin: converged after 7 iterations. iteration 754: trace = 2.412630380998193 (2.42016e-07% change) linmin: converged after 32 iterations. iteration 755: trace = 2.412630378758817 (9.28189e-08% change) large trace change predicted (3.85767e-07%) linmin: converged after 3 iterations. iteration 756: trace = 2.412630369452035 (3.85753e-07% change) linmin: converged after 16 iterations. iteration 757: trace = 2.412630361949772 (3.10958e-07% change) linmin: converged after 2 iterations. iteration 758: trace = 2.412630353931812 (3.32333e-07% change) linmin: converged after 9 iterations. iteration 759: trace = 2.412630343761267 (4.21554e-07% change) linmin: converged after 13 iterations. iteration 760: trace = 2.412630341641721 (8.78521e-08% change) large trace change predicted (2.09499e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630336587362 (2.09496e-07% change) linmin: converged after 9 iterations. iteration 762: trace = 2.412630330239075 (2.63127e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.41263032943413 (3.33638e-08% change) large trace change predicted (2.18555e-07%) linmin: converged after 8 iterations. iteration 764: trace = 2.412630324161313 (2.18551e-07% change) linmin: converged after 12 iterations. iteration 765: trace = 2.412630322968184 (4.94534e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.412630320703994 (9.38474e-08% change) linmin: converged after 8 iterations. iteration 767: trace = 2.412630319365513 (5.54781e-08% change) linmin: converged after 3 iterations. iteration 768: trace = 2.412630317527879 (7.61672e-08% change) linmin: converged after 9 iterations. iteration 769: trace = 2.412630315728442 (7.45841e-08% change) resetting CG direction... linmin: converged after 34 iterations. iteration 770: trace = 2.412630314002941 (7.15195e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630312334698 (6.91462e-08% change) linmin: converged after 4 iterations. iteration 772: trace = 2.412630311072657 (5.23098e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.412630310201734 (3.60985e-08% change) large trace change predicted (1.00858e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.412630307768393 (1.00858e-07% change) linmin: converged after 3 iterations. iteration 775: trace = 2.412630303398672 (1.81119e-07% change) linmin: converged after 7 iterations. iteration 776: trace = 2.412630302344466 (4.36953e-08% change) large trace change predicted (1.43487e-07%) linmin: converged after 28 iterations. iteration 777: trace = 2.412630298882664 (1.43487e-07% change) linmin: converged after 20 iterations. iteration 778: trace = 2.412630293349228 (2.29353e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.412630291782287 (6.49474e-08% change) large trace change predicted (3.79797e-07%) linmin: converged after 17 iterations. iteration 780: trace = 2.412630282619255 (3.79794e-07% change) linmin: converged after 18 iterations. iteration 781: trace = 2.412630278611255 (1.66126e-07% change) large trace change predicted (3.44064e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.412630270310145 (3.44069e-07% change) linmin: converged after 11 iterations. iteration 783: trace = 2.412630264638863 (2.35066e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630262012753 (1.08848e-07% change) linmin: converged after 2 iterations. iteration 785: trace = 2.412630257534532 (1.85616e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.412630253415061 (1.70746e-07% change) linmin: converged after 3 iterations. iteration 787: trace = 2.412630252621948 (3.28734e-08% change) large trace change predicted (1.43601e-07%) linmin: converged after 24 iterations. iteration 788: trace = 2.41263024915729 (1.43605e-07% change) linmin: converged after 3 iterations. iteration 789: trace = 2.412630247705548 (6.01726e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.412630246642179 (4.40751e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630244692875 (8.07958e-08% change) linmin: converged after 14 iterations. iteration 792: trace = 2.412630242850142 (7.63786e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630241342932 (6.24717e-08% change) linmin: converged after 24 iterations. iteration 794: trace = 2.412630238989813 (9.75333e-08% change) linmin: converged after 3 iterations. iteration 795: trace = 2.412630237919453 (4.43649e-08% change) linmin: converged after 26 iterations. iteration 796: trace = 2.41263023639565 (6.31594e-08% change) linmin: converged after 3 iterations. iteration 797: trace = 2.412630234404551 (8.25282e-08% change) linmin: converged after 22 iterations. iteration 798: trace = 2.412630231415624 (1.23887e-07% change) linmin: converged after 15 iterations. iteration 799: trace = 2.412630229447239 (8.15867e-08% change) large trace change predicted (2.53304e-07%) linmin: converged after 3 iterations. iteration 800: trace = 2.412630223336504 (2.53281e-07% change) linmin: converged after 14 iterations. iteration 801: trace = 2.412630219508458 (1.58667e-07% change) linmin: converged after 3 iterations. iteration 802: trace = 2.41263021656119 (1.2216e-07% change) large trace change predicted (4.23832e-07%) linmin: converged after 19 iterations. iteration 803: trace = 2.412630206338954 (4.23697e-07% change) linmin: converged after 11 iterations. iteration 804: trace = 2.412630200502285 (2.41921e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.412630194327604 (2.55931e-07% change) linmin: converged after 6 iterations. iteration 806: trace = 2.412630189155901 (2.1436e-07% change) linmin: converged after 23 iterations. iteration 807: trace = 2.412630184255125 (2.0313e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630183113364 (4.73243e-08% change) large trace change predicted (1.78707e-07%) linmin: converged after 5 iterations. iteration 809: trace = 2.412630178802017 (1.78699e-07% change) linmin: converged after 3 iterations. iteration 810: trace = 2.412630176103099 (1.11866e-07% change) linmin: converged after 15 iterations. iteration 811: trace = 2.412630174655609 (5.99964e-08% change) large trace change predicted (1.468e-07%) linmin: converged after 3 iterations. iteration 812: trace = 2.412630171114174 (1.46787e-07% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630170541555 (2.37342e-08% change) large trace change predicted (8.56223e-08%) linmin: converged after 6 iterations. iteration 814: trace = 2.412630168475846 (8.56206e-08% change) linmin: converged after 6 iterations. iteration 815: trace = 2.412630166425033 (8.50032e-08% change) linmin: converged after 3 iterations. iteration 816: trace = 2.41263016596134 (1.92194e-08% change) large trace change predicted (1.22756e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.412630162999704 (1.22756e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.412630161544896 (6.02997e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630160401213 (4.7404e-08% change) large trace change predicted (1.04857e-07%) linmin: converged after 3 iterations. iteration 820: trace = 2.412630157871396 (1.04857e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.412630155502437 (9.81899e-08% change) linmin: converged after 17 iterations. iteration 822: trace = 2.41263015373589 (7.32208e-08% change) large trace change predicted (2.11537e-07%) linmin: converged after 3 iterations. iteration 823: trace = 2.412630148632152 (2.11543e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.412630147596164 (4.29402e-08% change) large trace change predicted (4.24036e-07%) linmin: converged after 9 iterations. iteration 825: trace = 2.412630137365308 (4.24054e-07% change) linmin: converged after 4 iterations. iteration 826: trace = 2.412630131637216 (2.37421e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.412630125367094 (2.59887e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.412630115580674 (4.05633e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.412630106176529 (3.89788e-07% change) linmin: converged after 38 iterations. iteration 830: trace = 2.412630104317195 (7.70667e-08% change) large trace change predicted (1.84428e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.41263009986758 (1.8443e-07% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630097204729 (1.10371e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630096236547 (4.01297e-08% change) large trace change predicted (1.12539e-07%) linmin: converged after 9 iterations. iteration 834: trace = 2.412630093521376 (1.1254e-07% change) linmin: converged after 3 iterations. iteration 835: trace = 2.41263009130243 (9.19721e-08% change) linmin: converged after 3 iterations. iteration 836: trace = 2.41263009081976 (2.0006e-08% change) large trace change predicted (1.0333e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.412630088326788 (1.0333e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630087184927 (4.73285e-08% change) linmin: converged after 7 iterations. iteration 839: trace = 2.412630086005061 (4.89037e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 840: trace = 2.412630084853224 (4.77419e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630083775452 (4.46721e-08% change) large trace change predicted (9.87849e-08%) linmin: converged after 4 iterations. iteration 842: trace = 2.412630081392131 (9.87852e-08% change) linmin: converged after 3 iterations. iteration 843: trace = 2.412630080919055 (1.96083e-08% change) large trace change predicted (8.72356e-08%) linmin: converged after 19 iterations. iteration 844: trace = 2.412630078814388 (8.72354e-08% change) linmin: converged after 9 iterations. iteration 845: trace = 2.412630076522828 (9.49818e-08% change) linmin: converged after 3 iterations. iteration 846: trace = 2.412630075547689 (4.04181e-08% change) large trace change predicted (9.2334e-08%) linmin: converged after 4 iterations. iteration 847: trace = 2.412630073320048 (9.23325e-08% change) linmin: converged after 13 iterations. iteration 848: trace = 2.412630069081791 (1.7567e-07% change) linmin: converged after 2 iterations. iteration 849: trace = 2.412630067837733 (5.15644e-08% change) large trace change predicted (3.41124e-07%) linmin: converged after 30 iterations. iteration 850: trace = 2.412630059607968 (3.41112e-07% change) linmin: converged after 6 iterations. iteration 851: trace = 2.412630055236741 (1.81181e-07% change) linmin: converged after 14 iterations. iteration 852: trace = 2.412630048927199 (2.61521e-07% change) linmin: converged after 3 iterations. iteration 853: trace = 2.41263004326056 (2.34874e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.412630035362064 (3.27381e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.412630034623983 (3.05924e-08% change) large trace change predicted (1.22412e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.412630031670645 (1.22412e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.412630029864731 (7.48525e-08% change) linmin: converged after 9 iterations. iteration 858: trace = 2.412630029083334 (3.23878e-08% change) large trace change predicted (7.69998e-08%) linmin: converged after 3 iterations. iteration 859: trace = 2.412630027225611 (7.69999e-08% change) linmin: converged after 3 iterations. iteration 860: trace = 2.412630026050904 (4.86899e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.412630025045656 (4.16661e-08% change) linmin: converged after 2 iterations. iteration 862: trace = 2.412630023160149 (7.81515e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.412630022805833 (1.46859e-08% change) large trace change predicted (4.65662e-08%) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021682353 (4.65666e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.412630020105678 (6.53509e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.412630019766103 (1.40749e-08% change) large trace change predicted (9.34969e-08%) linmin: converged after 20 iterations. iteration 867: trace = 2.412630017510174 (9.3505e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630016426371 (4.4922e-08% change) linmin: converged after 7 iterations. iteration 869: trace = 2.412630015371302 (4.37311e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.412630013401023 (8.16652e-08% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630010552538 (1.18066e-07% change) linmin: converged after 3 iterations. iteration 872: trace = 2.4126300097959 (3.13615e-08% change) large trace change predicted (1.66541e-07%) linmin: converged after 5 iterations. iteration 873: trace = 2.412630005777557 (1.66554e-07% change) linmin: converged after 3 iterations. iteration 874: trace = 2.412630000327308 (2.25905e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629997601611 (1.12976e-07% change) linmin: converged after 3 iterations. iteration 876: trace = 2.412629996002416 (6.62843e-08% change) large trace change predicted (2.32807e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.412629990384681 (2.32847e-07% change) linmin: converged after 5 iterations. iteration 878: trace = 2.412629989772531 (2.53727e-08% change) large trace change predicted (1.47967e-07%) linmin: converged after 4 iterations. iteration 879: trace = 2.412629986202342 (1.47979e-07% change) linmin: converged after 16 iterations. iteration 880: trace = 2.412629985180147 (4.23685e-08% change) linmin: converged after 2 iterations. iteration 881: trace = 2.4126299837857 (5.77978e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.412629982846029 (3.8948e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629982045632 (3.31753e-08% change) linmin: converged after 28 iterations. iteration 884: trace = 2.412629981563856 (1.99689e-08% change) large trace change predicted (4.71691e-08%) linmin: converged after 3 iterations. iteration 885: trace = 2.412629980425849 (4.71688e-08% change) linmin: converged after 6 iterations. iteration 886: trace = 2.412629980010091 (1.72326e-08% change) large trace change predicted (5.13306e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.412629978771683 (5.13302e-08% change) linmin: converged after 3 iterations. iteration 888: trace = 2.412629978098695 (2.78943e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.412629977621283 (1.97881e-08% change) large trace change predicted (4.03133e-08%) linmin: converged after 3 iterations. iteration 890: trace = 2.412629976648673 (4.03133e-08% change) linmin: converged after 15 iterations. iteration 891: trace = 2.412629975084502 (6.48326e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.412629974734866 (1.44919e-08% change) large trace change predicted (6.46005e-08%) linmin: converged after 4 iterations. iteration 893: trace = 2.412629973176286 (6.46009e-08% change) linmin: converged after 10 iterations. iteration 894: trace = 2.412629971143999 (8.42353e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.412629970287078 (3.55181e-08% change) large trace change predicted (1.21358e-07%) linmin: converged after 7 iterations. iteration 896: trace = 2.412629967359126 (1.21359e-07% change) linmin: converged after 5 iterations. iteration 897: trace = 2.41262996325066 (1.7029e-07% change) linmin: converged after 10 iterations. iteration 898: trace = 2.412629961827745 (5.89777e-08% change) large trace change predicted (1.47248e-07%) linmin: converged after 13 iterations. iteration 899: trace = 2.412629958275279 (1.47245e-07% change) linmin: converged after 22 iterations. iteration 900: trace = 2.41262995762309 (2.70323e-08% change) large trace change predicted (6.70779e-08%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629956004767 (6.70771e-08% change) linmin: converged after 8 iterations. iteration 902: trace = 2.412629953853624 (8.91618e-08% change) linmin: converged after 6 iterations. iteration 903: trace = 2.412629952339011 (6.27785e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.412629951824864 (2.13106e-08% change) large trace change predicted (4.56631e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.412629950723184 (4.56631e-08% change) linmin: converged after 9 iterations. iteration 906: trace = 2.41262995043129 (1.20986e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.412629950115063 (1.31072e-08% change) large trace change predicted (4.82051e-08%) linmin: converged after 9 iterations. iteration 908: trace = 2.412629948952074 (4.82042e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.412629948000506 (3.94411e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.412629947096256 (3.74798e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.412629946063116 (4.28222e-08% change) linmin: converged after 13 iterations. iteration 912: trace = 2.412629945705591 (1.48189e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.412629945403778 (1.25097e-08% change) large trace change predicted (3.66869e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.412629944518654 (3.66871e-08% change) linmin: converged after 8 iterations. iteration 915: trace = 2.412629943941131 (2.39375e-08% change) linmin: converged after 19 iterations. iteration 916: trace = 2.412629942846111 (4.5387e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.41262994195871 (3.67815e-08% change) linmin: converged after 3 iterations. iteration 918: trace = 2.412629940945351 (4.20023e-08% change) linmin: converged after 32 iterations. iteration 919: trace = 2.412629939456953 (6.16919e-08% change) large trace change predicted (1.39475e-07%) linmin: converged after 4 iterations. iteration 920: trace = 2.412629936091918 (1.39476e-07% change) linmin: converged after 8 iterations. iteration 921: trace = 2.412629935440238 (2.70112e-08% change) large trace change predicted (1.37329e-07%) linmin: converged after 16 iterations. iteration 922: trace = 2.41262993212697 (1.3733e-07% change) linmin: converged after 9 iterations. iteration 923: trace = 2.412629929854697 (9.41824e-08% change) linmin: converged after 25 iterations. iteration 924: trace = 2.41262992903042 (3.41651e-08% change) large trace change predicted (6.89212e-08%) linmin: converged after 13 iterations. iteration 925: trace = 2.412629927367583 (6.89222e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925481372 (7.81807e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629925170021 (1.2905e-08% change) large trace change predicted (4.50779e-08%) linmin: converged after 2 iterations. iteration 928: trace = 2.412629924082459 (4.50779e-08% change) linmin: converged after 3 iterations. iteration 929: trace = 2.412629923616154 (1.93277e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629923335968 (1.16133e-08% change) large trace change predicted (3.70642e-08%) linmin: converged after 3 iterations. iteration 931: trace = 2.412629922441755 (3.70638e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.412629921545873 (3.7133e-08% change) linmin: converged after 3 iterations. iteration 933: trace = 2.412629921236584 (1.28196e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920621312 (2.55021e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919788004 (3.45394e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.412629919585213 (8.4054e-09% change) large trace change predicted (3.2847e-08%) linmin: converged after 3 iterations. iteration 937: trace = 2.412629918792752 (3.28463e-08% change) linmin: converged after 20 iterations. iteration 938: trace = 2.412629917916981 (3.62995e-08% change) linmin: converged after 3 iterations. iteration 939: trace = 2.412629917146474 (3.19364e-08% change) linmin: converged after 8 iterations. iteration 940: trace = 2.412629916255733 (3.69199e-08% change) large trace change predicted (8.63994e-08%) linmin: converged after 3 iterations. iteration 941: trace = 2.412629914171304 (8.63966e-08% change) linmin: converged after 10 iterations. iteration 942: trace = 2.412629913732433 (1.81906e-08% change) large trace change predicted (1.72939e-07%) linmin: converged after 22 iterations. iteration 943: trace = 2.412629909560476 (1.72922e-07% change) linmin: converged after 2 iterations. iteration 944: trace = 2.412629908693916 (3.59176e-08% change) large trace change predicted (1.61041e-07%) linmin: converged after 4 iterations. iteration 945: trace = 2.412629904808962 (1.61026e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.412629902806294 (8.30077e-08% change) linmin: converged after 12 iterations. iteration 947: trace = 2.412629901003231 (7.47343e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.412629900520371 (2.00138e-08% change) large trace change predicted (6.2617e-08%) linmin: converged after 8 iterations. iteration 949: trace = 2.412629899009689 (6.26156e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.412629897714054 (5.37022e-08% change) linmin: converged after 9 iterations. iteration 951: trace = 2.412629897292119 (1.74886e-08% change) large trace change predicted (4.40285e-08%) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896229895 (4.40277e-08% change) linmin: converged after 7 iterations. iteration 953: trace = 2.412629895835679 (1.63397e-08% change) linmin: converged after 31 iterations. iteration 954: trace = 2.41262989545988 (1.55763e-08% change) large trace change predicted (4.40494e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.412629894397146 (4.40488e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629894177326 (9.11121e-09% change) large trace change predicted (4.35654e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.41262989312627 (4.35648e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.412629892693353 (1.79438e-08% change) linmin: converged after 3 iterations. iteration 959: trace = 2.412629892094426 (2.48246e-08% change) linmin: converged after 5 iterations. iteration 960: trace = 2.412629891158984 (3.87727e-08% change) linmin: converged after 6 iterations. iteration 961: trace = 2.412629890450349 (2.93719e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.412629890044665 (1.6815e-08% change) large trace change predicted (7.79877e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.412629888163096 (7.79883e-08% change) linmin: converged after 3 iterations. iteration 964: trace = 2.412629886947771 (5.03734e-08% change) large trace change predicted (1.19346e-07%) linmin: converged after 4 iterations. iteration 965: trace = 2.412629884068335 (1.19348e-07% change) linmin: converged after 4 iterations. iteration 966: trace = 2.412629880344576 (1.54344e-07% change) linmin: converged after 10 iterations. iteration 967: trace = 2.412629877828252 (1.04298e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.412629876766644 (4.40021e-08% change) large trace change predicted (1.53344e-07%) linmin: converged after 24 iterations. iteration 969: trace = 2.41262987306691 (1.53349e-07% change) linmin: converged after 3 iterations. iteration 970: trace = 2.412629872084477 (4.07204e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.412629870941752 (4.73643e-08% change) linmin: converged after 4 iterations. iteration 972: trace = 2.412629869864672 (4.46434e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.41262986936404 (2.07505e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.412629868864745 (2.06951e-08% change) linmin: converged after 13 iterations. iteration 975: trace = 2.412629868071305 (3.28869e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.412629867904632 (6.90837e-09% change) large trace change predicted (4.18304e-08%) linmin: converged after 3 iterations. iteration 977: trace = 2.412629866895409 (4.18308e-08% change) linmin: converged after 4 iterations. iteration 978: trace = 2.412629866098786 (3.30189e-08% change) linmin: converged after 3 iterations. iteration 979: trace = 2.412629864748495 (5.59676e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629863545178 (4.98757e-08% change) linmin: converged after 8 iterations. iteration 981: trace = 2.412629862858517 (2.84611e-08% change) linmin: converged after 3 iterations. iteration 982: trace = 2.412629862100964 (3.13994e-08% change) linmin: converged after 3 iterations. iteration 983: trace = 2.412629861885926 (8.91302e-09% change) large trace change predicted (3.86844e-08%) linmin: converged after 4 iterations. iteration 984: trace = 2.412629860952619 (3.86842e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.412629860525339 (1.77102e-08% change) linmin: converged after 5 iterations. iteration 986: trace = 2.412629860196476 (1.36309e-08% change) large trace change predicted (3.9324e-08%) linmin: converged after 21 iterations. iteration 987: trace = 2.412629859247733 (3.9324e-08% change) linmin: converged after 17 iterations. iteration 988: trace = 2.412629858594462 (2.70772e-08% change) linmin: converged after 7 iterations. iteration 989: trace = 2.412629857614493 (4.06183e-08% change) large trace change predicted (1.15146e-07%) linmin: converged after 4 iterations. iteration 990: trace = 2.412629854836491 (1.15144e-07% change) linmin: converged after 19 iterations. iteration 991: trace = 2.412629854082428 (3.12548e-08% change) large trace change predicted (6.28935e-08%) linmin: converged after 4 iterations. iteration 992: trace = 2.412629852565037 (6.28937e-08% change) large trace change predicted (1.49805e-07%) linmin: converged after 3 iterations. iteration 993: trace = 2.412629848950882 (1.49801e-07% change) linmin: converged after 30 iterations. iteration 994: trace = 2.412629848207922 (3.07946e-08% change) large trace change predicted (7.84549e-08%) linmin: converged after 12 iterations. iteration 995: trace = 2.412629846315109 (7.84543e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.41262984535935 (3.96148e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.412629844930482 (1.7776e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.412629844252526 (2.81003e-08% change) linmin: converged after 3 iterations. iteration 999: trace = 2.412629843325026 (3.84435e-08% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.412629843164996 (6.63302e-09% change) large trace change predicted (2.14305e-08%) linmin: converged after 25 iterations. iteration 1001: trace = 2.412629842647958 (2.14305e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629842207104 (1.82728e-08% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.412629841946901 (1.0785e-08% change) linmin: converged after 10 iterations. iteration 1004: trace = 2.412629841632628 (1.30262e-08% change) large trace change predicted (2.69475e-08%) linmin: converged after 30 iterations. iteration 1005: trace = 2.412629840982474 (2.69479e-08% change) linmin: converged after 22 iterations. iteration 1006: trace = 2.412629840877706 (4.34251e-09% change) large trace change predicted (3.23115e-08%) linmin: converged after 5 iterations. iteration 1007: trace = 2.41262984009813 (3.23123e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.412629839751881 (1.43515e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.41262983958712 (6.82911e-09% change) large trace change predicted (4.12517e-08%) linmin: converged after 5 iterations. iteration 1010: trace = 2.412629838591845 (4.12527e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629838120655 (1.95301e-08% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.412629837510762 (2.52792e-08% change) large trace change predicted (6.32167e-08%) linmin: converged after 15 iterations. iteration 1013: trace = 2.412629835985489 (6.32203e-08% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.412629835631574 (1.46693e-08% change) large trace change predicted (7.57536e-08%) linmin: converged after 19 iterations. iteration 1015: trace = 2.412629833803829 (7.57574e-08% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.412629832362236 (5.9752e-08% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.412629831910247 (1.87343e-08% change) large trace change predicted (7.29303e-08%) linmin: converged after 22 iterations. iteration 1018: trace = 2.412629830150612 (7.29343e-08% change) linmin: converged after 27 iterations. iteration 1019: trace = 2.412629829443364 (2.93144e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629828968342 (1.9689e-08% change) linmin: converged after 9 iterations. iteration 1021: trace = 2.412629828506349 (1.91489e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.412629827984003 (2.16505e-08% change) linmin: converged after 31 iterations. iteration 1023: trace = 2.412629827616924 (1.52149e-08% change) linmin: converged after 16 iterations. iteration 1024: trace = 2.412629827409932 (8.57949e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629827030375 (1.57321e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.412629826909312 (5.01787e-09% change) large trace change predicted (1.45454e-08%) linmin: converged after 4 iterations. iteration 1027: trace = 2.412629826558385 (1.45454e-08% change) linmin: converged after 27 iterations. iteration 1028: trace = 2.412629826249745 (1.27927e-08% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629826162839 (3.60211e-09% change) large trace change predicted (1.99901e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629825680554 (1.999e-08% change) linmin: converged after 13 iterations. iteration 1031: trace = 2.41262982547264 (8.6177e-09% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.412629825146364 (1.35237e-08% change) linmin: converged after 22 iterations. iteration 1033: trace = 2.412629824792251 (1.46775e-08% change) linmin: converged after 6 iterations. iteration 1034: trace = 2.412629824093842 (2.8948e-08% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.41262982367828 (1.72244e-08% change) large trace change predicted (4.03548e-08%) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629822704666 (4.03549e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.412629822310552 (1.63354e-08% change) large trace change predicted (7.0546e-08%) linmin: converged after 11 iterations. iteration 1038: trace = 2.412629820608553 (7.05454e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629819755971 (3.53383e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.412629819101847 (2.71125e-08% change) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629818478117 (2.58527e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.412629817860864 (2.55842e-08% change) linmin: converged after 34 iterations. iteration 1043: trace = 2.412629817739202 (5.04274e-09% change) large trace change predicted (2.31791e-08%) linmin: converged after 38 iterations. iteration 1044: trace = 2.412629817179984 (2.31788e-08% change) linmin: converged after 7 iterations. iteration 1045: trace = 2.412629817058231 (5.04646e-09% change) large trace change predicted (1.48557e-08%) linmin: converged after 24 iterations. iteration 1046: trace = 2.41262981669982 (1.48556e-08% change) linmin: converged after 14 iterations. iteration 1047: trace = 2.412629816529682 (7.05198e-09% change) linmin: converged after 6 iterations. iteration 1048: trace = 2.412629816447601 (3.40212e-09% change) large trace change predicted (1.03698e-08%) linmin: converged after 12 iterations. iteration 1049: trace = 2.412629816197413 (1.03699e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.412629815984674 (8.81769e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.412629815909481 (3.11667e-09% change) large trace change predicted (8.16028e-09%) linmin: converged after 4 iterations. iteration 1052: trace = 2.412629815712607 (8.16014e-09% change) linmin: converged after 2 iterations. iteration 1053: trace = 2.412629815440551 (1.12763e-08% change) linmin: converged after 22 iterations. iteration 1054: trace = 2.412629815353476 (3.60916e-09% change) large trace change predicted (2.10156e-08%) linmin: converged after 5 iterations. iteration 1055: trace = 2.412629814846445 (2.10157e-08% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.412629814710474 (5.63581e-09% change) large trace change predicted (1.94301e-08%) linmin: converged after 2 iterations. iteration 1057: trace = 2.412629814241695 (1.94302e-08% change) linmin: converged after 5 iterations. iteration 1058: trace = 2.412629813657432 (2.42169e-08% change) linmin: converged after 7 iterations. iteration 1059: trace = 2.412629813162883 (2.04983e-08% change) linmin: converged after 12 iterations. iteration 1060: trace = 2.412629812289742 (3.61904e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.412629811028063 (5.22948e-08% change) linmin: converged after 18 iterations. iteration 1062: trace = 2.412629810679151 (1.44619e-08% change) large trace change predicted (2.90844e-08%) linmin: converged after 32 iterations. iteration 1063: trace = 2.412629809977447 (2.90846e-08% change) linmin: converged after 11 iterations. iteration 1064: trace = 2.412629809486695 (2.0341e-08% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.412629809252496 (9.7072e-09% change) large trace change predicted (2.44557e-08%) linmin: converged after 24 iterations. iteration 1066: trace = 2.412629808662468 (2.44558e-08% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.412629808288325 (1.55077e-08% change) linmin: converged after 20 iterations. iteration 1068: trace = 2.412629808183221 (4.35642e-09% change) linmin: converged after 7 iterations. iteration 1069: trace = 2.412629808011935 (7.09954e-09% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.412629807738854 (1.13188e-08% change) linmin: converged after 2 iterations. iteration 1071: trace = 2.412629807677861 (2.52807e-09% change) large trace change predicted (1.5228e-08%) linmin: converged after 2 iterations. iteration 1072: trace = 2.412629807310466 (1.5228e-08% change) linmin: converged after 8 iterations. iteration 1073: trace = 2.412629807206427 (4.3123e-09% change) large trace change predicted (1.18308e-08%) linmin: converged after 32 iterations. iteration 1074: trace = 2.412629806920994 (1.18307e-08% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.412629806704846 (8.95906e-09% change) linmin: converged after 5 iterations. iteration 1076: trace = 2.412629806542727 (6.71959e-09% change) linmin: converged after 3 iterations. iteration 1077: trace = 2.412629806274798 (1.11052e-08% change) linmin: converged after 26 iterations. iteration 1078: trace = 2.412629805845823 (1.77804e-08% change) linmin: converged after 2 iterations. iteration 1079: trace = 2.412629805588176 (1.06791e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629805201436 (1.60298e-08% change) linmin: converged after 7 iterations. iteration 1081: trace = 2.41262980472553 (1.97256e-08% change) large trace change predicted (6.32318e-08%) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629803200066 (6.32283e-08% change) linmin: converged after 4 iterations. iteration 1083: trace = 2.412629802741909 (1.899e-08% change) large trace change predicted (5.37076e-08%) linmin: converged after 22 iterations. iteration 1084: trace = 2.412629801446201 (5.37052e-08% change) linmin: converged after 24 iterations. iteration 1085: trace = 2.412629800862739 (2.41837e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.412629800601384 (1.08328e-08% change) large trace change predicted (3.04478e-08%) linmin: converged after 10 iterations. iteration 1087: trace = 2.412629799866803 (3.04473e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629799350177 (2.14134e-08% change) linmin: converged after 29 iterations. iteration 1089: trace = 2.412629799225591 (5.1639e-09% change) large trace change predicted (1.89076e-08%) linmin: converged after 11 iterations. iteration 1090: trace = 2.412629798769434 (1.89071e-08% change) linmin: converged after 2 iterations. iteration 1091: trace = 2.412629798577574 (7.95231e-09% change) linmin: converged after 3 iterations. iteration 1092: trace = 2.412629798333592 (1.01127e-08% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.412629798124874 (8.65104e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.412629797939717 (7.67448e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.41262979777021 (7.02582e-09% change) large trace change predicted (1.5569e-08%) linmin: converged after 3 iterations. iteration 1096: trace = 2.412629797394588 (1.5569e-08% change) linmin: converged after 7 iterations. iteration 1097: trace = 2.412629797326813 (2.80918e-09% change) large trace change predicted (8.10864e-09%) linmin: converged after 4 iterations. iteration 1098: trace = 2.412629797131182 (8.10861e-09% change) linmin: converged after 25 iterations. iteration 1099: trace = 2.412629796756931 (1.55122e-08% change) linmin: converged after 11 iterations. iteration 1100: trace = 2.412629796595836 (6.67716e-09% change) large trace change predicted (1.55985e-08%) linmin: converged after 13 iterations. iteration 1101: trace = 2.412629796219503 (1.55985e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.41262979567259 (2.26687e-08% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.412629795547905 (5.168e-09% change) large trace change predicted (4.93729e-08%) linmin: converged after 2 iterations. iteration 1104: trace = 2.412629794356703 (4.93736e-08% change) linmin: converged after 22 iterations. iteration 1105: trace = 2.412629793449353 (3.76083e-08% change) linmin: converged after 32 iterations. iteration 1106: trace = 2.41262979269133 (3.1419e-08% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.412629791839958 (3.52881e-08% change) linmin: converged after 9 iterations. iteration 1108: trace = 2.412629790416732 (5.89906e-08% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.412629790204755 (8.78616e-09% change) large trace change predicted (2.22164e-08%) linmin: converged after 21 iterations. iteration 1110: trace = 2.412629789668755 (2.22164e-08% change) linmin: converged after 37 iterations. iteration 1111: trace = 2.412629789317712 (1.45502e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.412629789155554 (6.72119e-09% change) linmin: converged after 4 iterations. iteration 1113: trace = 2.412629788911368 (1.01212e-08% change) linmin: converged after 24 iterations. iteration 1114: trace = 2.412629788675285 (9.78527e-09% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.412629788600126 (3.11525e-09% change) large trace change predicted (1.42705e-08%) linmin: converged after 3 iterations. iteration 1116: trace = 2.41262978825583 (1.42706e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.41262978816116 (3.92394e-09% change) large trace change predicted (1.74541e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629787740058 (1.74541e-08% change) large trace change predicted (6.3657e-08%) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786204226 (6.3658e-08% change) resetting CG direction... linmin: converged after 30 iterations. iteration 1120: trace = 2.412629785285744 (3.80698e-08% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.412629784620151 (2.75879e-08% change) linmin: converged after 22 iterations. iteration 1122: trace = 2.412629784332103 (1.19391e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.412629784238997 (3.85913e-09% change) large trace change predicted (1.05024e-08%) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629783985613 (1.05024e-08% change) linmin: converged after 15 iterations. iteration 1125: trace = 2.412629783779505 (8.54288e-09% change) linmin: converged after 14 iterations. iteration 1126: trace = 2.412629783693836 (3.55088e-09% change) large trace change predicted (8.91197e-09%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629783478826 (8.91184e-09% change) linmin: converged after 19 iterations. iteration 1128: trace = 2.412629783185753 (1.21474e-08% change) linmin: converged after 6 iterations. iteration 1129: trace = 2.412629783091349 (3.91289e-09% change) large trace change predicted (2.23757e-08%) linmin: converged after 9 iterations. iteration 1130: trace = 2.412629782551514 (2.23754e-08% change) linmin: converged after 8 iterations. iteration 1131: trace = 2.412629782250037 (1.24958e-08% change) large trace change predicted (2.58146e-08%) linmin: converged after 3 iterations. iteration 1132: trace = 2.412629781627233 (2.58143e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629781118458 (2.1088e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629780624438 (2.04764e-08% change) linmin: converged after 27 iterations. iteration 1135: trace = 2.412629779799263 (3.42023e-08% change) linmin: converged after 5 iterations. iteration 1136: trace = 2.412629779002777 (3.30132e-08% change) linmin: converged after 6 iterations. iteration 1137: trace = 2.412629778802315 (8.30889e-09% change) linmin: converged after 30 iterations. iteration 1138: trace = 2.41262977864878 (6.36376e-09% change) large trace change predicted (1.44523e-08%) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629778300097 (1.44524e-08% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.41262977804243 (1.06799e-08% change) linmin: converged after 2 iterations. iteration 1141: trace = 2.412629777972584 (2.89497e-09% change) large trace change predicted (1.20991e-08%) linmin: converged after 2 iterations. iteration 1142: trace = 2.412629777680676 (1.20992e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.412629777627251 (2.21438e-09% change) large trace change predicted (6.60275e-09%) linmin: converged after 6 iterations. iteration 1144: trace = 2.412629777467953 (6.60269e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629777328626 (5.77491e-09% change) linmin: converged after 18 iterations. iteration 1146: trace = 2.412629777281504 (1.95315e-09% change) large trace change predicted (7.51945e-09%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629777100085 (7.51955e-09% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629776899561 (8.31141e-09% change) linmin: converged after 17 iterations. iteration 1149: trace = 2.412629776856743 (1.77475e-09% change) large trace change predicted (6.23329e-09%) linmin: converged after 6 iterations. iteration 1150: trace = 2.412629776706354 (6.23339e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629776455408 (1.04013e-08% change) linmin: converged after 3 iterations. iteration 1152: trace = 2.412629776329157 (5.23292e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.4126297760858 (1.00868e-08% change) large trace change predicted (2.52895e-08%) linmin: converged after 10 iterations. iteration 1154: trace = 2.412629775475638 (2.52903e-08% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.412629775355432 (4.98239e-09% change) large trace change predicted (3.10659e-08%) linmin: converged after 14 iterations. iteration 1156: trace = 2.412629774605901 (3.1067e-08% change) linmin: converged after 11 iterations. iteration 1157: trace = 2.412629774238465 (1.52297e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774098556 (5.79902e-09% change) large trace change predicted (2.37378e-08%) linmin: converged after 7 iterations. iteration 1159: trace = 2.412629773525842 (2.37382e-08% change) linmin: converged after 6 iterations. iteration 1160: trace = 2.41262977323481 (1.20628e-08% change) linmin: converged after 23 iterations. iteration 1161: trace = 2.4126297731781 (2.35057e-09% change) large trace change predicted (7.86384e-09%) linmin: converged after 6 iterations. iteration 1162: trace = 2.412629772988374 (7.86387e-09% change) linmin: converged after 10 iterations. iteration 1163: trace = 2.412629772801721 (7.73647e-09% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.412629772738612 (2.61578e-09% change) linmin: converged after 6 iterations. iteration 1165: trace = 2.412629772656318 (3.41096e-09% change) large trace change predicted (8.49693e-09%) linmin: converged after 29 iterations. iteration 1166: trace = 2.412629772451317 (8.49703e-09% change) linmin: converged after 6 iterations. iteration 1167: trace = 2.412629772424772 (1.10025e-09% change) large trace change predicted (6.62217e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.412629772265004 (6.62214e-09% change) linmin: converged after 12 iterations. iteration 1169: trace = 2.412629772217689 (1.96114e-09% change) linmin: converged after 22 iterations. iteration 1170: trace = 2.412629772171407 (1.91831e-09% change) large trace change predicted (4.56178e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629772061349 (4.56173e-09% change) linmin: converged after 3 iterations. iteration 1172: trace = 2.412629771978395 (3.43833e-09% change) linmin: converged after 23 iterations. iteration 1173: trace = 2.412629771870292 (4.48072e-09% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.412629771677091 (8.0079e-09% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629771578531 (4.08518e-09% change) linmin: converged after 24 iterations. iteration 1176: trace = 2.412629771400784 (7.36734e-09% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.412629771106779 (1.21861e-08% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629770816844 (1.20174e-08% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629770432511 (1.59301e-08% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.412629770139651 (1.21386e-08% change) linmin: converged after 4 iterations. iteration 1181: trace = 2.412629769998484 (5.85117e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.412629769799624 (8.24246e-09% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.412629769495837 (1.25915e-08% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.412629769466725 (1.20666e-09% change) large trace change predicted (7.2298e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629769292296 (7.22984e-09% change) linmin: converged after 9 iterations. iteration 1186: trace = 2.412629769190405 (4.22321e-09% change) linmin: converged after 20 iterations. iteration 1187: trace = 2.412629769163527 (1.11404e-09% change) large trace change predicted (3.41711e-09%) linmin: converged after 4 iterations. iteration 1188: trace = 2.412629769081087 (3.41705e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629769046571 (1.43064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1190: trace = 2.412629769024984 (8.94739e-10% change) large trace change predicted (3.7042e-09%) linmin: converged after 18 iterations. iteration 1191: trace = 2.412629768935619 (3.70405e-09% change) linmin: converged after 18 iterations. iteration 1192: trace = 2.412629768911174 (1.01321e-09% change) large trace change predicted (3.6588e-09%) linmin: converged after 3 iterations. iteration 1193: trace = 2.412629768822903 (3.65871e-09% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.412629768713915 (4.51741e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.412629768649593 (2.66605e-09% change) linmin: converged after 20 iterations. iteration 1196: trace = 2.412629768567772 (3.39137e-09% change) large trace change predicted (1.2651e-08%) linmin: converged after 26 iterations. iteration 1197: trace = 2.412629768262549 (1.2651e-08% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.412629768204813 (2.39306e-09% change) large trace change predicted (1.49944e-08%) linmin: converged after 4 iterations. iteration 1199: trace = 2.412629767843053 (1.49944e-08% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.412629767641397 (8.35839e-09% change) linmin: converged after 3 iterations. iteration 1201: trace = 2.412629767510981 (5.40554e-09% change) large trace change predicted (1.75094e-08%) linmin: converged after 20 iterations. iteration 1202: trace = 2.412629767088543 (1.75094e-08% change) linmin: converged after 5 iterations. iteration 1203: trace = 2.412629766844732 (1.01056e-08% change) linmin: converged after 22 iterations. iteration 1204: trace = 2.412629766789431 (2.29215e-09% change) large trace change predicted (7.40759e-09%) linmin: converged after 7 iterations. iteration 1205: trace = 2.412629766610714 (7.40754e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629766545879 (2.68733e-09% change) linmin: converged after 16 iterations. iteration 1207: trace = 2.412629766491425 (2.25703e-09% change) linmin: converged after 14 iterations. iteration 1208: trace = 2.412629766410604 (3.34994e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629766322941 (3.63349e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.412629766300547 (9.28202e-10% change) large trace change predicted (4.56964e-09%) linmin: converged after 27 iterations. iteration 1211: trace = 2.4126297661903 (4.56956e-09% change) linmin: converged after 28 iterations. iteration 1212: trace = 2.412629766159679 (1.26923e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.412629766107209 (2.17479e-09% change) large trace change predicted (6.15387e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629765958738 (6.15393e-09% change) linmin: converged after 15 iterations. iteration 1215: trace = 2.412629765937721 (8.71123e-10% change) large trace change predicted (6.05422e-09%) linmin: converged after 6 iterations. iteration 1216: trace = 2.412629765791655 (6.0542e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629765696566 (3.94133e-09% change) linmin: converged after 5 iterations. iteration 1218: trace = 2.412629765652163 (1.84041e-09% change) large trace change predicted (5.42084e-09%) linmin: converged after 4 iterations. iteration 1219: trace = 2.412629765521383 (5.42067e-09% change) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629765292854 (9.47217e-09% change) linmin: converged after 27 iterations. iteration 1221: trace = 2.412629764865739 (1.77033e-08% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.412629764759303 (4.41161e-09% change) large trace change predicted (8.85154e-09%) linmin: converged after 4 iterations. iteration 1223: trace = 2.412629764545749 (8.85149e-09% change) large trace change predicted (2.17488e-08%) linmin: converged after 4 iterations. iteration 1224: trace = 2.41262976402105 (2.1748e-08% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.412629763896617 (5.15758e-09% change) large trace change predicted (1.04014e-08%) linmin: converged after 10 iterations. iteration 1226: trace = 2.412629763645672 (1.04013e-08% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629763491985 (6.37011e-09% change) linmin: converged after 12 iterations. iteration 1228: trace = 2.41262976344217 (2.06477e-09% change) large trace change predicted (4.41001e-09%) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763335776 (4.40988e-09% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.412629763253042 (3.42922e-09% change) linmin: converged after 18 iterations. iteration 1231: trace = 2.412629763224399 (1.18719e-09% change) large trace change predicted (4.93031e-09%) linmin: converged after 6 iterations. iteration 1232: trace = 2.412629763105451 (4.93024e-09% change) linmin: converged after 2 iterations. iteration 1233: trace = 2.41262976305002 (2.29751e-09% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.412629762988576 (2.54679e-09% change) linmin: converged after 19 iterations. iteration 1235: trace = 2.412629762925001 (2.63507e-09% change) linmin: converged after 17 iterations. iteration 1236: trace = 2.412629762860254 (2.68368e-09% change) linmin: converged after 3 iterations. iteration 1237: trace = 2.412629762793069 (2.78472e-09% change) large trace change predicted (6.29148e-09%) linmin: converged after 12 iterations. iteration 1238: trace = 2.412629762641278 (6.2915e-09% change) linmin: converged after 20 iterations. iteration 1239: trace = 2.412629762605794 (1.4708e-09% change) large trace change predicted (6.40834e-09%) linmin: converged after 13 iterations. iteration 1240: trace = 2.412629762451185 (6.40831e-09% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.412629762323697 (5.28417e-09% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.41262976226478 (2.44206e-09% change) large trace change predicted (7.71381e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.412629762078673 (7.71385e-09% change) large trace change predicted (1.60411e-08%) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629761691659 (1.60411e-08% change) linmin: converged after 6 iterations. iteration 1245: trace = 2.412629761629774 (2.56505e-09% change) large trace change predicted (2.57066e-08%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761009558 (2.57071e-08% change) linmin: converged after 16 iterations. iteration 1247: trace = 2.412629760625591 (1.59149e-08% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.412629760544272 (3.37055e-09% change) linmin: converged after 5 iterations. iteration 1249: trace = 2.412629760413328 (5.42744e-09% change) linmin: converged after 3 iterations. iteration 1250: trace = 2.412629760264432 (6.1715e-09% change) linmin: converged after 6 iterations. iteration 1251: trace = 2.4126297602213 (1.78775e-09% change) large trace change predicted (5.26641e-09%) linmin: converged after 21 iterations. iteration 1252: trace = 2.412629760094243 (5.26637e-09% change) linmin: converged after 19 iterations. iteration 1253: trace = 2.412629760044959 (2.04274e-09% change) linmin: converged after 3 iterations. iteration 1254: trace = 2.412629759973019 (2.9818e-09% change) linmin: converged after 8 iterations. iteration 1255: trace = 2.412629759890832 (3.40652e-09% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.412629759817618 (3.03465e-09% change) linmin: converged after 2 iterations. iteration 1257: trace = 2.412629759793456 (1.00148e-09% change) large trace change predicted (1.76927e-08%) linmin: converged after 24 iterations. iteration 1258: trace = 2.412629759366595 (1.76927e-08% change) linmin: converged after 2 iterations. iteration 1259: trace = 2.412629758539749 (3.42716e-08% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1260: trace = 2.412629757814551 (3.00584e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629757475903 (1.40365e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.412629757440358 (1.4733e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629757391596 (2.02113e-09% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.412629757294078 (4.04196e-09% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.412629757279372 (6.09525e-10% change) large trace change predicted (3.28627e-09%) linmin: converged after 4 iterations. iteration 1266: trace = 2.412629757200087 (3.28627e-09% change) linmin: converged after 5 iterations. iteration 1267: trace = 2.412629757132211 (2.81338e-09% change) linmin: converged after 8 iterations. iteration 1268: trace = 2.412629757095654 (1.51522e-09% change) large trace change predicted (3.03193e-09%) linmin: converged after 23 iterations. iteration 1269: trace = 2.41262975702251 (3.03172e-09% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.412629756895682 (5.25685e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.412629756858187 (1.55409e-09% change) large trace change predicted (1.02554e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629756610763 (1.02554e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.41262975654644 (2.66612e-09% change) large trace change predicted (9.45677e-09%) linmin: converged after 15 iterations. iteration 1274: trace = 2.412629756318284 (9.4567e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.412629756161828 (6.48488e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.41262975592667 (9.74698e-09% change) linmin: converged after 17 iterations. iteration 1277: trace = 2.412629755840423 (3.57478e-09% change) linmin: converged after 21 iterations. iteration 1278: trace = 2.412629755705498 (5.59246e-09% change) linmin: converged after 5 iterations. iteration 1279: trace = 2.412629755648356 (2.36845e-09% change) linmin: converged after 2 iterations. iteration 1280: trace = 2.412629755578045 (2.91428e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.412629755509844 (2.82683e-09% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629755406726 (4.27409e-09% change) linmin: converged after 13 iterations. iteration 1283: trace = 2.412629755393111 (5.64354e-10% change) large trace change predicted (2.95764e-09%) linmin: converged after 4 iterations. iteration 1284: trace = 2.412629755321753 (2.95765e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629755294154 (1.14395e-09% change) linmin: converged after 25 iterations. iteration 1286: trace = 2.412629755282462 (4.84616e-10% change) large trace change predicted (2.30047e-09%) linmin: converged after 5 iterations. iteration 1287: trace = 2.412629755226958 (2.30058e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629755204038 (9.49996e-10% change) linmin: converged after 8 iterations. iteration 1289: trace = 2.41262975516616 (1.56998e-09% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.412629755112498 (2.22423e-09% change) linmin: converged after 19 iterations. iteration 1291: trace = 2.412629755075933 (1.51557e-09% change) linmin: converged after 10 iterations. iteration 1292: trace = 2.412629755033724 (1.7495e-09% change) large trace change predicted (3.91898e-09%) linmin: converged after 20 iterations. iteration 1293: trace = 2.412629754939174 (3.91895e-09% change) linmin: converged after 10 iterations. iteration 1294: trace = 2.412629754877637 (2.55064e-09% change) large trace change predicted (5.84573e-09%) linmin: converged after 8 iterations. iteration 1295: trace = 2.412629754736601 (5.84572e-09% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.412629754510858 (9.35674e-09% change) linmin: converged after 23 iterations. iteration 1297: trace = 2.412629754444356 (2.75641e-09% change) linmin: converged after 5 iterations. iteration 1298: trace = 2.41262975437153 (3.01852e-09% change) large trace change predicted (8.36449e-09%) linmin: converged after 14 iterations. iteration 1299: trace = 2.412629754169724 (8.36457e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.412629754144384 (1.0503e-09% change) large trace change predicted (3.95064e-09%) linmin: converged after 25 iterations. iteration 1301: trace = 2.412629754049071 (3.95059e-09% change) linmin: converged after 6 iterations. iteration 1302: trace = 2.412629753998836 (2.08216e-09% change) linmin: converged after 8 iterations. iteration 1303: trace = 2.41262975395666 (1.74815e-09% change) linmin: converged after 18 iterations. iteration 1304: trace = 2.412629753934212 (9.30411e-10% change) large trace change predicted (2.17887e-09%) linmin: converged after 27 iterations. iteration 1305: trace = 2.412629753881643 (2.17891e-09% change) linmin: converged after 20 iterations. iteration 1306: trace = 2.41262975385131 (1.25726e-09% change) linmin: converged after 33 iterations. iteration 1307: trace = 2.412629753796222 (2.28333e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.412629753756786 (1.63457e-09% change) linmin: converged after 17 iterations. iteration 1309: trace = 2.412629753743622 (5.45616e-10% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629753729929 (5.67538e-10% change) large trace change predicted (1.55783e-09%) linmin: converged after 4 iterations. iteration 1311: trace = 2.412629753692345 (1.55781e-09% change) linmin: converged after 9 iterations. iteration 1312: trace = 2.412629753684235 (3.36146e-10% change) large trace change predicted (1.9634e-09%) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629753636868 (1.96329e-09% change) linmin: converged after 16 iterations. iteration 1314: trace = 2.412629753584214 (2.18245e-09% change) linmin: converged after 9 iterations. iteration 1315: trace = 2.412629753562221 (9.11581e-10% change) large trace change predicted (2.65107e-09%) linmin: converged after 4 iterations. iteration 1316: trace = 2.412629753498263 (2.65095e-09% change) linmin: converged after 6 iterations. iteration 1317: trace = 2.412629753445835 (2.17306e-09% change) linmin: converged after 9 iterations. iteration 1318: trace = 2.412629753390819 (2.28035e-09% change) large trace change predicted (6.89292e-09%) linmin: converged after 12 iterations. iteration 1319: trace = 2.412629753224519 (6.89291e-09% change) linmin: converged after 24 iterations. iteration 1320: trace = 2.412629753099822 (5.16852e-09% change) linmin: converged after 15 iterations. iteration 1321: trace = 2.412629753058134 (1.72789e-09% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.412629752975014 (3.44519e-09% change) linmin: converged after 18 iterations. iteration 1323: trace = 2.41262975293754 (1.55326e-09% change) linmin: converged after 16 iterations. iteration 1324: trace = 2.41262975292436 (5.46279e-10% change) large trace change predicted (2.35618e-09%) linmin: converged after 23 iterations. iteration 1325: trace = 2.412629752867514 (2.35621e-09% change) linmin: converged after 8 iterations. iteration 1326: trace = 2.412629752848756 (7.77487e-10% change) linmin: converged after 7 iterations. iteration 1327: trace = 2.412629752826945 (9.04016e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629752800048 (1.11483e-09% change) linmin: converged after 6 iterations. iteration 1329: trace = 2.412629752795185 (2.01573e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629752790479 (1.95057e-10% change) large trace change predicted (9.55535e-10%) linmin: converged after 9 iterations. iteration 1331: trace = 2.412629752767428 (9.55445e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.412629752755273 (5.03814e-10% change) linmin: converged after 15 iterations. iteration 1333: trace = 2.412629752736632 (7.72609e-10% change) linmin: converged after 7 iterations. iteration 1334: trace = 2.412629752703226 (1.38466e-09% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.412629752678001 (1.04553e-09% change) linmin: converged after 7 iterations. iteration 1336: trace = 2.41262975265578 (9.21042e-10% change) large trace change predicted (3.37974e-09%) linmin: converged after 4 iterations. iteration 1337: trace = 2.41262975257424 (3.3797e-09% change) linmin: converged after 2 iterations. iteration 1338: trace = 2.412629752538839 (1.46732e-09% change) linmin: converged after 11 iterations. iteration 1339: trace = 2.412629752494285 (1.84672e-09% change) large trace change predicted (4.33282e-09%) linmin: converged after 9 iterations. iteration 1340: trace = 2.412629752389752 (4.33273e-09% change) linmin: converged after 12 iterations. iteration 1341: trace = 2.41262975227677 (4.68292e-09% change) linmin: converged after 10 iterations. iteration 1342: trace = 2.412629752216844 (2.48386e-09% change) linmin: converged after 21 iterations. iteration 1343: trace = 2.412629752136282 (3.33919e-09% change) linmin: converged after 9 iterations. iteration 1344: trace = 2.412629752115947 (8.42831e-10% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.412629752083479 (1.34574e-09% change) linmin: converged after 7 iterations. iteration 1346: trace = 2.412629752053459 (1.24428e-09% change) linmin: converged after 10 iterations. iteration 1347: trace = 2.412629752043635 (4.07196e-10% change) large trace change predicted (1.17762e-09%) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629752015224 (1.1776e-09% change) linmin: converged after 5 iterations. iteration 1349: trace = 2.41262975198604 (1.20966e-09% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.412629751981057 (2.06525e-10% change) large trace change predicted (7.71756e-10%) linmin: converged after 5 iterations. iteration 1351: trace = 2.412629751962437 (7.71781e-10% change) linmin: converged after 2 iterations. iteration 1352: trace = 2.412629751934784 (1.14618e-09% change) linmin: converged after 13 iterations. iteration 1353: trace = 2.412629751924951 (4.07565e-10% change) large trace change predicted (2.27047e-09%) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629751870173 (2.27045e-09% change) linmin: converged after 22 iterations. iteration 1355: trace = 2.41262975183336 (1.52585e-09% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629751817247 (6.67837e-10% change) linmin: converged after 7 iterations. iteration 1357: trace = 2.412629751788747 (1.18132e-09% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.412629751737714 (2.11522e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629751709765 (1.15844e-09% change) large trace change predicted (2.44778e-09%) linmin: converged after 5 iterations. iteration 1360: trace = 2.412629751650712 (2.44767e-09% change) large trace change predicted (6.15912e-09%) linmin: converged after 6 iterations. iteration 1361: trace = 2.412629751502116 (6.15908e-09% change) linmin: converged after 6 iterations. iteration 1362: trace = 2.412629751473994 (1.16563e-09% change) large trace change predicted (2.98533e-09%) linmin: converged after 6 iterations. iteration 1363: trace = 2.412629751401969 (2.98533e-09% change) linmin: converged after 23 iterations. iteration 1364: trace = 2.412629751273424 (5.32801e-09% change) linmin: converged after 5 iterations. iteration 1365: trace = 2.412629751242358 (1.28761e-09% change) large trace change predicted (3.23907e-09%) linmin: converged after 6 iterations. iteration 1366: trace = 2.412629751164213 (3.23904e-09% change) linmin: converged after 25 iterations. iteration 1367: trace = 2.412629751115151 (2.03352e-09% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.41262975109976 (6.37963e-10% change) linmin: converged after 13 iterations. iteration 1369: trace = 2.412629751074046 (1.06578e-09% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.412629751045275 (1.19254e-09% change) linmin: converged after 3 iterations. iteration 1371: trace = 2.412629751029682 (6.46301e-10% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.41262975101026 (8.05005e-10% change) linmin: converged after 17 iterations. iteration 1373: trace = 2.412629750975017 (1.46079e-09% change) linmin: converged after 13 iterations. iteration 1374: trace = 2.41262975096767 (3.04523e-10% change) large trace change predicted (6.34961e-10%) linmin: converged after 4 iterations. iteration 1375: trace = 2.41262975095235 (6.34981e-10% change) large trace change predicted (1.56294e-09%) linmin: converged after 4 iterations. iteration 1376: trace = 2.41262975091464 (1.56304e-09% change) linmin: converged after 13 iterations. iteration 1377: trace = 2.412629750907499 (2.95982e-10% change) large trace change predicted (2.51112e-09%) linmin: converged after 2 iterations. iteration 1378: trace = 2.412629750846915 (2.5111e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.412629750822372 (1.01727e-09% change) linmin: converged after 2 iterations. iteration 1380: trace = 2.412629750787525 (1.44437e-09% change) linmin: converged after 3 iterations. iteration 1381: trace = 2.412629750735961 (2.13724e-09% change) linmin: converged after 28 iterations. iteration 1382: trace = 2.412629750686041 (2.06911e-09% change) linmin: converged after 3 iterations. iteration 1383: trace = 2.412629750652544 (1.38839e-09% change) large trace change predicted (4.3807e-09%) linmin: converged after 25 iterations. iteration 1384: trace = 2.412629750546855 (4.38068e-09% change) linmin: converged after 7 iterations. iteration 1385: trace = 2.412629750387012 (6.62525e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.412629750366087 (8.67294e-10% change) large trace change predicted (4.27266e-09%) linmin: converged after 29 iterations. iteration 1387: trace = 2.412629750263004 (4.27265e-09% change) linmin: converged after 24 iterations. iteration 1388: trace = 2.412629750210093 (2.19308e-09% change) linmin: converged after 20 iterations. iteration 1389: trace = 2.412629750186037 (9.97081e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.412629750143495 (1.76332e-09% change) linmin: converged after 8 iterations. iteration 1391: trace = 2.412629750106079 (1.55081e-09% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.412629750095962 (4.19345e-10% change) large trace change predicted (1.1752e-09%) linmin: converged after 5 iterations. iteration 1393: trace = 2.412629750067611 (1.17513e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629750053986 (5.64704e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629750040806 (5.46297e-10% change) large trace change predicted (1.25483e-09%) linmin: converged after 6 iterations. iteration 1396: trace = 2.412629750010534 (1.25472e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.412629749969502 (1.70072e-09% change) linmin: converged after 10 iterations. iteration 1398: trace = 2.412629749905006 (2.67328e-09% change) large trace change predicted (3.49327e-08%) linmin: converged after 3 iterations. iteration 1399: trace = 2.412629749062203 (3.49329e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1400: trace = 2.412629748818978 (1.00813e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629748703175 (4.79984e-09% change) linmin: converged after 6 iterations. iteration 1402: trace = 2.412629748595444 (4.4653e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.412629748518818 (3.17603e-09% change) linmin: converged after 3 iterations. iteration 1404: trace = 2.412629748454176 (2.67934e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.412629748435982 (7.54129e-10% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.41262974840364 (1.3405e-09% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.412629748368111 (1.47266e-09% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.412629748346367 (9.01236e-10% change) linmin: converged after 2 iterations. iteration 1409: trace = 2.412629748310911 (1.46958e-09% change) linmin: converged after 15 iterations. iteration 1410: trace = 2.412629748288369 (9.34332e-10% change) linmin: converged after 17 iterations. iteration 1411: trace = 2.412629748277399 (4.54704e-10% change) linmin: converged after 7 iterations. iteration 1412: trace = 2.412629748257625 (8.1962e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629748254446 (1.31756e-10% change) large trace change predicted (2.789e-10%) linmin: converged after 13 iterations. iteration 1414: trace = 2.412629748247716 (2.78956e-10% change) large trace change predicted (1.31621e-09%) linmin: converged after 2 iterations. iteration 1415: trace = 2.412629748215961 (1.3162e-09% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629748204464 (4.76535e-10% change) large trace change predicted (1.73027e-09%) linmin: converged after 18 iterations. iteration 1417: trace = 2.412629748162717 (1.73032e-09% change) linmin: converged after 23 iterations. iteration 1418: trace = 2.412629748134357 (1.17552e-09% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.412629748083245 (2.11848e-09% change) linmin: converged after 14 iterations. iteration 1420: trace = 2.412629748043848 (1.63296e-09% change) linmin: converged after 20 iterations. iteration 1421: trace = 2.412629747987947 (2.31704e-09% change) linmin: converged after 12 iterations. iteration 1422: trace = 2.412629747971979 (6.61837e-10% change) large trace change predicted (1.37482e-09%) linmin: converged after 15 iterations. iteration 1423: trace = 2.412629747938809 (1.37486e-09% change) linmin: converged after 21 iterations. iteration 1424: trace = 2.412629747920434 (7.61584e-10% change) linmin: converged after 3 iterations. iteration 1425: trace = 2.412629747900895 (8.09883e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629747895985 (2.03506e-10% change) large trace change predicted (7.66327e-10%) linmin: converged after 8 iterations. iteration 1427: trace = 2.412629747877495 (7.66388e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629747874149 (1.38696e-10% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629747870973 (1.31627e-10% change) large trace change predicted (4.546e-10%) linmin: converged after 4 iterations. iteration 1430: trace = 2.412629747860004 (4.54668e-10% change) linmin: converged after 9 iterations. iteration 1431: trace = 2.412629747848362 (4.82517e-10% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.412629747843392 (2.06009e-10% change) large trace change predicted (7.64629e-10%) linmin: converged after 11 iterations. iteration 1433: trace = 2.412629747824942 (7.64713e-10% change) linmin: converged after 9 iterations. iteration 1434: trace = 2.412629747819464 (2.27067e-10% change) large trace change predicted (8.71153e-10%) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629747798447 (8.71123e-10% change) linmin: converged after 6 iterations. iteration 1436: trace = 2.412629747784376 (5.8324e-10% change) linmin: converged after 3 iterations. iteration 1437: trace = 2.412629747764643 (8.17909e-10% change) linmin: converged after 6 iterations. iteration 1438: trace = 2.412629747760028 (1.91247e-10% change) large trace change predicted (1.41585e-09%) linmin: converged after 5 iterations. iteration 1439: trace = 2.412629747725869 (1.41586e-09% change) linmin: converged after 7 iterations. iteration 1440: trace = 2.412629747707911 (7.44318e-10% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.412629747684258 (9.80404e-10% change) linmin: converged after 15 iterations. iteration 1442: trace = 2.412629747655675 (1.18474e-09% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.412629747617522 (1.58139e-09% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.412629747607043 (4.34328e-10% change) large trace change predicted (1.06005e-09%) linmin: converged after 15 iterations. iteration 1445: trace = 2.412629747581468 (1.06005e-09% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629747567704 (5.70484e-10% change) linmin: converged after 22 iterations. iteration 1447: trace = 2.412629747558015 (4.01601e-10% change) linmin: converged after 7 iterations. iteration 1448: trace = 2.412629747551829 (2.56389e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.412629747544262 (3.13634e-10% change) linmin: converged after 6 iterations. iteration 1450: trace = 2.412629747539715 (1.88468e-10% change) large trace change predicted (4.48538e-10%) linmin: converged after 2 iterations. iteration 1451: trace = 2.412629747528893 (4.48557e-10% change) linmin: converged after 4 iterations. iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 188.64310598373413 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507714551633548 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.48527977029592 (0.89865% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301122559681 (0.483148% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539232112235 (0.0712618% change) large trace change predicted (0.219366%) linmin: converged after 3 iterations. iteration 5: trace = 2.466060133847849 (0.221934% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464718420203901 (0.054422% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463636719395522 (0.043897% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594065362243 (0.0423307% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462287934541995 (0.012432% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461753185618692 (0.0217199% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461485402974851 (0.0108783% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461341152138847 (0.00586049% change) large trace change predicted (0.012983%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021024881487 (0.0130071% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940680168531 (0.00326474% change) large trace change predicted (0.00700935%) linmin: converged after 4 iterations. iteration 15: trace = 2.460768388846517 (0.00700128% change) linmin: converged after 4 iterations. iteration 16: trace = 2.46065647507257 (0.00454802% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572010614669 (0.00343266% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460447819716967 (0.00504736% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460370644233083 (0.00313669% change) large trace change predicted (0.00795705%) linmin: converged after 3 iterations. iteration 20: trace = 2.46017460068774 (0.00796837% change) linmin: converged after 3 iterations. iteration 21: trace = 2.45992055593473 (0.0103268% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459713842813738 (0.0084036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459366490491965 (0.0141227% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092658308015 (0.0111349% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458659817174203 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458376746196281 (0.0115139% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263627508388 (0.00460146% change) large trace change predicted (0.0113346%) linmin: converged after 4 iterations. iteration 28: trace = 2.457987269830834 (0.0112426% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457775312008254 (0.0086236% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457672500730186 (0.00418319% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457501693309859 (0.00695021% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457365668694102 (0.00553523% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457317190344751 (0.0019728% change) large trace change predicted (0.00496167%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195706844922 (0.00494387% change) linmin: converged after 4 iterations. iteration 35: trace = 2.45714422432063 (0.0020952% change) linmin: converged after 4 iterations. iteration 36: trace = 2.45708219454866 (0.0025245% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026720594834 (0.00225774% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456984567037049 (0.00171565% change) linmin: converged after 15 iterations. iteration 39: trace = 2.456939445048623 (0.0018365% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456869640059288 (0.00284118% change) linmin: converged after 3 iterations. iteration 41: trace = 2.456833157655992 (0.00148493% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456763705423465 (0.00282694% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456634692545203 (0.00525147% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456572871950935 (0.00251651% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461041145713 (0.00455241% change) large trace change predicted (0.00975498%) linmin: converged after 4 iterations. iteration 46: trace = 2.456218757351032 (0.00986361% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161867025414 (0.0023162% change) large trace change predicted (0.0100925%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911103666164 (0.0102101% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455767110949883 (0.00586328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455708319050391 (0.00239406% change) large trace change predicted (0.00907578%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484719350746 (0.00910572% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407549209439 (0.00314282% change) linmin: converged after 13 iterations. iteration 53: trace = 2.45534593290585 (0.00250944% change) large trace change predicted (0.0050887%) linmin: converged after 3 iterations. iteration 54: trace = 2.455220696591177 (0.00510069% change) linmin: converged after 4 iterations. iteration 55: trace = 2.455180284408074 (0.00164598% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132997929369 (0.00192601% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455083906425762 (0.00199957% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455066887770354 (0.000693203% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455040101706986 (0.00109106% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008609947706 (0.00128275% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454995317181518 (0.000541456% change) large trace change predicted (0.00171729%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953090393324 (0.00172005% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454877422579907 (0.0030823% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454855121962825 (0.000908425% change) large trace change predicted (0.00569416%) linmin: converged after 4 iterations. iteration 65: trace = 2.454715532943804 (0.0056864% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454625694251667 (0.00365991% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457607775767 (0.00202137% change) large trace change predicted (0.0062662%) linmin: converged after 4 iterations. iteration 68: trace = 2.454422750902177 (0.00624677% change) linmin: converged after 4 iterations. iteration 69: trace = 2.454354229883569 (0.00279178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327706739201 (0.00108066% change) linmin: converged after 5 iterations. iteration 71: trace = 2.454278091582933 (0.00202156% change) linmin: converged after 3 iterations. iteration 72: trace = 2.45424373064204 (0.00140005% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454222970770071 (0.00084588% change) linmin: converged after 4 iterations. iteration 74: trace = 2.454185533507981 (0.00152543% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454171305226925 (0.000579757% change) linmin: converged after 3 iterations. iteration 76: trace = 2.45415334717542 (0.000731739% change) linmin: converged after 3 iterations. iteration 77: trace = 2.45413605986308 (0.000704413% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128426043217 (0.00031106% change) linmin: converged after 3 iterations. iteration 79: trace = 2.454117302998195 (0.000453239% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454101532760824 (0.000642605% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096037606968 (0.000223917% change) large trace change predicted (0.000569323%) linmin: converged after 3 iterations. iteration 82: trace = 2.454082067399763 (0.000569262% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062987198802 (0.000777491% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454051739425085 (0.000458334% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031604529348 (0.000820479% change) linmin: converged after 17 iterations. iteration 86: trace = 2.454004746007284 (0.00109447% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991995852274 (0.000519567% change) large trace change predicted (0.00138546%) linmin: converged after 4 iterations. iteration 88: trace = 2.453958007958718 (0.00138501% change) linmin: converged after 7 iterations. iteration 89: trace = 2.453919475118923 (0.00157024% change) linmin: converged after 4 iterations. iteration 90: trace = 2.45389509654625 (0.000993459% change) linmin: converged after 5 iterations. iteration 91: trace = 2.453860912196914 (0.00139307% change) linmin: converged after 8 iterations. iteration 92: trace = 2.453828045147867 (0.00133941% change) linmin: converged after 3 iterations. iteration 93: trace = 2.45382085605784 (0.000292975% change) large trace change predicted (0.00127944%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789463063369 (0.00127936% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782532229236 (0.000282455% change) large trace change predicted (0.000822373%) linmin: converged after 4 iterations. iteration 96: trace = 2.453762367988812 (0.000821765% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746815140803 (0.000633839% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453734287686709 (0.000510545% change) linmin: converged after 13 iterations. iteration 99: trace = 2.453728236162154 (0.000246625% change) large trace change predicted (0.000526958%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715304161855 (0.000527036% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453709000793436 (0.000256891% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701670772158 (0.000298733% change) large trace change predicted (0.000652204%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685674496181 (0.000651926% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674834695103 (0.000441777% change) large trace change predicted (0.000946993%) linmin: converged after 4 iterations. iteration 105: trace = 2.453651609675684 (0.000946545% change) large trace change predicted (0.00211292%) linmin: converged after 3 iterations. iteration 106: trace = 2.45359960969257 (0.00211931% change) linmin: converged after 5 iterations. iteration 107: trace = 2.45358312717749 (0.000671771% change) large trace change predicted (0.00179328%) linmin: converged after 3 iterations. iteration 108: trace = 2.453538953603838 (0.00180039% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478212583598 (0.00247568% change) linmin: converged after 3 iterations. iteration 110: trace = 2.453465057397219 (0.000536187% change) large trace change predicted (0.00221868%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410536309189 (0.00222223% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453386131071423 (0.000994752% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376698178058 (0.000384485% change) large trace change predicted (0.00113233%) linmin: converged after 3 iterations. iteration 114: trace = 2.453348916706636 (0.00113238% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338668721301 (0.000417715% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332850971714 (0.00041409% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315900344541 (0.000513971% change) linmin: converged after 5 iterations. iteration 118: trace = 2.453302028512225 (0.000565434% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296318097463 (0.000232765% change) large trace change predicted (0.000597339%) linmin: converged after 3 iterations. iteration 120: trace = 2.453281660805391 (0.000597455% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275733121448 (0.000241623% change) linmin: converged after 3 iterations. iteration 122: trace = 2.453264048572746 (0.000476285% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247330884551 (0.000681449% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453237120368956 (0.000416205% change) large trace change predicted (0.00104381%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211463999542 (0.00104582% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453162178756833 (0.00200903% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453138441524889 (0.000967622% change) large trace change predicted (0.00310521%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061970998888 (0.0031173% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970240929354 (0.00373948% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952080637691 (0.000740342% change) linmin: converged after 4 iterations. iteration 131: trace = 2.452919428590261 (0.00133114% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289691913365 (0.000917664% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890157235454 (0.00027567% change) large trace change predicted (0.00125961%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859246188432 (0.0012602% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842821226226 (0.000669627% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452828921086942 (0.000566697% change) linmin: converged after 6 iterations. iteration 137: trace = 2.452814395156807 (0.000592213% change) linmin: converged after 11 iterations. iteration 138: trace = 2.452798068000915 (0.000665652% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783009252627 (0.000613944% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.452772927790512 (0.000411022% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765649094527 (0.000296754% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757495527033 (0.000332424% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452750554577612 (0.000282986% change) linmin: converged after 5 iterations. iteration 144: trace = 2.452740327764536 (0.000416954% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727668231187 (0.00051614% change) linmin: converged after 6 iterations. iteration 146: trace = 2.452721604178562 (0.000247237% change) large trace change predicted (0.000693753%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704589129357 (0.000693724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452684248854568 (0.000829303% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267614319453 (0.000330482% change) large trace change predicted (0.000964309%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652549290144 (0.00096197% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626803415319 (0.00104972% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452616705048951 (0.000411738% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596980902835 (0.000804211% change) linmin: converged after 9 iterations. iteration 154: trace = 2.452583108816331 (0.00056561% change) linmin: converged after 20 iterations. iteration 155: trace = 2.452578304129146 (0.000195903% change) linmin: converged after 4 iterations. iteration 156: trace = 2.45256876674269 (0.000388873% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452560262649758 (0.000346743% change) linmin: converged after 3 iterations. iteration 158: trace = 2.452558275638176 (8.10179e-05% change) large trace change predicted (0.000299932%) linmin: converged after 3 iterations. iteration 159: trace = 2.452550921985148 (0.000299836% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546610102247 (0.000175812% change) linmin: converged after 4 iterations. iteration 161: trace = 2.452544820292672 (7.29776e-05% change) large trace change predicted (0.000200659%) linmin: converged after 3 iterations. iteration 162: trace = 2.452539898709751 (0.000200673% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452536610230977 (0.000134085% change) linmin: converged after 3 iterations. iteration 164: trace = 2.452531722835503 (0.000199279% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526119860102 (0.000228457% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452518763737087 (0.000299941% change) linmin: converged after 7 iterations. iteration 167: trace = 2.452513062704793 (0.000232456% change) large trace change predicted (0.000772359%) linmin: converged after 3 iterations. iteration 168: trace = 2.452494092222757 (0.000773515% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452489305340419 (0.000195184% change) large trace change predicted (0.000667115%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472924104565 (0.000667945% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452456769929521 (0.000658691% change) linmin: converged after 3 iterations. iteration 172: trace = 2.45245074264355 (0.000245766% change) large trace change predicted (0.00062741%) linmin: converged after 3 iterations. iteration 173: trace = 2.452435341557268 (0.00062799% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422726674879 (0.000514383% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452419119529659 (0.000147085% change) large trace change predicted (0.000389908%) linmin: converged after 5 iterations. iteration 176: trace = 2.452409555498929 (0.000389984% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400310371281 (0.000376982% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397904127026 (9.8118e-05% change) large trace change predicted (0.000258068%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391574551021 (0.000258098% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387378243408 (0.000171111% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452386157536499 (4.97763e-05% change) large trace change predicted (0.000181182%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381714103697 (0.000181188% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452377832663401 (0.000158272% change) linmin: converged after 2 iterations. iteration 184: trace = 2.452376974923948 (3.49758e-05% change) large trace change predicted (0.000153338%) linmin: converged after 3 iterations. iteration 185: trace = 2.452373214647471 (0.000153332% change) linmin: converged after 12 iterations. iteration 186: trace = 2.452368906581191 (0.000175669% change) linmin: converged after 5 iterations. iteration 187: trace = 2.452367047636557 (7.5802e-05% change) large trace change predicted (0.000415294%) linmin: converged after 4 iterations. iteration 188: trace = 2.452356864268545 (0.000415247% change) linmin: converged after 5 iterations. iteration 189: trace = 2.452348944393626 (0.00032295% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452345788864918 (0.000128674% change) large trace change predicted (0.000553043%) linmin: converged after 6 iterations. iteration 191: trace = 2.45233223540891 (0.000552675% change) linmin: converged after 3 iterations. iteration 192: trace = 2.452324837424832 (0.000301672% change) linmin: converged after 3 iterations. iteration 193: trace = 2.452318319053605 (0.000265804% change) linmin: converged after 3 iterations. iteration 194: trace = 2.45231070137328 (0.000310632% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452305458110806 (0.000213809% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300587509159 (0.000198613% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452294091542742 (0.000264893% change) linmin: converged after 4 iterations. iteration 198: trace = 2.452292912070035 (4.80967e-05% change) large trace change predicted (0.000207507%) linmin: converged after 3 iterations. iteration 199: trace = 2.452287823960394 (0.000207484% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285260995919 (0.000104513% change) linmin: converged after 4 iterations. iteration 201: trace = 2.4522837884962 (6.0046e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.452281464401078 (9.47727e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.45227843727108 (0.000123441% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452277298708132 (4.64288e-05% change) large trace change predicted (0.000105064%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274721714739 (0.000105086% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269795239167 (0.000200894% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452267937130898 (7.5771e-05% change) large trace change predicted (0.000293161%) linmin: converged after 3 iterations. iteration 208: trace = 2.45226074358603 (0.000293343% change) linmin: converged after 3 iterations. iteration 209: trace = 2.452249802005526 (0.000446184% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452245457700151 (0.000177156% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452238289401174 (0.000292316% change) linmin: converged after 4 iterations. iteration 212: trace = 2.452234390465577 (0.000158995% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452232924507626 (5.97805e-05% change) large trace change predicted (0.000175069%) linmin: converged after 4 iterations. iteration 214: trace = 2.45222863148775 (0.000175066% change) linmin: converged after 5 iterations. iteration 215: trace = 2.452226721219942 (7.78993e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.45222534804256 (5.59972e-05% change) linmin: converged after 9 iterations. iteration 217: trace = 2.452222868519007 (0.000101113% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452220762859493 (8.58674e-05% change) linmin: converged after 7 iterations. iteration 219: trace = 2.452219636720598 (4.59232e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452217637205398 (8.1539e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452214951097599 (0.000109538% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452213930282483 (4.16283e-05% change) large trace change predicted (0.000173197%) linmin: converged after 3 iterations. iteration 223: trace = 2.452209680537733 (0.000173303% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452207756844769 (7.84474e-05% change) large trace change predicted (0.000170329%) linmin: converged after 4 iterations. iteration 225: trace = 2.452203577183352 (0.000170445% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452199205407226 (0.00017828% change) linmin: converged after 14 iterations. iteration 227: trace = 2.452195167792297 (0.000164653% change) linmin: converged after 3 iterations. iteration 228: trace = 2.45219226877402 (0.000118221% change) large trace change predicted (0.000333656%) linmin: converged after 5 iterations. iteration 229: trace = 2.452184081873663 (0.000333861% change) linmin: converged after 4 iterations. iteration 230: trace = 2.452181174446548 (0.000118565% change) linmin: converged after 3 iterations. iteration 231: trace = 2.45217666841967 (0.000183756% change) linmin: converged after 13 iterations. iteration 232: trace = 2.452169564390597 (0.000289703% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452168023595653 (6.2834e-05% change) large trace change predicted (0.000128892%) linmin: converged after 3 iterations. iteration 234: trace = 2.452164861203628 (0.000128963% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452162710524145 (8.77054e-05% change) linmin: converged after 13 iterations. iteration 236: trace = 2.452161604180763 (4.51171e-05% change) large trace change predicted (9.08194e-05%) linmin: converged after 3 iterations. iteration 237: trace = 2.452159376422024 (9.08488e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452156221407155 (0.000128663% change) linmin: converged after 4 iterations. iteration 239: trace = 2.452155384533807 (3.41281e-05% change) large trace change predicted (9.34824e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.452153091713957 (9.35023e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.452150426821385 (0.000108676% change) linmin: converged after 3 iterations. iteration 242: trace = 2.452149526342722 (3.6722e-05% change) large trace change predicted (0.000149021%) linmin: converged after 3 iterations. iteration 243: trace = 2.452145872560898 (0.000149003% change) linmin: converged after 5 iterations. iteration 244: trace = 2.45214298620249 (0.000117708% change) linmin: converged after 4 iterations. iteration 245: trace = 2.452141482734362 (6.13124e-05% change) large trace change predicted (0.00022647%) linmin: converged after 5 iterations. iteration 246: trace = 2.452135931910722 (0.000226367% change) linmin: converged after 4 iterations. iteration 247: trace = 2.452127131915843 (0.000358871% change) linmin: converged after 3 iterations. iteration 248: trace = 2.452124408591246 (0.00011106% change) large trace change predicted (0.000415328%) linmin: converged after 6 iterations. iteration 249: trace = 2.452114234002913 (0.00041493% change) linmin: converged after 3 iterations. iteration 250: trace = 2.452107914802179 (0.000257705% change) linmin: converged after 6 iterations. iteration 251: trace = 2.452104602178825 (0.000135093% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452098395005796 (0.000253137% change) linmin: converged after 3 iterations. iteration 253: trace = 2.45209443064365 (0.000161672% change) linmin: converged after 3 iterations. iteration 254: trace = 2.452092772278772 (6.76306e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.452090136890444 (0.000107475% change) linmin: converged after 3 iterations. iteration 256: trace = 2.452088641061405 (6.10022e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.452087588706631 (4.29167e-05% change) large trace change predicted (8.8259e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.452085424452013 (8.82618e-05% change) linmin: converged after 10 iterations. iteration 259: trace = 2.452084439140825 (4.01826e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.452083425783212 (4.13264e-05% change) large trace change predicted (0.000113263%) linmin: converged after 3 iterations. iteration 261: trace = 2.452080648183233 (0.000113275% change) linmin: converged after 3 iterations. iteration 262: trace = 2.4520794724905 (4.79468e-05% change) large trace change predicted (0.000152164%) linmin: converged after 3 iterations. iteration 263: trace = 2.452075740472779 (0.000152198% change) linmin: converged after 4 iterations. iteration 264: trace = 2.45207119873577 (0.00018522% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452068341076811 (0.000116541% change) linmin: converged after 4 iterations. iteration 266: trace = 2.452065201190418 (0.000128051% change) large trace change predicted (0.00034389%) linmin: converged after 3 iterations. iteration 267: trace = 2.452056759774224 (0.000344258% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452053194509233 (0.000145399% change) linmin: converged after 4 iterations. iteration 269: trace = 2.452047723607067 (0.000223115% change) linmin: converged after 5 iterations. iteration 270: trace = 2.452038853922894 (0.000361726% change) linmin: converged after 13 iterations. iteration 271: trace = 2.4520373990617 (5.93327e-05% change) large trace change predicted (0.000248269%) linmin: converged after 3 iterations. iteration 272: trace = 2.452031304744767 (0.000248541% change) linmin: converged after 4 iterations. iteration 273: trace = 2.452027971885439 (0.000135922% change) linmin: converged after 3 iterations. iteration 274: trace = 2.45202680788906 (4.74708e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452024540324916 (9.24772e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.45202209499959 (9.97268e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452021538766743 (2.26847e-05% change) large trace change predicted (0.000116655%) linmin: converged after 4 iterations. iteration 278: trace = 2.452018677919659 (0.000116673% change) linmin: converged after 3 iterations. iteration 279: trace = 2.452014190357183 (0.000183015% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.45201075481463 (0.000140111% change) linmin: converged after 2 iterations. iteration 281: trace = 2.452008901592415 (7.55797e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452007292555813 (6.56212e-05% change) linmin: converged after 5 iterations. iteration 283: trace = 2.452006558444449 (2.99392e-05% change) large trace change predicted (9.44662e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.452004242936367 (9.44332e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.452003286760036 (3.89957e-05% change) large trace change predicted (7.91395e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452001347150246 (7.91031e-05% change) large trace change predicted (0.000166942%) linmin: converged after 4 iterations. iteration 287: trace = 2.451997258366128 (0.000166753% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995532160505 (7.04e-05% change) large trace change predicted (0.000147482%) linmin: converged after 4 iterations. iteration 289: trace = 2.451991921852341 (0.00014724% change) linmin: converged after 3 iterations. iteration 290: trace = 2.451986673104741 (0.000214061% change) linmin: converged after 27 iterations. iteration 291: trace = 2.451984254947535 (9.86204e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.4519805314833 (0.000151855% change) linmin: converged after 4 iterations. iteration 293: trace = 2.45197502893073 (0.000224413% change) linmin: converged after 4 iterations. iteration 294: trace = 2.451974197928204 (3.38912e-05% change) large trace change predicted (0.000134969%) linmin: converged after 3 iterations. iteration 295: trace = 2.451970890075463 (0.000134906% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451969462637186 (5.8216e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451968793048388 (2.73082e-05% change) large trace change predicted (7.04748e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.451967065141929 (7.04702e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451965799783021 (5.16059e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.451965354926958 (1.81428e-05% change) large trace change predicted (4.14451e-05%) linmin: converged after 4 iterations. iteration 301: trace = 2.451964338537992 (4.1452e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.451963626062085 (2.90574e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.45196286090635 (3.12058e-05% change) large trace change predicted (7.04866e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451961132076766 (7.0508e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451960060694344 (4.36949e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.45195929368572 (3.12815e-05% change) large trace change predicted (0.000111025%) linmin: converged after 3 iterations. iteration 307: trace = 2.451956570051481 (0.00011108% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953818305342 (0.000112227% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451951653626621 (8.82839e-05% change) large trace change predicted (0.000184665%) linmin: converged after 4 iterations. iteration 310: trace = 2.451947121582508 (0.000184834% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945166011394 (7.97559e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451942435218912 (0.000111373% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939405208457 (0.000123576% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938634410761 (3.14363e-05% change) large trace change predicted (7.13993e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936883520887 (7.14084e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935333125655 (6.32315e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934772183667 (2.28775e-05% change) large trace change predicted (5.68182e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.45193337891416 (5.68233e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.451932197398721 (4.81871e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.451931697025995 (2.04073e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451931013561718 (2.78745e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451930073490786 (3.834e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.4519298008317 (1.11202e-05% change) large trace change predicted (4.21488e-05%) linmin: converged after 3 iterations. iteration 324: trace = 2.451928767419563 (4.21469e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.451927902052323 (3.52933e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451927460932055 (1.79908e-05% change) large trace change predicted (5.36764e-05%) linmin: converged after 4 iterations. iteration 327: trace = 2.451926145023389 (5.36684e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924454118065 (6.89624e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.45192343736788 (4.14674e-05% change) large trace change predicted (8.71433e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.45192130196901 (8.70908e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.451918670153966 (0.000107337% change) linmin: converged after 4 iterations. iteration 332: trace = 2.45191779130337 (3.58434e-05% change) large trace change predicted (9.23841e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915526678028 (9.23614e-05% change) linmin: converged after 3 iterations. iteration 334: trace = 2.451914426183707 (4.48831e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451913409272041 (4.14742e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.451912256784357 (4.70036e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451911186131378 (4.3666e-05% change) linmin: converged after 2 iterations. iteration 338: trace = 2.451910850466922 (1.36899e-05% change) large trace change predicted (3.93869e-05%) linmin: converged after 4 iterations. iteration 339: trace = 2.451909884741904 (3.93866e-05% change) linmin: converged after 3 iterations. iteration 340: trace = 2.45190963707967 (1.01008e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.451909148391919 (1.99309e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.45190827063069 (3.57991e-05% change) linmin: converged after 7 iterations. iteration 343: trace = 2.451908059504865 (8.61067e-06% change) large trace change predicted (2.6893e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907399998265 (2.68977e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906785418745 (2.50654e-05% change) linmin: converged after 2 iterations. iteration 346: trace = 2.451906437789964 (1.41779e-05% change) large trace change predicted (5.58343e-05%) linmin: converged after 3 iterations. iteration 347: trace = 2.451905068455477 (5.58478e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903121715061 (7.93971e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902337095938 (3.20004e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901626083527 (2.89984e-05% change) large trace change predicted (6.42866e-05%) linmin: converged after 3 iterations. iteration 351: trace = 2.451900049769866 (6.42895e-05% change) linmin: converged after 2 iterations. iteration 352: trace = 2.451899136573584 (3.72444e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.451898736850383 (1.63026e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.451897946694063 (3.22263e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.45189747184642 (1.93665e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451897220646099 (1.02451e-05% change) large trace change predicted (2.44861e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896620201119 (2.4489e-05% change) linmin: converged after 3 iterations. iteration 358: trace = 2.451896058080836 (2.29259e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.451895837264319 (9.00595e-06% change) large trace change predicted (2.84087e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.451895140561287 (2.84149e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.45189474102638 (1.62949e-05% change) linmin: converged after 2 iterations. iteration 362: trace = 2.451894419082622 (1.31304e-05% change) large trace change predicted (3.94816e-05%) linmin: converged after 5 iterations. iteration 363: trace = 2.451893450703638 (3.94951e-05% change) linmin: converged after 4 iterations. iteration 364: trace = 2.451892570126811 (3.59142e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.45189181747914 (3.06966e-05% change) large trace change predicted (6.43709e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890238485002 (6.4399e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889616372384 (2.53728e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.45188877755701 (3.4211e-05% change) large trace change predicted (8.5513e-05%) linmin: converged after 4 iterations. iteration 369: trace = 2.451886679515175 (8.55684e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885786404943 (3.64254e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451884655995135 (4.61037e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451883546120951 (4.52662e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.451883232411078 (1.27946e-05% change) large trace change predicted (3.61962e-05%) linmin: converged after 4 iterations. iteration 374: trace = 2.451882344780096 (3.6202e-05% change) linmin: converged after 2 iterations. iteration 375: trace = 2.451881779695219 (2.3047e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881401859591 (1.541e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881173998864 (9.2933e-06% change) large trace change predicted (3.17815e-05%) linmin: converged after 5 iterations. iteration 378: trace = 2.451880394664437 (3.17852e-05% change) linmin: converged after 2 iterations. iteration 379: trace = 2.45187989190943 (2.05049e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451879518512381 (1.5229e-05% change) linmin: converged after 3 iterations. iteration 381: trace = 2.45187880705943 (2.90166e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878318476758 (1.99269e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877773854073 (2.22125e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.451876824144952 (3.8734e-05% change) linmin: converged after 3 iterations. iteration 385: trace = 2.451876293493401 (2.16427e-05% change) linmin: converged after 8 iterations. iteration 386: trace = 2.451875369938492 (3.76673e-05% change) large trace change predicted (7.75821e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.451873468799276 (7.75382e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451872590224089 (3.58328e-05% change) large trace change predicted (9.50571e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.4518702615096 (9.4977e-05% change) linmin: converged after 5 iterations. iteration 390: trace = 2.451868461088069 (7.34306e-05% change) linmin: converged after 5 iterations. iteration 391: trace = 2.451867700627981 (3.10155e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866708220177 (4.04756e-05% change) linmin: converged after 3 iterations. iteration 393: trace = 2.451865652586429 (4.30543e-05% change) linmin: converged after 2 iterations. iteration 394: trace = 2.451865445386099 (8.45072e-06% change) large trace change predicted (2.50549e-05%) linmin: converged after 3 iterations. iteration 395: trace = 2.451864831127395 (2.50527e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864349760831 (1.96327e-05% change) linmin: converged after 26 iterations. iteration 397: trace = 2.451864235719919 (4.65119e-06% change) large trace change predicted (2.47964e-05%) linmin: converged after 4 iterations. iteration 398: trace = 2.451863627785021 (2.47948e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863327607461 (1.22428e-05% change) linmin: converged after 3 iterations. iteration 400: trace = 2.451862913876871 (1.68741e-05% change) linmin: converged after 4 iterations. iteration 401: trace = 2.451862423737383 (1.99905e-05% change) linmin: converged after 4 iterations. iteration 402: trace = 2.451862008156571 (1.69496e-05% change) linmin: converged after 3 iterations. iteration 403: trace = 2.451861297761305 (2.89737e-05% change) large trace change predicted (6.03586e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451859816778514 (6.04024e-05% change) linmin: converged after 5 iterations. iteration 405: trace = 2.451858559069839 (5.12961e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.451857891199748 (2.72393e-05% change) large trace change predicted (6.38229e-05%) linmin: converged after 3 iterations. iteration 407: trace = 2.45185632544231 (6.38601e-05% change) linmin: converged after 4 iterations. iteration 408: trace = 2.451854711796361 (6.58133e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.45185402817143 (2.7882e-05% change) large trace change predicted (6.46259e-05%) linmin: converged after 3 iterations. iteration 410: trace = 2.451852442859669 (6.46577e-05% change) linmin: converged after 4 iterations. iteration 411: trace = 2.451851775392176 (2.7223e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451851127465782 (2.6426e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451850087175804 (4.24288e-05% change) linmin: converged after 9 iterations. iteration 414: trace = 2.451849911033916 (7.18404e-06% change) large trace change predicted (2.51613e-05%) linmin: converged after 4 iterations. iteration 415: trace = 2.451849293949703 (2.51681e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.451848943707893 (1.42848e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.451848710098085 (9.5279e-06% change) large trace change predicted (2.10239e-05%) linmin: converged after 3 iterations. iteration 418: trace = 2.45184819456945 (2.10261e-05% change) large trace change predicted (0.000188518%) linmin: converged after 3 iterations. iteration 419: trace = 2.451843571620683 (0.00018855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451841487273947 (8.50114e-05% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451839976121697 (6.16334e-05% change) linmin: converged after 3 iterations. iteration 422: trace = 2.451839314114376 (2.70004e-05% change) linmin: converged after 4 iterations. iteration 423: trace = 2.451839054914111 (1.05717e-05% change) linmin: converged after 3 iterations. iteration 424: trace = 2.451838742425517 (1.27451e-05% change) linmin: converged after 7 iterations. iteration 425: trace = 2.451838400153158 (1.39598e-05% change) linmin: converged after 3 iterations. iteration 426: trace = 2.451838201057432 (8.12026e-06% change) large trace change predicted (2.04897e-05%) linmin: converged after 3 iterations. iteration 427: trace = 2.451837698796881 (2.04851e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.451837481919144 (8.84552e-06% change) large trace change predicted (3.05073e-05%) linmin: converged after 4 iterations. iteration 429: trace = 2.451836734163764 (3.04978e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451835936235739 (3.25441e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451835185942234 (3.06013e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451834525078679 (2.69538e-05% change) large trace change predicted (5.9575e-05%) linmin: converged after 3 iterations. iteration 433: trace = 2.451833065357541 (5.95359e-05% change) linmin: converged after 8 iterations. iteration 434: trace = 2.451832734050241 (1.35126e-05% change) linmin: converged after 3 iterations. iteration 435: trace = 2.451832149791729 (2.38295e-05% change) linmin: converged after 4 iterations. iteration 436: trace = 2.451831313054189 (3.4127e-05% change) linmin: converged after 3 iterations. iteration 437: trace = 2.451831144753733 (6.86428e-06% change) large trace change predicted (1.89495e-05%) linmin: converged after 4 iterations. iteration 438: trace = 2.451830680221672 (1.89463e-05% change) linmin: converged after 3 iterations. iteration 439: trace = 2.451830279374053 (1.63489e-05% change) linmin: converged after 4 iterations. iteration 440: trace = 2.451829954213735 (1.32619e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451829747917543 (8.41397e-06% change) linmin: converged after 8 iterations. iteration 442: trace = 2.45182942913199 (1.30019e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451829344579854 (3.44853e-06% change) large trace change predicted (1.20307e-05%) linmin: converged after 6 iterations. iteration 444: trace = 2.451829049585355 (1.20316e-05% change) linmin: converged after 4 iterations. iteration 445: trace = 2.45182882275353 (9.25154e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.451828710478946 (4.57922e-06% change) large trace change predicted (1.8046e-05%) linmin: converged after 4 iterations. iteration 447: trace = 2.451828267951997 (1.80489e-05% change) linmin: converged after 4 iterations. iteration 448: trace = 2.451827859086309 (1.6676e-05% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451827704537776 (6.3034e-06% change) large trace change predicted (2.59966e-05%) linmin: converged after 4 iterations. iteration 450: trace = 2.451827067038046 (2.6001e-05% change) linmin: converged after 4 iterations. iteration 451: trace = 2.451826123510454 (3.84826e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451825857654383 (1.08432e-05% change) large trace change predicted (4.34736e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.45182479109769 (4.35005e-05% change) linmin: converged after 4 iterations. iteration 454: trace = 2.45182429282768 (2.03224e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451824028134613 (1.07958e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451823712849073 (1.28592e-05% change) linmin: converged after 4 iterations. iteration 457: trace = 2.451823254502712 (1.86941e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451823062649151 (7.82493e-06% change) large trace change predicted (1.64623e-05%) linmin: converged after 3 iterations. iteration 459: trace = 2.451822658887967 (1.64678e-05% change) linmin: converged after 2 iterations. iteration 460: trace = 2.451822526439577 (5.40204e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.451822336459144 (7.74854e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451822084284924 (1.02852e-05% change) linmin: converged after 3 iterations. iteration 463: trace = 2.451822011646269 (2.96264e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.451821904237058 (4.38079e-06% change) linmin: converged after 2 iterations. iteration 465: trace = 2.451821699544684 (8.34858e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451821547178686 (6.2144e-06% change) linmin: converged after 6 iterations. iteration 467: trace = 2.451821376475728 (6.96229e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.451821040671764 (1.36961e-05% change) linmin: converged after 3 iterations. iteration 469: trace = 2.45182080693343 (9.53325e-06% change) linmin: converged after 4 iterations. iteration 470: trace = 2.4518205215002 (1.16417e-05% change) large trace change predicted (2.63546e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.45181987548071 (2.63486e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451819408860605 (1.90316e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451819126855167 (1.15019e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451818658754745 (1.9092e-05% change) linmin: converged after 5 iterations. iteration 475: trace = 2.451818394563479 (1.07753e-05% change) linmin: converged after 18 iterations. iteration 476: trace = 2.451818116179429 (1.13542e-05% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451817781654802 (1.36439e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451817681110296 (4.10081e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451817552578524 (5.24231e-06% change) linmin: converged after 19 iterations. iteration 480: trace = 2.451817332535152 (8.9747e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451817297043988 (1.44755e-06% change) large trace change predicted (8.02481e-06%) linmin: converged after 2 iterations. iteration 482: trace = 2.451817100288909 (8.02487e-06% change) linmin: converged after 7 iterations. iteration 483: trace = 2.451816974162871 (5.14419e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.451816925474987 (1.98579e-06% change) large trace change predicted (5.20292e-06%) linmin: converged after 2 iterations. iteration 485: trace = 2.45181679790735 (5.20298e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.451816582759446 (8.77504e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.451816497251044 (3.48755e-06% change) large trace change predicted (9.35672e-06%) linmin: converged after 18 iterations. iteration 488: trace = 2.451816267845393 (9.35656e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.451815875725539 (1.5993e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.451815757819901 (4.80891e-06% change) large trace change predicted (1.10512e-05%) linmin: converged after 2 iterations. iteration 491: trace = 2.451815486861406 (1.10513e-05% change) linmin: converged after 3 iterations. iteration 492: trace = 2.451815280756068 (8.40623e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.451815194923169 (3.50079e-06% change) large trace change predicted (7.35121e-06%) linmin: converged after 7 iterations. iteration 494: trace = 2.451815014697793 (7.35069e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451814894361656 (4.90804e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451814850871355 (1.7738e-06% change) large trace change predicted (4.50328e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.45181474045643 (4.5034e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.451814610526366 (5.29934e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.451814567841736 (1.74094e-06% change) large trace change predicted (6.83787e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.451814400186214 (6.83802e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.451814272915252 (5.19089e-06% change) linmin: converged after 2 iterations. iteration 502: trace = 2.45181419266202 (3.27322e-06% change) large trace change predicted (8.56711e-06%) linmin: converged after 24 iterations. iteration 503: trace = 2.45181398260356 (8.56747e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.451813704811319 (1.13301e-05% change) linmin: converged after 4 iterations. iteration 505: trace = 2.451813596654659 (4.41129e-06% change) large trace change predicted (1.8288e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451813148189388 (1.82912e-05% change) linmin: converged after 22 iterations. iteration 507: trace = 2.451812965690427 (7.44343e-06% change) linmin: converged after 2 iterations. iteration 508: trace = 2.451812761950807 (8.30975e-06% change) large trace change predicted (2.09791e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451812247462067 (2.0984e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451811966755929 (1.14489e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.451811851242338 (4.71136e-06% change) large trace change predicted (1.00995e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451811603602493 (1.01003e-05% change) linmin: converged after 5 iterations. iteration 513: trace = 2.451811507357846 (3.92545e-06% change) linmin: converged after 20 iterations. iteration 514: trace = 2.451811334433819 (7.05291e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.451811191640094 (5.82401e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.451811130732174 (2.4842e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451811047301646 (3.40281e-06% change) linmin: converged after 2 iterations. iteration 518: trace = 2.451810891815008 (6.34171e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.451810816631979 (3.06643e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451810695082755 (4.95753e-06% change) linmin: converged after 3 iterations. iteration 521: trace = 2.45181049319669 (8.23416e-06% change) linmin: converged after 3 iterations. iteration 522: trace = 2.451810268505231 (9.16431e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.45181019367532 (3.05203e-06% change) large trace change predicted (8.52331e-06%) linmin: converged after 3 iterations. iteration 524: trace = 2.451809984726808 (8.52221e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.451809780364004 (8.33518e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.451809671650246 (4.43402e-06% change) large trace change predicted (2.12798e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451809150137006 (2.12705e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.45180874197214 (1.66475e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451808417499351 (1.3234e-05% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451808030250102 (1.57944e-05% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451807807831868 (9.0716e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451807742759107 (2.65407e-06% change) large trace change predicted (9.27794e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.451807515300582 (9.27718e-06% change) linmin: converged after 6 iterations. iteration 534: trace = 2.451807415467064 (4.07183e-06% change) linmin: converged after 5 iterations. iteration 535: trace = 2.451807346960127 (2.79414e-06% change) large trace change predicted (5.71938e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451807206736129 (5.71921e-06% change) linmin: converged after 12 iterations. iteration 537: trace = 2.451807086805041 (4.89154e-06% change) linmin: converged after 8 iterations. iteration 538: trace = 2.451807031148672 (2.27001e-06% change) large trace change predicted (7.12219e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.451806856509571 (7.12287e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451806796843032 (2.43357e-06% change) large trace change predicted (6.7709e-06%) linmin: converged after 4 iterations. iteration 541: trace = 2.451806630809242 (6.7719e-06% change) linmin: converged after 5 iterations. iteration 542: trace = 2.451806452505993 (7.27232e-06% change) linmin: converged after 16 iterations. iteration 543: trace = 2.451806368758432 (3.41575e-06% change) large trace change predicted (1.23699e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451806065324214 (1.23759e-05% change) linmin: converged after 3 iterations. iteration 545: trace = 2.451805739861479 (1.32744e-05% change) linmin: converged after 5 iterations. iteration 546: trace = 2.451805601881059 (5.62771e-06% change) large trace change predicted (1.68905e-05%) linmin: converged after 3 iterations. iteration 547: trace = 2.451805187663824 (1.68944e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451804745230315 (1.80452e-05% change) linmin: converged after 3 iterations. iteration 549: trace = 2.451804599592704 (5.94002e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451804373046908 (9.23996e-06% change) linmin: converged after 3 iterations. iteration 551: trace = 2.451804158093567 (8.76715e-06% change) linmin: converged after 2 iterations. iteration 552: trace = 2.451804068334619 (3.66093e-06% change) linmin: converged after 3 iterations. iteration 553: trace = 2.451803927634026 (5.73866e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451803805504083 (4.98123e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451803760167925 (1.84909e-06% change) large trace change predicted (3.96563e-06%) linmin: converged after 4 iterations. iteration 556: trace = 2.451803662939658 (3.96558e-06% change) linmin: converged after 3 iterations. iteration 557: trace = 2.451803472511807 (7.76685e-06% change) linmin: converged after 3 iterations. iteration 558: trace = 2.451803406365509 (2.69786e-06% change) large trace change predicted (3.46964e-05%) linmin: converged after 3 iterations. iteration 559: trace = 2.451802555696506 (3.46957e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.451801982548152 (2.33766e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.451801906952554 (3.08327e-06% change) large trace change predicted (8.84622e-06%) linmin: converged after 8 iterations. iteration 562: trace = 2.451801690096094 (8.84478e-06% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451801613985753 (3.10426e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451801571639047 (1.72717e-06% change) large trace change predicted (5.19395e-06%) linmin: converged after 3 iterations. iteration 565: trace = 2.451801444315304 (5.19307e-06% change) linmin: converged after 23 iterations. iteration 566: trace = 2.451801359505677 (3.45907e-06% change) linmin: converged after 2 iterations. iteration 567: trace = 2.451801310782897 (1.98722e-06% change) large trace change predicted (8.99797e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.451801090196141 (8.99693e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451801002373334 (3.58197e-06% change) linmin: converged after 3 iterations. iteration 570: trace = 2.451800895528208 (4.35782e-06% change) large trace change predicted (9.24043e-06%) linmin: converged after 3 iterations. iteration 571: trace = 2.451800669005973 (9.23901e-06% change) linmin: converged after 3 iterations. iteration 572: trace = 2.451800475143845 (7.90693e-06% change) linmin: converged after 2 iterations. iteration 573: trace = 2.451800397611408 (3.16227e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451800250724628 (5.99098e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451800097856249 (6.23494e-06% change) linmin: converged after 4 iterations. iteration 576: trace = 2.451799981080339 (4.76286e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799778162104 (8.2763e-06% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451799650819622 (5.19384e-06% change) linmin: converged after 2 iterations. iteration 579: trace = 2.45179958082181 (2.85496e-06% change) large trace change predicted (7.39521e-06%) linmin: converged after 16 iterations. iteration 580: trace = 2.451799399541025 (7.39379e-06% change) linmin: converged after 2 iterations. iteration 581: trace = 2.451799337883764 (2.51478e-06% change) linmin: converged after 4 iterations. iteration 582: trace = 2.45179926618354 (2.92439e-06% change) linmin: converged after 7 iterations. iteration 583: trace = 2.451799194783086 (2.91217e-06% change) linmin: converged after 12 iterations. iteration 584: trace = 2.451799169243016 (1.04169e-06% change) linmin: converged after 8 iterations. iteration 585: trace = 2.451799126081373 (1.76041e-06% change) linmin: converged after 2 iterations. iteration 586: trace = 2.451799056584404 (2.83453e-06% change) linmin: converged after 5 iterations. iteration 587: trace = 2.451799037591654 (7.74645e-07% change) large trace change predicted (2.58954e-06%) linmin: converged after 3 iterations. iteration 588: trace = 2.451798974098954 (2.58964e-06% change) linmin: converged after 5 iterations. iteration 589: trace = 2.451798865056575 (4.44744e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.451798815752565 (2.01093e-06% change) large trace change predicted (6.75032e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.45179865020752 (6.75198e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451798392978084 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 593: trace = 2.451798341014076 (2.11942e-06% change) large trace change predicted (5.91559e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451798195958455 (5.9163e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.451798053437744 (5.81291e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451797948203541 (4.29212e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.451797812823868 (5.52165e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797667765789 (5.9164e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451797613208867 (2.22518e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451797573279094 (1.62859e-06% change) linmin: converged after 3 iterations. iteration 601: trace = 2.451797511405647 (2.5236e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.451797495827575 (6.35374e-07% change) linmin: converged after 22 iterations. iteration 603: trace = 2.451797468701521 (1.10637e-06% change) linmin: converged after 2 iterations. iteration 604: trace = 2.451797425297661 (1.77029e-06% change) linmin: converged after 16 iterations. iteration 605: trace = 2.451797413176967 (4.9436e-07% change) large trace change predicted (2.21362e-06%) linmin: converged after 22 iterations. iteration 606: trace = 2.451797358904964 (2.21356e-06% change) linmin: converged after 11 iterations. iteration 607: trace = 2.451797293903835 (2.65116e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.451797254649803 (1.60103e-06% change) large trace change predicted (3.593e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.451797166562065 (3.59278e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451797005492685 (6.56944e-06% change) linmin: converged after 6 iterations. iteration 611: trace = 2.451796920112159 (3.48237e-06% change) linmin: converged after 6 iterations. iteration 612: trace = 2.45179679732706 (5.00796e-06% change) linmin: converged after 6 iterations. iteration 613: trace = 2.451796693564692 (4.2321e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796649410477 (1.80089e-06% change) large trace change predicted (4.06062e-06%) linmin: converged after 3 iterations. iteration 615: trace = 2.451796549857634 (4.0604e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796494649746 (2.25173e-06% change) linmin: converged after 3 iterations. iteration 617: trace = 2.451796462267598 (1.32075e-06% change) linmin: converged after 2 iterations. iteration 618: trace = 2.451796416806242 (1.85421e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451796356724762 (2.45051e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451796344704529 (4.90262e-07% change) large trace change predicted (2.2744e-06%) linmin: converged after 26 iterations. iteration 621: trace = 2.451796288941718 (2.27437e-06% change) linmin: converged after 2 iterations. iteration 622: trace = 2.451796270977686 (7.32689e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451796249624427 (8.70923e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451796214952842 (1.41413e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451796170173427 (1.82639e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451796151665538 (7.54871e-07% change) large trace change predicted (1.78874e-06%) linmin: converged after 3 iterations. iteration 627: trace = 2.45179610780839 (1.78878e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.451796047092974 (2.47636e-06% change) linmin: converged after 26 iterations. iteration 629: trace = 2.451796029479969 (7.18372e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.451796012741334 (6.82709e-07% change) large trace change predicted (2.09654e-06%) linmin: converged after 2 iterations. iteration 631: trace = 2.451795961338387 (2.09654e-06% change) linmin: converged after 9 iterations. iteration 632: trace = 2.45179592602504 (1.44031e-06% change) linmin: converged after 3 iterations. iteration 633: trace = 2.451795905088337 (8.53933e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795863367345 (1.70165e-06% change) linmin: converged after 3 iterations. iteration 635: trace = 2.451795842434369 (8.53781e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451795823253336 (7.82326e-07% change) linmin: converged after 2 iterations. iteration 637: trace = 2.451795792757435 (1.24382e-06% change) linmin: converged after 7 iterations. iteration 638: trace = 2.45179576555358 (1.10955e-06% change) linmin: converged after 8 iterations. iteration 639: trace = 2.451795739773108 (1.05149e-06% change) linmin: converged after 3 iterations. iteration 640: trace = 2.4517956901301 (2.02476e-06% change) linmin: converged after 2 iterations. iteration 641: trace = 2.451795664286969 (1.05405e-06% change) linmin: converged after 15 iterations. iteration 642: trace = 2.45179563766033 (1.08601e-06% change) linmin: converged after 2 iterations. iteration 643: trace = 2.451795588485063 (2.00568e-06% change) linmin: converged after 3 iterations. iteration 644: trace = 2.451795539525068 (1.9969e-06% change) linmin: converged after 19 iterations. iteration 645: trace = 2.451795502640996 (1.50437e-06% change) large trace change predicted (4.31029e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451795396954941 (4.31056e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.451795364800598 (1.31146e-06% change) large trace change predicted (2.93782e-06%) linmin: converged after 2 iterations. iteration 648: trace = 2.451795292770135 (2.93787e-06% change) large trace change predicted (6.32079e-06%) linmin: converged after 3 iterations. iteration 649: trace = 2.451795137780789 (6.32146e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451795085908627 (2.11568e-06% change) linmin: converged after 11 iterations. iteration 651: trace = 2.451795039112831 (1.90863e-06% change) linmin: converged after 16 iterations. iteration 652: trace = 2.451794981825601 (2.33654e-06% change) linmin: converged after 3 iterations. iteration 653: trace = 2.451794964154467 (7.20743e-07% change) large trace change predicted (1.71611e-06%) linmin: converged after 4 iterations. iteration 654: trace = 2.451794922076946 (1.71619e-06% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794889434599 (1.33137e-06% change) linmin: converged after 13 iterations. iteration 656: trace = 2.451794879984825 (3.85423e-07% change) large trace change predicted (9.94414e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.451794855604035 (9.94406e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.451794823053012 (1.32764e-06% change) linmin: converged after 16 iterations. iteration 659: trace = 2.451794811662601 (4.64574e-07% change) large trace change predicted (1.70714e-06%) linmin: converged after 5 iterations. iteration 660: trace = 2.451794769807879 (1.70711e-06% change) linmin: converged after 3 iterations. iteration 661: trace = 2.451794708290626 (2.50907e-06% change) linmin: converged after 3 iterations. iteration 662: trace = 2.451794634213091 (3.02136e-06% change) linmin: converged after 19 iterations. iteration 663: trace = 2.451794612022829 (9.05062e-07% change) large trace change predicted (3.52775e-06%) linmin: converged after 4 iterations. iteration 664: trace = 2.451794525544635 (3.52714e-06% change) linmin: converged after 4 iterations. iteration 665: trace = 2.451794469815066 (2.27301e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.451794420057125 (2.02945e-06% change) large trace change predicted (5.20654e-06%) linmin: converged after 5 iterations. iteration 667: trace = 2.451794292444008 (5.20489e-06% change) linmin: converged after 3 iterations. iteration 668: trace = 2.451794165930693 (5.16003e-06% change) linmin: converged after 4 iterations. iteration 669: trace = 2.451794133465237 (1.32415e-06% change) large trace change predicted (3.19858e-06%) linmin: converged after 11 iterations. iteration 670: trace = 2.451794055050618 (3.19825e-06% change) linmin: converged after 5 iterations. iteration 671: trace = 2.451794029890598 (1.02619e-06% change) linmin: converged after 3 iterations. iteration 672: trace = 2.45179401156865 (7.47287e-07% change) large trace change predicted (1.51873e-06%) linmin: converged after 6 iterations. iteration 673: trace = 2.451793974332896 (1.51871e-06% change) linmin: converged after 3 iterations. iteration 674: trace = 2.451793962126843 (4.97842e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.451793946727369 (6.2809e-07% change) large trace change predicted (1.33892e-06%) linmin: converged after 2 iterations. iteration 676: trace = 2.451793913899442 (1.33893e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793874281844 (1.61586e-06% change) linmin: converged after 3 iterations. iteration 678: trace = 2.451793859883507 (5.87257e-07% change) large trace change predicted (2.37031e-06%) linmin: converged after 3 iterations. iteration 679: trace = 2.451793801762028 (2.37057e-06% change) linmin: converged after 3 iterations. iteration 680: trace = 2.45179375962895 (1.71846e-06% change) linmin: converged after 2 iterations. iteration 681: trace = 2.451793723775928 (1.46232e-06% change) large trace change predicted (3.58492e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793635857668 (3.58588e-06% change) linmin: converged after 3 iterations. iteration 683: trace = 2.451793595839454 (1.6322e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793522898229 (2.97501e-06% change) linmin: converged after 4 iterations. iteration 685: trace = 2.451793441862717 (3.30515e-06% change) linmin: converged after 3 iterations. iteration 686: trace = 2.451793417050211 (1.01201e-06% change) large trace change predicted (2.28174e-06%) linmin: converged after 2 iterations. iteration 687: trace = 2.451793361103791 (2.28186e-06% change) linmin: converged after 3 iterations. iteration 688: trace = 2.45179327485653 (3.51772e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451793244726272 (1.22891e-06% change) linmin: converged after 8 iterations. iteration 690: trace = 2.45179320944602 (1.43896e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451793151290725 (2.37195e-06% change) linmin: converged after 2 iterations. iteration 692: trace = 2.451793130443018 (8.50304e-07% change) linmin: converged after 15 iterations. iteration 693: trace = 2.451793098215616 (1.31444e-06% change) linmin: converged after 13 iterations. iteration 694: trace = 2.451793054669052 (1.77611e-06% change) linmin: converged after 19 iterations. iteration 695: trace = 2.451793041170863 (5.50544e-07% change) linmin: converged after 2 iterations. iteration 696: trace = 2.451793017141788 (9.80061e-07% change) large trace change predicted (2.72664e-06%) linmin: converged after 3 iterations. iteration 697: trace = 2.451792950287839 (2.72674e-06% change) linmin: converged after 4 iterations. iteration 698: trace = 2.45179291676277 (1.36737e-06% change) large trace change predicted (4.11915e-06%) linmin: converged after 2 iterations. iteration 699: trace = 2.451792815767903 (4.11923e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 700: trace = 2.451792735973971 (3.25451e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792713385848 (9.2129e-07% change) large trace change predicted (2.24644e-06%) linmin: converged after 27 iterations. iteration 702: trace = 2.451792658309004 (2.24639e-06% change) linmin: converged after 8 iterations. iteration 703: trace = 2.451792637528764 (8.47553e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.451792624061017 (5.49302e-07% change) large trace change predicted (1.7001e-06%) linmin: converged after 3 iterations. iteration 705: trace = 2.451792582379331 (1.70005e-06% change) linmin: converged after 16 iterations. iteration 706: trace = 2.45179255538638 (1.10095e-06% change) linmin: converged after 18 iterations. iteration 707: trace = 2.451792537408584 (7.33251e-07% change) large trace change predicted (2.25362e-06%) linmin: converged after 6 iterations. iteration 708: trace = 2.451792482156694 (2.25353e-06% change) linmin: converged after 3 iterations. iteration 709: trace = 2.451792465849439 (6.65116e-07% change) large trace change predicted (1.33888e-06%) linmin: converged after 3 iterations. iteration 710: trace = 2.451792433024327 (1.33882e-06% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451792391095912 (1.71011e-06% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451792367973385 (9.43087e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.451792340588103 (1.11695e-06% change) linmin: converged after 4 iterations. iteration 714: trace = 2.451792302327005 (1.56054e-06% change) linmin: converged after 23 iterations. iteration 715: trace = 2.451792278794445 (9.5981e-07% change) large trace change predicted (2.39835e-06%) linmin: converged after 4 iterations. iteration 716: trace = 2.451792219997243 (2.39813e-06% change) linmin: converged after 4 iterations. iteration 717: trace = 2.45179215196424 (2.77483e-06% change) linmin: converged after 2 iterations. iteration 718: trace = 2.451792133137846 (7.67863e-07% change) large trace change predicted (1.8277e-06%) linmin: converged after 19 iterations. iteration 719: trace = 2.451792088331478 (1.82749e-06% change) linmin: converged after 4 iterations. iteration 720: trace = 2.451792045582993 (1.74356e-06% change) linmin: converged after 22 iterations. iteration 721: trace = 2.451792036069681 (3.88015e-07% change) large trace change predicted (1.12578e-06%) linmin: converged after 16 iterations. iteration 722: trace = 2.451792008467948 (1.12578e-06% change) linmin: converged after 10 iterations. iteration 723: trace = 2.45179198955999 (7.71189e-07% change) linmin: converged after 7 iterations. iteration 724: trace = 2.451791985092234 (1.82224e-07% change) large trace change predicted (4.22936e-07%) linmin: converged after 13 iterations. iteration 725: trace = 2.451791974722604 (4.22941e-07% change) linmin: converged after 8 iterations. iteration 726: trace = 2.451791956378741 (7.48182e-07% change) linmin: converged after 10 iterations. iteration 727: trace = 2.451791950427283 (2.42739e-07% change) large trace change predicted (6.32523e-07%) linmin: converged after 3 iterations. iteration 728: trace = 2.451791934918383 (6.32554e-07% change) large trace change predicted (1.58896e-06%) linmin: converged after 15 iterations. iteration 729: trace = 2.451791895956499 (1.58912e-06% change) linmin: converged after 10 iterations. iteration 730: trace = 2.451791861578978 (1.40214e-06% change) linmin: converged after 6 iterations. iteration 731: trace = 2.451791832578483 (1.18283e-06% change) large trace change predicted (2.51013e-06%) linmin: converged after 4 iterations. iteration 732: trace = 2.451791771020753 (2.51072e-06% change) linmin: converged after 6 iterations. iteration 733: trace = 2.451791747921329 (9.42145e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.45179172199811 (1.05732e-06% change) linmin: converged after 2 iterations. iteration 735: trace = 2.451791681180189 (1.66482e-06% change) linmin: converged after 21 iterations. iteration 736: trace = 2.451791663920676 (7.03955e-07% change) large trace change predicted (1.42046e-06%) linmin: converged after 3 iterations. iteration 737: trace = 2.451791629094082 (1.42045e-06% change) linmin: converged after 3 iterations. iteration 738: trace = 2.451791597026106 (1.30794e-06% change) linmin: converged after 3 iterations. iteration 739: trace = 2.451791584493572 (5.11158e-07% change) linmin: converged after 3 iterations. iteration 740: trace = 2.451791573347998 (4.54589e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.451791557905974 (6.29826e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791553693612 (1.71808e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.451791546815618 (2.80529e-07% change) linmin: converged after 8 iterations. iteration 744: trace = 2.451791535594135 (4.57685e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791532954725 (1.07652e-07% change) large trace change predicted (8.23857e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.45179151275595 (8.23837e-07% change) linmin: converged after 2 iterations. iteration 747: trace = 2.451791500115765 (5.15549e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.451791484009999 (6.56898e-07% change) linmin: converged after 6 iterations. iteration 749: trace = 2.451791455247939 (1.1731e-06% change) linmin: converged after 3 iterations. iteration 750: trace = 2.451791407870619 (1.93236e-06% change) linmin: converged after 3 iterations. iteration 751: trace = 2.451791395788454 (4.92789e-07% change) large trace change predicted (1.05106e-06%) linmin: converged after 5 iterations. iteration 752: trace = 2.451791370018292 (1.05107e-06% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791337156644 (1.34031e-06% change) linmin: converged after 7 iterations. iteration 754: trace = 2.45179132960818 (3.07875e-07% change) large trace change predicted (8.59089e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.451791308545715 (8.59064e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451791294509581 (5.72485e-07% change) linmin: converged after 2 iterations. iteration 757: trace = 2.451791287850632 (2.71595e-07% change) large trace change predicted (5.73049e-07%) linmin: converged after 3 iterations. iteration 758: trace = 2.451791273800747 (5.73046e-07% change) linmin: converged after 5 iterations. iteration 759: trace = 2.451791254442803 (7.89543e-07% change) linmin: converged after 7 iterations. iteration 760: trace = 2.451791250679621 (1.53487e-07% change) large trace change predicted (5.76617e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.451791236542554 (5.76602e-07% change) linmin: converged after 10 iterations. iteration 762: trace = 2.451791228177568 (3.41179e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.451791222089034 (2.4833e-07% change) linmin: converged after 2 iterations. iteration 764: trace = 2.45179121837512 (1.51478e-07% change) large trace change predicted (4.70197e-07%) linmin: converged after 2 iterations. iteration 765: trace = 2.451791206846856 (4.70198e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.451791199724155 (2.9051e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.451791193275321 (2.63025e-07% change) large trace change predicted (6.02358e-07%) linmin: converged after 2 iterations. iteration 768: trace = 2.451791178506686 (6.02361e-07% change) linmin: converged after 16 iterations. iteration 769: trace = 2.451791170879737 (3.11077e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.451791163588499 (2.97384e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.451791149922613 (5.57384e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.45179114388743 (2.46154e-07% change) linmin: converged after 6 iterations. iteration 773: trace = 2.451791136832123 (2.87761e-07% change) linmin: converged after 2 iterations. iteration 774: trace = 2.451791126337473 (4.2804e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.451791122995828 (1.36294e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.45179111679879 (2.52756e-07% change) linmin: converged after 2 iterations. iteration 777: trace = 2.451791109191606 (3.1027e-07% change) linmin: converged after 9 iterations. iteration 778: trace = 2.45179110239284 (2.77298e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451791093004328 (3.82925e-07% change) linmin: converged after 3 iterations. iteration 780: trace = 2.451791077222339 (6.43692e-07% change) linmin: converged after 2 iterations. iteration 781: trace = 2.451791073093088 (1.68418e-07% change) large trace change predicted (5.38894e-07%) linmin: converged after 24 iterations. iteration 782: trace = 2.451791059880235 (5.38906e-07% change) linmin: converged after 2 iterations. iteration 783: trace = 2.451791048214907 (4.75788e-07% change) linmin: converged after 14 iterations. iteration 784: trace = 2.451791043662033 (1.85696e-07% change) large trace change predicted (7.44705e-07%) linmin: converged after 16 iterations. iteration 785: trace = 2.451791025402476 (7.44744e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.451791002705439 (9.25733e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790994296228 (3.42982e-07% change) large trace change predicted (9.31606e-07%) linmin: converged after 2 iterations. iteration 788: trace = 2.451790971454671 (9.31627e-07% change) linmin: converged after 2 iterations. iteration 789: trace = 2.451790936202922 (1.4378e-06% change) linmin: converged after 3 iterations. iteration 790: trace = 2.451790929346274 (2.79659e-07% change) large trace change predicted (8.69486e-07%) linmin: converged after 3 iterations. iteration 791: trace = 2.451790908027687 (8.69511e-07% change) linmin: converged after 2 iterations. iteration 792: trace = 2.451790893576357 (5.89419e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.451790890020725 (1.45022e-07% change) large trace change predicted (5.32387e-07%) linmin: converged after 2 iterations. iteration 794: trace = 2.451790876967421 (5.32399e-07% change) linmin: converged after 3 iterations. iteration 795: trace = 2.451790868820841 (3.32271e-07% change) linmin: converged after 20 iterations. iteration 796: trace = 2.451790866257376 (1.04555e-07% change) linmin: converged after 2 iterations. iteration 797: trace = 2.451790861780407 (1.826e-07% change) large trace change predicted (3.96954e-07%) linmin: converged after 2 iterations. iteration 798: trace = 2.451790852047909 (3.96955e-07% change) linmin: converged after 6 iterations. iteration 799: trace = 2.451790847076646 (2.02761e-07% change) large trace change predicted (4.08768e-07%) linmin: converged after 5 iterations. iteration 800: trace = 2.451790837054765 (4.08758e-07% change) linmin: converged after 3 iterations. iteration 801: trace = 2.451790817335906 (8.04264e-07% change) linmin: converged after 6 iterations. iteration 802: trace = 2.451790794602013 (9.27236e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.451790786000812 (3.50813e-07% change) large trace change predicted (1.02455e-06%) linmin: converged after 5 iterations. iteration 804: trace = 2.451790760882183 (1.0245e-06% change) linmin: converged after 16 iterations. iteration 805: trace = 2.451790740503937 (8.31158e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.451790730236656 (4.18767e-07% change) large trace change predicted (1.1669e-06%) linmin: converged after 3 iterations. iteration 807: trace = 2.451790701629887 (1.16677e-06% change) linmin: converged after 4 iterations. iteration 808: trace = 2.451790674914408 (1.08963e-06% change) linmin: converged after 11 iterations. iteration 809: trace = 2.451790667117731 (3.17999e-07% change) large trace change predicted (7.77162e-07%) linmin: converged after 14 iterations. iteration 810: trace = 2.451790648064388 (7.7712e-07% change) linmin: converged after 4 iterations. iteration 811: trace = 2.451790640953193 (2.90041e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.451790637185523 (1.5367e-07% change) large trace change predicted (3.43254e-07%) linmin: converged after 12 iterations. iteration 813: trace = 2.451790628769825 (3.43247e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790625950864 (1.14976e-07% change) linmin: converged after 8 iterations. iteration 815: trace = 2.451790622016659 (1.60462e-07% change) large trace change predicted (3.50387e-07%) linmin: converged after 2 iterations. iteration 816: trace = 2.451790613425877 (3.50388e-07% change) linmin: converged after 4 iterations. iteration 817: trace = 2.451790604263075 (3.73719e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.451790596543134 (3.1487e-07% change) large trace change predicted (7.49179e-07%) linmin: converged after 3 iterations. iteration 819: trace = 2.451790578173797 (7.49221e-07% change) linmin: converged after 3 iterations. iteration 820: trace = 2.451790565854311 (5.02469e-07% change) linmin: converged after 5 iterations. iteration 821: trace = 2.45179055377303 (4.92753e-07% change) large trace change predicted (1.24216e-06%) linmin: converged after 3 iterations. iteration 822: trace = 2.451790523313139 (1.24235e-06% change) linmin: converged after 4 iterations. iteration 823: trace = 2.451790506795848 (6.73683e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.451790490932665 (6.47004e-07% change) linmin: converged after 3 iterations. iteration 825: trace = 2.451790475293392 (6.37872e-07% change) linmin: converged after 10 iterations. iteration 826: trace = 2.451790466892733 (3.42634e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.451790458534979 (3.40884e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.451790442893108 (6.37977e-07% change) linmin: converged after 5 iterations. iteration 829: trace = 2.451790433408977 (3.86825e-07% change) linmin: converged after 16 iterations. iteration 830: trace = 2.451790426941059 (2.63804e-07% change) large trace change predicted (7.12545e-07%) linmin: converged after 5 iterations. iteration 831: trace = 2.451790409470244 (7.12574e-07% change) linmin: converged after 19 iterations. iteration 832: trace = 2.451790402203408 (2.96389e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.451790393834325 (3.41346e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790380438437 (5.46372e-07% change) linmin: converged after 10 iterations. iteration 835: trace = 2.451790373523198 (2.82049e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.451790370151761 (1.37509e-07% change) large trace change predicted (5.80216e-07%) linmin: converged after 25 iterations. iteration 837: trace = 2.451790355925887 (5.80224e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.451790340317039 (6.36631e-07% change) linmin: converged after 2 iterations. iteration 839: trace = 2.451790324464929 (6.46552e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.451790309779352 (5.98974e-07% change) linmin: converged after 18 iterations. iteration 841: trace = 2.45179029649365 (5.41878e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.45179028307721 (5.4721e-07% change) linmin: converged after 3 iterations. iteration 843: trace = 2.451790279670369 (1.38953e-07% change) linmin: converged after 3 iterations. iteration 844: trace = 2.451790273062005 (2.69532e-07% change) linmin: converged after 21 iterations. iteration 845: trace = 2.451790261480712 (4.72361e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790259224823 (9.20098e-08% change) large trace change predicted (4.1551e-07%) linmin: converged after 16 iterations. iteration 847: trace = 2.451790249037572 (4.15503e-07% change) linmin: converged after 10 iterations. iteration 848: trace = 2.451790237706153 (4.62169e-07% change) linmin: converged after 7 iterations. iteration 849: trace = 2.451790232156626 (2.26346e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790222441097 (3.96263e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.451790213537884 (3.63131e-07% change) linmin: converged after 16 iterations. iteration 852: trace = 2.451790208676213 (1.98291e-07% change) large trace change predicted (4.41386e-07%) linmin: converged after 6 iterations. iteration 853: trace = 2.451790197854555 (4.41378e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.451790191124031 (2.74515e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.451790184160896 (2.84002e-07% change) large trace change predicted (7.53085e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.451790165698048 (7.53035e-07% change) linmin: converged after 6 iterations. iteration 857: trace = 2.45179015009668 (6.36326e-07% change) linmin: converged after 3 iterations. iteration 858: trace = 2.451790143604585 (2.6479e-07% change) linmin: converged after 14 iterations. iteration 859: trace = 2.451790132254787 (4.62919e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451790121261698 (4.4837e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.451790118898645 (9.63807e-08% change) large trace change predicted (3.79461e-07%) linmin: converged after 3 iterations. iteration 862: trace = 2.45179010959524 (3.79454e-07% change) linmin: converged after 6 iterations. iteration 863: trace = 2.45179010705539 (1.03592e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451790104476392 (1.05188e-07% change) linmin: converged after 7 iterations. iteration 865: trace = 2.451790101403323 (1.2534e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451790097444481 (1.61467e-07% change) linmin: converged after 15 iterations. iteration 867: trace = 2.451790095628192 (7.40801e-08% change) large trace change predicted (1.95522e-07%) linmin: converged after 23 iterations. iteration 868: trace = 2.451790090834302 (1.95526e-07% change) large trace change predicted (4.25874e-07%) linmin: converged after 9 iterations. iteration 869: trace = 2.45179008039213 (4.259e-07% change) linmin: converged after 4 iterations. iteration 870: trace = 2.451790077448802 (1.20048e-07% change) large trace change predicted (6.0249e-07%) linmin: converged after 2 iterations. iteration 871: trace = 2.451790062675531 (6.0255e-07% change) linmin: converged after 5 iterations. iteration 872: trace = 2.451790051455813 (4.57613e-07% change) linmin: converged after 15 iterations. iteration 873: trace = 2.451790045147716 (2.57285e-07% change) linmin: converged after 4 iterations. iteration 874: trace = 2.451790035301876 (4.01578e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.451790024447664 (4.42706e-07% change) linmin: converged after 15 iterations. iteration 876: trace = 2.451790020630139 (1.55704e-07% change) large trace change predicted (4.65255e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.451790009222636 (4.65272e-07% change) linmin: converged after 4 iterations. iteration 878: trace = 2.451790002210733 (2.85991e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789999285162 (1.19324e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.45178999465364 (1.88904e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789991462778 (1.30144e-07% change) linmin: converged after 10 iterations. iteration 882: trace = 2.451789989911505 (6.3271e-08% change) linmin: converged after 2 iterations. iteration 883: trace = 2.451789987774147 (8.71754e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.45178998561956 (8.78781e-08% change) linmin: converged after 32 iterations. iteration 885: trace = 2.451789984060726 (6.35794e-08% change) large trace change predicted (2.26079e-07%) linmin: converged after 3 iterations. iteration 886: trace = 2.451789978517803 (2.26077e-07% change) linmin: converged after 3 iterations. iteration 887: trace = 2.451789975618574 (1.18249e-07% change) linmin: converged after 21 iterations. iteration 888: trace = 2.451789970752478 (1.98471e-07% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789963007556 (3.15888e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.4517899579975 (2.04343e-07% change) linmin: converged after 3 iterations. iteration 891: trace = 2.45178994846777 (3.88685e-07% change) linmin: converged after 9 iterations. iteration 892: trace = 2.451789940500019 (3.24977e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789931682476 (3.59637e-07% change) linmin: converged after 11 iterations. iteration 894: trace = 2.451789929697368 (8.09657e-08% change) large trace change predicted (2.14415e-07%) linmin: converged after 16 iterations. iteration 895: trace = 2.451789924440501 (2.14409e-07% change) linmin: converged after 3 iterations. iteration 896: trace = 2.451789920666248 (1.53939e-07% change) linmin: converged after 9 iterations. iteration 897: trace = 2.451789918914021 (7.14673e-08% change) linmin: converged after 8 iterations. iteration 898: trace = 2.451789915531875 (1.37946e-07% change) linmin: converged after 3 iterations. iteration 899: trace = 2.451789911150354 (1.78707e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789909905673 (5.07662e-08% change) large trace change predicted (1.76165e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.451789905586541 (1.76162e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.451789904563604 (4.17221e-08% change) linmin: converged after 3 iterations. iteration 903: trace = 2.451789902854239 (6.97191e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.451789900655728 (8.96697e-08% change) linmin: converged after 2 iterations. iteration 905: trace = 2.451789897972549 (1.09438e-07% change) linmin: converged after 4 iterations. iteration 906: trace = 2.451789896889578 (4.41706e-08% change) large trace change predicted (1.05592e-07%) linmin: converged after 2 iterations. iteration 907: trace = 2.45178989430069 (1.05592e-07% change) linmin: converged after 2 iterations. iteration 908: trace = 2.451789890957687 (1.36349e-07% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789889732013 (4.9991e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.451789888533851 (4.88689e-08% change) large trace change predicted (1.2737e-07%) linmin: converged after 2 iterations. iteration 911: trace = 2.451789885411004 (1.2737e-07% change) linmin: converged after 4 iterations. iteration 912: trace = 2.451789882973843 (9.94033e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.451789881904536 (4.36133e-08% change) large trace change predicted (1.05932e-07%) linmin: converged after 4 iterations. iteration 914: trace = 2.451789879307316 (1.05932e-07% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789877254513 (8.37267e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.451789875938015 (5.36954e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.451789874643029 (5.2818e-08% change) large trace change predicted (1.47752e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789871020394 (1.47755e-07% change) linmin: converged after 4 iterations. iteration 919: trace = 2.451789870072425 (3.86643e-08% change) large trace change predicted (1.29495e-07%) linmin: converged after 6 iterations. iteration 920: trace = 2.45178986689743 (1.29497e-07% change) linmin: converged after 2 iterations. iteration 921: trace = 2.451789863729079 (1.29226e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.451789862594803 (4.62632e-08% change) large trace change predicted (1.72944e-07%) linmin: converged after 6 iterations. iteration 923: trace = 2.45178985835452 (1.72946e-07% change) linmin: converged after 18 iterations. iteration 924: trace = 2.451789854009284 (1.77227e-07% change) linmin: converged after 3 iterations. iteration 925: trace = 2.451789852099355 (7.78994e-08% change) large trace change predicted (2.94273e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789844884257 (2.94279e-07% change) linmin: converged after 19 iterations. iteration 927: trace = 2.451789839801303 (2.07316e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789837325225 (1.00991e-07% change) large trace change predicted (3.74766e-07%) linmin: converged after 3 iterations. iteration 929: trace = 2.451789828136397 (3.7478e-07% change) linmin: converged after 4 iterations. iteration 930: trace = 2.451789824134031 (1.63243e-07% change) linmin: converged after 7 iterations. iteration 931: trace = 2.451789820661545 (1.41631e-07% change) linmin: converged after 3 iterations. iteration 932: trace = 2.451789816782019 (1.58232e-07% change) linmin: converged after 9 iterations. iteration 933: trace = 2.451789813578717 (1.30652e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789812508383 (4.36552e-08% change) large trace change predicted (8.96536e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.451789810310252 (8.96541e-08% change) linmin: converged after 5 iterations. iteration 936: trace = 2.451789808910722 (5.7082e-08% change) linmin: converged after 11 iterations. iteration 937: trace = 2.451789807462006 (5.90881e-08% change) linmin: converged after 3 iterations. iteration 938: trace = 2.451789805875364 (6.47136e-08% change) linmin: converged after 15 iterations. iteration 939: trace = 2.451789802780504 (1.26229e-07% change) linmin: converged after 3 iterations. iteration 940: trace = 2.451789799165365 (1.47449e-07% change) linmin: converged after 7 iterations. iteration 941: trace = 2.451789796291298 (1.17223e-07% change) large trace change predicted (2.9045e-07%) linmin: converged after 4 iterations. iteration 942: trace = 2.451789789170184 (2.90446e-07% change) linmin: converged after 6 iterations. iteration 943: trace = 2.45178978657745 (1.05749e-07% change) large trace change predicted (2.46424e-07%) linmin: converged after 4 iterations. iteration 944: trace = 2.451789780535648 (2.46424e-07% change) linmin: converged after 7 iterations. iteration 945: trace = 2.451789774993603 (2.26041e-07% change) linmin: converged after 9 iterations. iteration 946: trace = 2.451789770389197 (1.87798e-07% change) linmin: converged after 3 iterations. iteration 947: trace = 2.451789765370563 (2.04693e-07% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789757170754 (3.34442e-07% change) linmin: converged after 19 iterations. iteration 949: trace = 2.451789755008747 (8.81808e-08% change) linmin: converged after 5 iterations. iteration 950: trace = 2.451789750811095 (1.71208e-07% change) linmin: converged after 4 iterations. iteration 951: trace = 2.451789748463809 (9.57377e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789747695404 (3.13406e-08% change) large trace change predicted (8.25276e-08%) linmin: converged after 4 iterations. iteration 953: trace = 2.45178974567201 (8.25272e-08% change) linmin: converged after 5 iterations. iteration 954: trace = 2.451789744313788 (5.53972e-08% change) linmin: converged after 2 iterations. iteration 955: trace = 2.451789743483708 (3.38561e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789741842887 (6.69234e-08% change) large trace change predicted (1.64795e-07%) linmin: converged after 19 iterations. iteration 957: trace = 2.451789737802367 (1.64799e-07% change) linmin: converged after 18 iterations. iteration 958: trace = 2.4517897369849 (3.33416e-08% change) large trace change predicted (2.40626e-07%) linmin: converged after 3 iterations. iteration 959: trace = 2.451789731084944 (2.40639e-07% change) linmin: converged after 13 iterations. iteration 960: trace = 2.451789727801833 (1.33907e-07% change) linmin: converged after 10 iterations. iteration 961: trace = 2.451789724031748 (1.53769e-07% change) linmin: converged after 17 iterations. iteration 962: trace = 2.451789717437777 (2.68945e-07% change) linmin: converged after 3 iterations. iteration 963: trace = 2.451789710619834 (2.7808e-07% change) linmin: converged after 3 iterations. iteration 964: trace = 2.451789708627269 (8.12698e-08% change) linmin: converged after 2 iterations. iteration 965: trace = 2.451789704819428 (1.55309e-07% change) linmin: converged after 2 iterations. iteration 966: trace = 2.451789700866408 (1.6123e-07% change) linmin: converged after 2 iterations. iteration 967: trace = 2.451789699702646 (4.74658e-08% change) large trace change predicted (1.65908e-07%) linmin: converged after 9 iterations. iteration 968: trace = 2.451789695634835 (1.65912e-07% change) linmin: converged after 18 iterations. iteration 969: trace = 2.451789692516184 (1.27199e-07% change) linmin: converged after 12 iterations. iteration 970: trace = 2.45178969012336 (9.7595e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.451789687186673 (1.19777e-07% change) linmin: converged after 4 iterations. iteration 972: trace = 2.451789684013402 (1.29427e-07% change) linmin: converged after 4 iterations. iteration 973: trace = 2.451789683230611 (3.19273e-08% change) large trace change predicted (1.54432e-07%) linmin: converged after 4 iterations. iteration 974: trace = 2.451789679444196 (1.54435e-07% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896774956 (7.94765e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.451789676277236 (4.96928e-08% change) large trace change predicted (1.45095e-07%) linmin: converged after 7 iterations. iteration 977: trace = 2.45178967271978 (1.45096e-07% change) linmin: converged after 3 iterations. iteration 978: trace = 2.451789668089779 (1.88842e-07% change) linmin: converged after 3 iterations. iteration 979: trace = 2.451789661871158 (2.53636e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.451789655978992 (2.40321e-07% change) linmin: converged after 7 iterations. iteration 981: trace = 2.451789651840893 (1.68779e-07% change) linmin: converged after 7 iterations. iteration 982: trace = 2.451789648976571 (1.16826e-07% change) linmin: converged after 2 iterations. iteration 983: trace = 2.451789647470846 (6.14133e-08% change) linmin: converged after 3 iterations. iteration 984: trace = 2.45178964574123 (7.0545e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789643545518 (8.95555e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.451789642173499 (5.59599e-08% change) large trace change predicted (1.1649e-07%) linmin: converged after 4 iterations. iteration 987: trace = 2.451789639317437 (1.16489e-07% change) linmin: converged after 25 iterations. iteration 988: trace = 2.451789637814333 (6.13064e-08% change) linmin: converged after 19 iterations. iteration 989: trace = 2.451789635294094 (1.02792e-07% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789632940412 (9.59985e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789631620998 (5.38143e-08% change) linmin: converged after 9 iterations. iteration 992: trace = 2.451789629097917 (1.02908e-07% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789626085564 (1.22863e-07% change) linmin: converged after 6 iterations. iteration 994: trace = 2.451789624882579 (4.90656e-08% change) linmin: converged after 3 iterations. iteration 995: trace = 2.451789622540261 (9.5535e-08% change) large trace change predicted (1.9429e-07%) linmin: converged after 29 iterations. iteration 996: trace = 2.451789617776852 (1.94283e-07% change) linmin: converged after 4 iterations. iteration 997: trace = 2.451789615236879 (1.03597e-07% change) linmin: converged after 5 iterations. iteration 998: trace = 2.451789612509987 (1.1122e-07% change) linmin: converged after 21 iterations. iteration 999: trace = 2.451789609317619 (1.30206e-07% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.451789607475173 (7.5147e-08% change) linmin: converged after 3 iterations. iteration 1001: trace = 2.451789605338165 (8.71612e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.451789602775535 (1.04521e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789602225163 (2.24477e-08% change) linmin: converged after 14 iterations. iteration 1004: trace = 2.451789601429678 (3.24451e-08% change) linmin: converged after 33 iterations. iteration 1005: trace = 2.45178960062488 (3.28249e-08% change) linmin: converged after 17 iterations. iteration 1006: trace = 2.451789600019859 (2.46767e-08% change) linmin: converged after 7 iterations. iteration 1007: trace = 2.4517895991516 (3.54133e-08% change) linmin: converged after 2 iterations. iteration 1008: trace = 2.451789597882093 (5.17788e-08% change) linmin: converged after 10 iterations. iteration 1009: trace = 2.451789596104106 (7.25179e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789594545208 (6.35821e-08% change) large trace change predicted (1.67227e-07%) linmin: converged after 5 iterations. iteration 1011: trace = 2.451789590444923 (1.67236e-07% change) linmin: converged after 25 iterations. iteration 1012: trace = 2.45178958769409 (1.12197e-07% change) linmin: converged after 14 iterations. iteration 1013: trace = 2.45178958573254 (8.00049e-08% change) linmin: converged after 18 iterations. iteration 1014: trace = 2.451789583208535 (1.02945e-07% change) linmin: converged after 10 iterations. iteration 1015: trace = 2.451789580460516 (1.12082e-07% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.451789579475492 (4.01757e-08% change) large trace change predicted (1.2567e-07%) linmin: converged after 4 iterations. iteration 1017: trace = 2.451789576394273 (1.25672e-07% change) linmin: converged after 13 iterations. iteration 1018: trace = 2.451789574570138 (7.44001e-08% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.451789573720643 (3.4648e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789572508435 (4.94418e-08% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.451789571573996 (3.81125e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.451789571273923 (1.22389e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.451789570750298 (2.13568e-08% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.451789570126833 (2.5429e-08% change) linmin: converged after 6 iterations. iteration 1025: trace = 2.451789569776392 (1.42933e-08% change) large trace change predicted (5.94042e-08%) linmin: converged after 6 iterations. iteration 1026: trace = 2.451789568319939 (5.94037e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.451789567457952 (3.51575e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.451789566347172 (4.53048e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.451789564307751 (8.31809e-08% change) linmin: converged after 8 iterations. iteration 1030: trace = 2.451789561996814 (9.42551e-08% change) linmin: converged after 6 iterations. iteration 1031: trace = 2.451789560545204 (5.92061e-08% change) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789558445644 (8.56338e-08% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.451789556752543 (6.90557e-08% change) linmin: converged after 2 iterations. iteration 1034: trace = 2.451789555747037 (4.10111e-08% change) linmin: converged after 8 iterations. iteration 1035: trace = 2.4517895541325 (6.58514e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789552990859 (4.65636e-08% change) linmin: converged after 10 iterations. iteration 1037: trace = 2.451789552597349 (1.60499e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.451789551828049 (3.13771e-08% change) linmin: converged after 11 iterations. iteration 1039: trace = 2.451789550596152 (5.02448e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.451789550296945 (1.22036e-08% change) large trace change predicted (4.1411e-08%) linmin: converged after 3 iterations. iteration 1041: trace = 2.451789549281639 (4.14108e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789548760959 (2.12367e-08% change) linmin: converged after 3 iterations. iteration 1043: trace = 2.451789548535636 (9.19014e-09% change) large trace change predicted (2.14469e-08%) linmin: converged after 2 iterations. iteration 1044: trace = 2.451789548009803 (2.14469e-08% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.45178954741993 (2.40589e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789547097788 (1.31391e-08% change) large trace change predicted (3.00318e-08%) linmin: converged after 25 iterations. iteration 1047: trace = 2.451789546361467 (3.0032e-08% change) linmin: converged after 2 iterations. iteration 1048: trace = 2.45178954531799 (4.25598e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.45178954503696 (1.14622e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.451789544764952 (1.10943e-08% change) large trace change predicted (3.87873e-08%) linmin: converged after 2 iterations. iteration 1051: trace = 2.451789543813969 (3.87873e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.451789543334399 (1.956e-08% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.451789542889757 (1.81354e-08% change) linmin: converged after 3 iterations. iteration 1054: trace = 2.451789542213203 (2.75943e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789541731634 (1.96415e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789541525542 (8.4058e-09% change) large trace change predicted (2.13722e-08%) linmin: converged after 7 iterations. iteration 1057: trace = 2.451789541001534 (2.13725e-08% change) linmin: converged after 10 iterations. iteration 1058: trace = 2.451789540308194 (2.82789e-08% change) linmin: converged after 10 iterations. iteration 1059: trace = 2.451789539845627 (1.88665e-08% change) large trace change predicted (4.14182e-08%) linmin: converged after 6 iterations. iteration 1060: trace = 2.451789538830124 (4.14188e-08% change) linmin: converged after 29 iterations. iteration 1061: trace = 2.451789538384306 (1.81834e-08% change) linmin: converged after 17 iterations. iteration 1062: trace = 2.45178953783625 (2.23533e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.451789536758813 (4.39449e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.451789536364786 (1.6071e-08% change) large trace change predicted (5.01252e-08%) linmin: converged after 4 iterations. iteration 1065: trace = 2.451789535135801 (5.0126e-08% change) linmin: converged after 11 iterations. iteration 1066: trace = 2.451789533249406 (7.69395e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178953210343 (4.67404e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.451789531377887 (2.95924e-08% change) large trace change predicted (8.92514e-08%) linmin: converged after 10 iterations. iteration 1069: trace = 2.451789529189583 (8.92533e-08% change) linmin: converged after 2 iterations. iteration 1070: trace = 2.451789528090198 (4.48401e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789527504516 (2.38879e-08% change) large trace change predicted (6.50385e-08%) linmin: converged after 9 iterations. iteration 1072: trace = 2.451789525909891 (6.50392e-08% change) linmin: converged after 3 iterations. iteration 1073: trace = 2.451789525135385 (3.15894e-08% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.451789524717338 (1.70507e-08% change) linmin: converged after 9 iterations. iteration 1075: trace = 2.451789524118881 (2.4409e-08% change) linmin: converged after 9 iterations. iteration 1076: trace = 2.451789523747809 (1.51347e-08% change) linmin: converged after 28 iterations. iteration 1077: trace = 2.451789523403682 (1.40358e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.451789522973627 (1.75404e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789522135468 (3.41856e-08% change) linmin: converged after 6 iterations. iteration 1080: trace = 2.451789521404868 (2.97986e-08% change) linmin: converged after 10 iterations. iteration 1081: trace = 2.451789520472709 (3.80195e-08% change) large trace change predicted (8.04058e-08%) linmin: converged after 7 iterations. iteration 1082: trace = 2.451789518501348 (8.0405e-08% change) linmin: converged after 2 iterations. iteration 1083: trace = 2.451789517822708 (2.76794e-08% change) large trace change predicted (5.94225e-08%) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789516365803 (5.94221e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789514886395 (6.03399e-08% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.451789513840043 (4.26771e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.451789512361514 (6.03041e-08% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.451789510120203 (9.14153e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789509586878 (2.17525e-08% change) large trace change predicted (4.46714e-08%) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789508491644 (4.46708e-08% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.451789507833981 (2.68238e-08% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789507554888 (1.13832e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.451789507161801 (1.60327e-08% change) linmin: converged after 3 iterations. iteration 1094: trace = 2.451789506798649 (1.48117e-08% change) linmin: converged after 2 iterations. iteration 1095: trace = 2.451789506329276 (1.91441e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789506109167 (8.97748e-09% change) large trace change predicted (4.59958e-08%) linmin: converged after 8 iterations. iteration 1097: trace = 2.451789504981427 (4.59966e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.45178950474344 (9.70666e-09% change) large trace change predicted (6.06069e-08%) linmin: converged after 19 iterations. iteration 1099: trace = 2.45178950325744 (6.06088e-08% change) linmin: converged after 20 iterations. iteration 1100: trace = 2.451789502095743 (4.73816e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.451789501405261 (2.81623e-08% change) large trace change predicted (6.9544e-08%) linmin: converged after 22 iterations. iteration 1102: trace = 2.451789499700134 (6.95462e-08% change) linmin: converged after 20 iterations. iteration 1103: trace = 2.451789497841726 (7.5798e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.451789497378323 (1.89006e-08% change) large trace change predicted (3.90832e-08%) linmin: converged after 4 iterations. iteration 1105: trace = 2.451789496420082 (3.90833e-08% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.451789495353078 (4.35194e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789494381687 (3.96197e-08% change) linmin: converged after 26 iterations. iteration 1108: trace = 2.45178949397928 (1.64128e-08% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.451789493224568 (3.07821e-08% change) linmin: converged after 3 iterations. iteration 1110: trace = 2.451789492080667 (4.66557e-08% change) linmin: converged after 7 iterations. iteration 1111: trace = 2.451789491803318 (1.13121e-08% change) large trace change predicted (3.89193e-08%) linmin: converged after 4 iterations. iteration 1112: trace = 2.451789490849095 (3.89195e-08% change) linmin: converged after 6 iterations. iteration 1113: trace = 2.451789490467708 (1.55555e-08% change) linmin: converged after 22 iterations. iteration 1114: trace = 2.451789489721389 (3.04397e-08% change) linmin: converged after 36 iterations. iteration 1115: trace = 2.451789489126382 (2.42683e-08% change) linmin: converged after 3 iterations. iteration 1116: trace = 2.451789488459372 (2.7205e-08% change) linmin: converged after 32 iterations. iteration 1117: trace = 2.451789488058363 (1.63558e-08% change) large trace change predicted (5.87847e-08%) linmin: converged after 3 iterations. iteration 1118: trace = 2.451789486617093 (5.87844e-08% change) large trace change predicted (1.4183e-07%) linmin: converged after 13 iterations. iteration 1119: trace = 2.451789483139668 (1.41832e-07% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1120: trace = 2.451789480630685 (1.02333e-07% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.451789478983771 (6.71719e-08% change) linmin: converged after 36 iterations. iteration 1122: trace = 2.451789478350402 (2.58329e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.451789477962928 (1.58037e-08% change) linmin: converged after 29 iterations. iteration 1124: trace = 2.451789477373786 (2.4029e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789476805078 (2.31957e-08% change) linmin: converged after 17 iterations. iteration 1126: trace = 2.45178947662315 (7.42022e-09% change) large trace change predicted (3.2743e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789475820365 (3.27428e-08% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.45178947564654 (7.08972e-09% change) large trace change predicted (3.14492e-08%) linmin: converged after 6 iterations. iteration 1129: trace = 2.451789474875475 (3.14491e-08% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.451789474248778 (2.55608e-08% change) linmin: converged after 13 iterations. iteration 1131: trace = 2.451789474036201 (8.67028e-09% change) large trace change predicted (3.17825e-08%) linmin: converged after 6 iterations. iteration 1132: trace = 2.451789473256964 (3.17824e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.451789472520535 (3.00364e-08% change) linmin: converged after 2 iterations. iteration 1134: trace = 2.451789471871875 (2.64566e-08% change) linmin: converged after 29 iterations. iteration 1135: trace = 2.451789471526069 (1.41042e-08% change) large trace change predicted (3.80841e-08%) linmin: converged after 3 iterations. iteration 1136: trace = 2.45178947059233 (3.8084e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.451789469664519 (3.78422e-08% change) linmin: converged after 11 iterations. iteration 1138: trace = 2.451789469091507 (2.33712e-08% change) linmin: converged after 6 iterations. iteration 1139: trace = 2.451789468374256 (2.92542e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.451789467590034 (3.19857e-08% change) linmin: converged after 3 iterations. iteration 1141: trace = 2.451789467339994 (1.01982e-08% change) large trace change predicted (2.61253e-08%) linmin: converged after 17 iterations. iteration 1142: trace = 2.45178946669946 (2.61252e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.451789466498957 (8.17785e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789466325133 (7.08966e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.451789466134469 (7.77652e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.451789465902062 (9.47908e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.451789465794777 (4.3758e-09% change) large trace change predicted (1.37995e-08%) linmin: converged after 5 iterations. iteration 1148: trace = 2.451789465456438 (1.37997e-08% change) linmin: converged after 22 iterations. iteration 1149: trace = 2.451789465165677 (1.18591e-08% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.451789464751201 (1.6905e-08% change) large trace change predicted (4.12834e-08%) linmin: converged after 20 iterations. iteration 1151: trace = 2.451789463738994 (4.12844e-08% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789463523387 (8.79385e-09% change) large trace change predicted (4.27125e-08%) linmin: converged after 7 iterations. iteration 1153: trace = 2.451789462476134 (4.27138e-08% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789461864873 (2.49312e-08% change) linmin: converged after 33 iterations. iteration 1155: trace = 2.451789461204659 (2.69278e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.451789460935516 (1.09774e-08% change) large trace change predicted (3.16184e-08%) linmin: converged after 16 iterations. iteration 1157: trace = 2.451789460160291 (3.16188e-08% change) linmin: converged after 26 iterations. iteration 1158: trace = 2.451789459934806 (9.19675e-09% change) large trace change predicted (1.87064e-08%) linmin: converged after 4 iterations. iteration 1159: trace = 2.451789459476167 (1.87063e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.451789459151386 (1.32467e-08% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.451789458887798 (1.07508e-08% change) linmin: converged after 16 iterations. iteration 1162: trace = 2.451789458797393 (3.68731e-09% change) linmin: converged after 2 iterations. iteration 1163: trace = 2.451789458716712 (3.29071e-09% change) large trace change predicted (8.21454e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.451789458515308 (8.21456e-09% change) linmin: converged after 28 iterations. iteration 1165: trace = 2.451789458457315 (2.36532e-09% change) large trace change predicted (1.35978e-08%) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789458123929 (1.35977e-08% change) linmin: converged after 2 iterations. iteration 1167: trace = 2.45178945783701 (1.17024e-08% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.451789457609028 (9.2986e-09% change) large trace change predicted (1.97294e-08%) linmin: converged after 7 iterations. iteration 1169: trace = 2.451789457125304 (1.97294e-08% change) linmin: converged after 6 iterations. iteration 1170: trace = 2.451789456375531 (3.05806e-08% change) linmin: converged after 25 iterations. iteration 1171: trace = 2.451789456195479 (7.34371e-09% change) large trace change predicted (2.14775e-08%) linmin: converged after 4 iterations. iteration 1172: trace = 2.451789455668895 (2.14775e-08% change) linmin: converged after 14 iterations. iteration 1173: trace = 2.451789455137738 (2.16641e-08% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.451789454982709 (6.32313e-09% change) large trace change predicted (1.54635e-08%) linmin: converged after 3 iterations. iteration 1175: trace = 2.451789454603575 (1.54635e-08% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.451789454303246 (1.22494e-08% change) linmin: converged after 21 iterations. iteration 1177: trace = 2.451789454212239 (3.71187e-09% change) large trace change predicted (8.45974e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.451789454004825 (8.4597e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.451789453753912 (1.02339e-08% change) linmin: converged after 18 iterations. iteration 1180: trace = 2.451789453664577 (3.64367e-09% change) large trace change predicted (9.73272e-09%) linmin: converged after 23 iterations. iteration 1181: trace = 2.451789453425953 (9.73266e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.451789453270331 (6.34725e-09% change) linmin: converged after 3 iterations. iteration 1183: trace = 2.451789453209195 (2.49353e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789453100968 (4.41423e-09% change) linmin: converged after 3 iterations. iteration 1185: trace = 2.45178945293042 (6.95604e-09% change) linmin: converged after 15 iterations. iteration 1186: trace = 2.451789452865569 (2.64506e-09% change) large trace change predicted (6.84024e-09%) linmin: converged after 2 iterations. iteration 1187: trace = 2.451789452697859 (6.84029e-09% change) linmin: converged after 17 iterations. iteration 1188: trace = 2.451789452451036 (1.00671e-08% change) linmin: converged after 5 iterations. iteration 1189: trace = 2.451789452391796 (2.41622e-09% change) resetting CG direction... linmin: converged after 18 iterations. iteration 1190: trace = 2.451789452334151 (2.35112e-09% change) large trace change predicted (9.16378e-09%) linmin: converged after 3 iterations. iteration 1191: trace = 2.451789452109475 (9.16375e-09% change) linmin: converged after 15 iterations. iteration 1192: trace = 2.451789451950074 (6.50145e-09% change) linmin: converged after 31 iterations. iteration 1193: trace = 2.451789451879825 (2.8652e-09% change) large trace change predicted (6.53685e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.451789451719554 (6.53691e-09% change) linmin: converged after 10 iterations. iteration 1195: trace = 2.45178945160773 (4.56089e-09% change) linmin: converged after 18 iterations. iteration 1196: trace = 2.451789451553128 (2.22703e-09% change) large trace change predicted (5.65989e-09%) linmin: converged after 26 iterations. iteration 1197: trace = 2.45178945141436 (5.65985e-09% change) linmin: converged after 19 iterations. iteration 1198: trace = 2.451789451241763 (7.03964e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.451789451126908 (4.68457e-09% change) large trace change predicted (9.36931e-09%) linmin: converged after 8 iterations. iteration 1200: trace = 2.45178945089719 (9.3694e-09% change) linmin: converged after 26 iterations. iteration 1201: trace = 2.451789450723077 (7.10144e-09% change) linmin: converged after 5 iterations. iteration 1202: trace = 2.451789450640961 (3.34923e-09% change) large trace change predicted (1.11309e-08%) linmin: converged after 4 iterations. iteration 1203: trace = 2.451789450368054 (1.1131e-08% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.45178945005646 (1.27088e-08% change) linmin: converged after 22 iterations. iteration 1205: trace = 2.451789449939653 (4.76417e-09% change) large trace change predicted (1.8365e-08%) linmin: converged after 10 iterations. iteration 1206: trace = 2.451789449489383 (1.83649e-08% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.451789449160268 (1.34235e-08% change) linmin: converged after 26 iterations. iteration 1208: trace = 2.451789449004344 (6.35961e-09% change) large trace change predicted (2.29834e-08%) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789448440838 (2.29835e-08% change) linmin: converged after 12 iterations. iteration 1210: trace = 2.45178944813881 (1.23187e-08% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.451789447946779 (7.83229e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789447651878 (1.2028e-08% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.451789447408313 (9.93416e-09% change) linmin: converged after 18 iterations. iteration 1214: trace = 2.45178944736742 (1.66789e-09% change) large trace change predicted (5.24522e-09%) linmin: converged after 15 iterations. iteration 1215: trace = 2.451789447238819 (5.24519e-09% change) linmin: converged after 19 iterations. iteration 1216: trace = 2.451789447156592 (3.35376e-09% change) linmin: converged after 26 iterations. iteration 1217: trace = 2.45178944711895 (1.5353e-09% change) large trace change predicted (6.89067e-09%) linmin: converged after 24 iterations. iteration 1218: trace = 2.451789446950006 (6.89064e-09% change) linmin: converged after 7 iterations. iteration 1219: trace = 2.451789446732954 (8.85277e-09% change) linmin: converged after 2 iterations. iteration 1220: trace = 2.451789446535058 (8.07151e-09% change) linmin: converged after 24 iterations. iteration 1221: trace = 2.451789446293877 (9.83693e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.451789445815967 (1.94923e-08% change) linmin: converged after 6 iterations. iteration 1223: trace = 2.451789445384576 (1.7595e-08% change) linmin: converged after 24 iterations. iteration 1224: trace = 2.451789445221217 (6.66282e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789444930302 (1.18654e-08% change) large trace change predicted (2.38292e-08%) linmin: converged after 9 iterations. iteration 1226: trace = 2.451789444346066 (2.3829e-08% change) linmin: converged after 24 iterations. iteration 1227: trace = 2.451789444229092 (4.77096e-09% change) large trace change predicted (2.11461e-08%) linmin: converged after 11 iterations. iteration 1228: trace = 2.451789443710641 (2.11458e-08% change) linmin: converged after 27 iterations. iteration 1229: trace = 2.451789443500719 (8.562e-09% change) linmin: converged after 12 iterations. iteration 1230: trace = 2.451789443342569 (6.45041e-09% change) linmin: converged after 20 iterations. iteration 1231: trace = 2.45178944317527 (6.82353e-09% change) linmin: converged after 3 iterations. iteration 1232: trace = 2.451789443052179 (5.02047e-09% change) linmin: converged after 3 iterations. iteration 1233: trace = 2.451789443001578 (2.06383e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.451789442926398 (3.06634e-09% change) linmin: converged after 2 iterations. iteration 1235: trace = 2.451789442781727 (5.90063e-09% change) linmin: converged after 36 iterations. iteration 1236: trace = 2.451789442737156 (1.81786e-09% change) large trace change predicted (1.20492e-08%) linmin: converged after 13 iterations. iteration 1237: trace = 2.451789442441735 (1.20492e-08% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789442200093 (9.85575e-09% change) linmin: converged after 23 iterations. iteration 1239: trace = 2.451789441987182 (8.6839e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.451789441667105 (1.30548e-08% change) linmin: converged after 7 iterations. iteration 1241: trace = 2.451789441241778 (1.73476e-08% change) linmin: converged after 13 iterations. iteration 1242: trace = 2.451789441091672 (6.12231e-09% change) large trace change predicted (1.68267e-08%) linmin: converged after 4 iterations. iteration 1243: trace = 2.451789440679111 (1.68269e-08% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789440433159 (1.00315e-08% change) linmin: converged after 21 iterations. iteration 1245: trace = 2.451789440332957 (4.0869e-09% change) large trace change predicted (1.06262e-08%) linmin: converged after 7 iterations. iteration 1246: trace = 2.451789440072424 (1.06262e-08% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.451789439816958 (1.04196e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.451789439638582 (7.27534e-09% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.451789439544426 (3.84027e-09% change) large trace change predicted (1.204e-08%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789439249227 (1.20402e-08% change) linmin: converged after 15 iterations. iteration 1251: trace = 2.451789439129806 (4.87078e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.451789438969213 (6.55003e-09% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.451789438735243 (9.5428e-09% change) linmin: converged after 2 iterations. iteration 1254: trace = 2.451789438648958 (3.51929e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.4517894385467 (4.17074e-09% change) large trace change predicted (9.20671e-09%) linmin: converged after 26 iterations. iteration 1256: trace = 2.45178943832097 (9.20673e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.451789438226698 (3.84503e-09% change) large trace change predicted (1.40748e-08%) linmin: converged after 4 iterations. iteration 1258: trace = 2.451789437881618 (1.40746e-08% change) large trace change predicted (1.02602e-07%) linmin: converged after 10 iterations. iteration 1259: trace = 2.451789435366005 (1.02603e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789433878098 (6.06866e-08% change) linmin: converged after 7 iterations. iteration 1261: trace = 2.451789433256536 (2.53514e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.451789433047301 (8.53395e-09% change) linmin: converged after 6 iterations. iteration 1263: trace = 2.451789432970581 (3.12916e-09% change) linmin: converged after 21 iterations. iteration 1264: trace = 2.451789432843702 (5.17495e-09% change) linmin: converged after 24 iterations. iteration 1265: trace = 2.451789432739367 (4.25545e-09% change) linmin: converged after 22 iterations. iteration 1266: trace = 2.451789432623807 (4.71331e-09% change) linmin: converged after 21 iterations. iteration 1267: trace = 2.451789432576843 (1.91547e-09% change) large trace change predicted (5.83693e-09%) linmin: converged after 4 iterations. iteration 1268: trace = 2.451789432433737 (5.83683e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789432391423 (1.72583e-09% change) large trace change predicted (5.45718e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.451789432257627 (5.45706e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.451789432155805 (4.15297e-09% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.451789432106585 (2.00752e-09% change) large trace change predicted (5.58408e-09%) linmin: converged after 9 iterations. iteration 1273: trace = 2.451789431969674 (5.58412e-09% change) linmin: converged after 21 iterations. iteration 1274: trace = 2.451789431830889 (5.66054e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789431776769 (2.2074e-09% change) large trace change predicted (6.62686e-09%) linmin: converged after 4 iterations. iteration 1276: trace = 2.451789431614293 (6.62681e-09% change) linmin: converged after 6 iterations. iteration 1277: trace = 2.451789431420385 (7.90887e-09% change) linmin: converged after 24 iterations. iteration 1278: trace = 2.451789431314295 (4.32702e-09% change) linmin: converged after 21 iterations. iteration 1279: trace = 2.451789431150426 (6.68365e-09% change) linmin: converged after 17 iterations. iteration 1280: trace = 2.451789431008692 (5.78085e-09% change) linmin: converged after 21 iterations. iteration 1281: trace = 2.451789430897196 (4.54754e-09% change) linmin: converged after 19 iterations. iteration 1282: trace = 2.451789430809749 (3.56668e-09% change) linmin: converged after 23 iterations. iteration 1283: trace = 2.451789430674089 (5.53308e-09% change) linmin: converged after 7 iterations. iteration 1284: trace = 2.451789430653522 (8.38843e-10% change) large trace change predicted (2.42467e-09%) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789430594074 (2.42468e-09% change) linmin: converged after 22 iterations. iteration 1286: trace = 2.451789430545888 (1.96535e-09% change) linmin: converged after 4 iterations. iteration 1287: trace = 2.451789430482413 (2.58893e-09% change) linmin: converged after 13 iterations. iteration 1288: trace = 2.451789430463206 (7.83399e-10% change) large trace change predicted (2.52053e-09%) linmin: converged after 26 iterations. iteration 1289: trace = 2.451789430401406 (2.5206e-09% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789430305257 (3.92158e-09% change) linmin: converged after 21 iterations. iteration 1291: trace = 2.451789430266636 (1.5752e-09% change) large trace change predicted (4.75857e-09%) linmin: converged after 3 iterations. iteration 1292: trace = 2.451789430149964 (4.75865e-09% change) linmin: converged after 27 iterations. iteration 1293: trace = 2.451789430024553 (5.11509e-09% change) linmin: converged after 12 iterations. iteration 1294: trace = 2.451789429962301 (2.53904e-09% change) linmin: converged after 4 iterations. iteration 1295: trace = 2.451789429845037 (4.78281e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.45178942967521 (6.92665e-09% change) linmin: converged after 22 iterations. iteration 1297: trace = 2.451789429603708 (2.91632e-09% change) large trace change predicted (8.59973e-09%) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789429392857 (8.5999e-09% change) linmin: converged after 31 iterations. iteration 1299: trace = 2.451789429256205 (5.57356e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789429222892 (1.35872e-09% change) linmin: converged after 5 iterations. iteration 1301: trace = 2.451789429170611 (2.13234e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789429130043 (1.65465e-09% change) linmin: converged after 17 iterations. iteration 1303: trace = 2.451789429119601 (4.25888e-10% change) large trace change predicted (1.07072e-09%) linmin: converged after 2 iterations. iteration 1304: trace = 2.45178942909335 (1.07067e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.451789429051677 (1.69973e-09% change) linmin: converged after 10 iterations. iteration 1306: trace = 2.451789429038133 (5.52406e-10% change) large trace change predicted (2.85414e-09%) linmin: converged after 4 iterations. iteration 1307: trace = 2.451789428968158 (2.85404e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.451789428904058 (2.61439e-09% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.451789428839541 (2.63144e-09% change) linmin: converged after 7 iterations. iteration 1310: trace = 2.451789428783396 (2.28997e-09% change) large trace change predicted (6.34187e-09%) linmin: converged after 21 iterations. iteration 1311: trace = 2.451789428627906 (6.34187e-09% change) linmin: converged after 6 iterations. iteration 1312: trace = 2.451789428579326 (1.98142e-09% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.451789428516601 (2.55833e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.451789428410657 (4.32111e-09% change) linmin: converged after 5 iterations. iteration 1315: trace = 2.451789428382971 (1.12919e-09% change) large trace change predicted (3.50463e-09%) linmin: converged after 25 iterations. iteration 1316: trace = 2.451789428297045 (3.50462e-09% change) linmin: converged after 16 iterations. iteration 1317: trace = 2.451789428229989 (2.73497e-09% change) linmin: converged after 3 iterations. iteration 1318: trace = 2.451789428206863 (9.43263e-10% change) linmin: converged after 2 iterations. iteration 1319: trace = 2.451789428162945 (1.79124e-09% change) linmin: converged after 21 iterations. iteration 1320: trace = 2.451789428107597 (2.25748e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.451789428079873 (1.13075e-09% change) linmin: converged after 2 iterations. iteration 1322: trace = 2.451789428055299 (1.00229e-09% change) linmin: converged after 6 iterations. iteration 1323: trace = 2.45178942802734 (1.14033e-09% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.451789428007094 (8.25802e-10% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.451789427995403 (4.76821e-10% change) large trace change predicted (1.59393e-09%) linmin: converged after 9 iterations. iteration 1326: trace = 2.451789427956322 (1.59397e-09% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.451789427914213 (1.71748e-09% change) linmin: converged after 7 iterations. iteration 1328: trace = 2.451789427885572 (1.16819e-09% change) linmin: converged after 2 iterations. iteration 1329: trace = 2.451789427860202 (1.03473e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1330: trace = 2.451789427837171 (9.39369e-10% change) linmin: converged after 5 iterations. iteration 1331: trace = 2.451789427813297 (9.73747e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.451789427779709 (1.36991e-09% change) linmin: converged after 6 iterations. iteration 1333: trace = 2.451789427758982 (8.45382e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.451789427739425 (7.9769e-10% change) linmin: converged after 18 iterations. iteration 1335: trace = 2.451789427713917 (1.04038e-09% change) linmin: converged after 16 iterations. iteration 1336: trace = 2.451789427699441 (5.90425e-10% change) linmin: converged after 20 iterations. iteration 1337: trace = 2.45178942767709 (9.11602e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.45178942763282 (1.80562e-09% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.451789427621961 (4.42896e-10% change) large trace change predicted (1.8204e-09%) linmin: converged after 7 iterations. iteration 1340: trace = 2.451789427577328 (1.82041e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789427541467 (1.46267e-09% change) linmin: converged after 11 iterations. iteration 1342: trace = 2.451789427520964 (8.36253e-10% change) large trace change predicted (1.73539e-09%) linmin: converged after 30 iterations. iteration 1343: trace = 2.451789427478416 (1.73539e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.451789427413101 (2.66395e-09% change) linmin: converged after 16 iterations. iteration 1345: trace = 2.45178942739219 (8.52898e-10% change) large trace change predicted (3.48547e-09%) linmin: converged after 21 iterations. iteration 1346: trace = 2.451789427306734 (3.48544e-09% change) linmin: converged after 18 iterations. iteration 1347: trace = 2.451789427233634 (2.9815e-09% change) linmin: converged after 8 iterations. iteration 1348: trace = 2.451789427203547 (1.22716e-09% change) large trace change predicted (4.76998e-09%) linmin: converged after 8 iterations. iteration 1349: trace = 2.451789427086593 (4.77013e-09% change) linmin: converged after 3 iterations. iteration 1350: trace = 2.451789427029377 (2.33366e-09% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.451789426949519 (3.25711e-09% change) linmin: converged after 11 iterations. iteration 1352: trace = 2.451789426938215 (4.61063e-10% change) large trace change predicted (1.99861e-09%) linmin: converged after 20 iterations. iteration 1353: trace = 2.451789426889213 (1.99863e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.451789426874615 (5.95406e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.451789426861922 (5.17684e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.451789426839075 (9.3187e-10% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.451789426822449 (6.78109e-10% change) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789426800897 (8.79035e-10% change) large trace change predicted (1.82979e-09%) linmin: converged after 16 iterations. iteration 1359: trace = 2.451789426756036 (1.82972e-09% change) linmin: converged after 22 iterations. iteration 1360: trace = 2.451789426687717 (2.78648e-09% change) linmin: converged after 20 iterations. iteration 1361: trace = 2.451789426665331 (9.13033e-10% change) large trace change predicted (3.55266e-09%) linmin: converged after 4 iterations. iteration 1362: trace = 2.451789426578227 (3.55269e-09% change) linmin: converged after 16 iterations. iteration 1363: trace = 2.451789426483567 (3.86085e-09% change) linmin: converged after 7 iterations. iteration 1364: trace = 2.451789426448853 (1.41586e-09% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.451789426396778 (2.12395e-09% change) large trace change predicted (4.86206e-09%) linmin: converged after 4 iterations. iteration 1366: trace = 2.451789426277574 (4.86193e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.45178942617991 (3.98336e-09% change) linmin: converged after 13 iterations. iteration 1368: trace = 2.451789426157195 (9.26473e-10% change) large trace change predicted (2.34013e-09%) linmin: converged after 21 iterations. iteration 1369: trace = 2.451789426099818 (2.3402e-09% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.45178942606264 (1.51637e-09% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.451789426053544 (3.70988e-10% change) large trace change predicted (8.90213e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.451789426031716 (8.90283e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789426013754 (7.32629e-10% change) linmin: converged after 4 iterations. iteration 1374: trace = 2.451789426007426 (2.5809e-10% change) large trace change predicted (1.31908e-09%) linmin: converged after 4 iterations. iteration 1375: trace = 2.451789425975084 (1.31911e-09% change) linmin: converged after 22 iterations. iteration 1376: trace = 2.451789425925529 (2.02118e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789425903246 (9.08867e-10% change) large trace change predicted (2.20418e-09%) linmin: converged after 6 iterations. iteration 1378: trace = 2.451789425849205 (2.20415e-09% change) linmin: converged after 2 iterations. iteration 1379: trace = 2.451789425776035 (2.98435e-09% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.45178942575533 (8.44476e-10% change) large trace change predicted (4.19777e-09%) linmin: converged after 5 iterations. iteration 1381: trace = 2.451789425652413 (4.19762e-09% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.451789425595878 (2.30586e-09% change) linmin: converged after 11 iterations. iteration 1383: trace = 2.451789425563314 (1.3282e-09% change) linmin: converged after 8 iterations. iteration 1384: trace = 2.451789425505613 (2.35342e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789425453373 (2.13069e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.451789425436828 (6.74795e-10% change) large trace change predicted (2.05032e-09%) linmin: converged after 18 iterations. iteration 1387: trace = 2.451789425386556 (2.05045e-09% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.451789425349372 (1.51657e-09% change) linmin: converged after 15 iterations. iteration 1389: trace = 2.451789425332057 (7.06239e-10% change) large trace change predicted (2.23419e-09%) linmin: converged after 6 iterations. iteration 1390: trace = 2.451789425277283 (2.23404e-09% change) linmin: converged after 15 iterations. iteration 1391: trace = 2.451789425231565 (1.86466e-09% change) linmin: converged after 2 iterations. iteration 1392: trace = 2.451789425218463 (5.34384e-10% change) large trace change predicted (1.21945e-09%) linmin: converged after 9 iterations. iteration 1393: trace = 2.451789425188565 (1.21945e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.451789425157625 (1.26192e-09% change) linmin: converged after 13 iterations. iteration 1395: trace = 2.451789425138586 (7.76535e-10% change) large trace change predicted (1.64594e-09%) linmin: converged after 4 iterations. iteration 1396: trace = 2.451789425098232 (1.64592e-09% change) linmin: converged after 20 iterations. iteration 1397: trace = 2.451789425038035 (2.45523e-09% change) linmin: converged after 26 iterations. iteration 1398: trace = 2.45178942495501 (3.38631e-09% change) large trace change predicted (1.41341e-08%) linmin: converged after 28 iterations. iteration 1399: trace = 2.451789424608471 (1.41341e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.451789424330125 (1.13528e-08% change) linmin: converged after 2 iterations. iteration 1401: trace = 2.451789424273012 (2.32944e-09% change) linmin: converged after 18 iterations. iteration 1402: trace = 2.45178942422672 (1.88812e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.451789424185634 (1.67575e-09% change) linmin: converged after 18 iterations. iteration 1404: trace = 2.451789424171285 (5.85245e-10% change) linmin: converged after 13 iterations. iteration 1405: trace = 2.451789424147403 (9.74073e-10% change) linmin: converged after 8 iterations. iteration 1406: trace = 2.451789424122435 (1.01836e-09% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.451789424114636 (3.18098e-10% change) large trace change predicted (1.24764e-09%) linmin: converged after 4 iterations. iteration 1408: trace = 2.451789424084049 (1.24751e-09% change) linmin: converged after 6 iterations. iteration 1409: trace = 2.451789424059581 (9.98001e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789424047643 (4.86892e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.451789424031571 (6.55504e-10% change) linmin: converged after 19 iterations. iteration 1412: trace = 2.451789424001313 (1.23416e-09% change) linmin: converged after 10 iterations. iteration 1413: trace = 2.451789423991946 (3.82018e-10% change) large trace change predicted (1.3122e-09%) linmin: converged after 4 iterations. iteration 1414: trace = 2.451789423959771 (1.31231e-09% change) linmin: converged after 4 iterations. iteration 1415: trace = 2.451789423924466 (1.43999e-09% change) linmin: converged after 15 iterations. iteration 1416: trace = 2.45178942391048 (5.70428e-10% change) large trace change predicted (1.56491e-09%) linmin: converged after 5 iterations. iteration 1417: trace = 2.451789423872111 (1.56495e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.451789423828485 (1.77934e-09% change) linmin: converged after 20 iterations. iteration 1419: trace = 2.451789423814215 (5.82039e-10% change) linmin: converged after 21 iterations. iteration 1420: trace = 2.451789423792063 (9.03506e-10% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.451789423752354 (1.61956e-09% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.451789423742226 (4.131e-10% change) large trace change predicted (1.0001e-09%) linmin: converged after 19 iterations. iteration 1423: trace = 2.451789423717707 (1.00005e-09% change) linmin: converged after 8 iterations. iteration 1424: trace = 2.451789423706942 (4.39074e-10% change) linmin: converged after 17 iterations. iteration 1425: trace = 2.451789423700462 (2.64285e-10% change) linmin: converged after 18 iterations. iteration 1426: trace = 2.451789423689513 (4.46554e-10% change) linmin: converged after 13 iterations. iteration 1427: trace = 2.451789423673482 (6.53856e-10% change) linmin: converged after 6 iterations. iteration 1428: trace = 2.451789423669334 (1.6921e-10% change) large trace change predicted (4.72408e-10%) linmin: converged after 4 iterations. iteration 1429: trace = 2.451789423657752 (4.72383e-10% change) linmin: converged after 5 iterations. iteration 1430: trace = 2.451789423642428 (6.24984e-10% change) linmin: converged after 10 iterations. iteration 1431: trace = 2.451789423630924 (4.69232e-10% change) linmin: converged after 14 iterations. iteration 1432: trace = 2.451789423615611 (6.2455e-10% change) linmin: converged after 2 iterations. iteration 1433: trace = 2.451789423588781 (1.09432e-09% change) linmin: converged after 4 iterations. iteration 1434: trace = 2.451789423564947 (9.72099e-10% change) linmin: converged after 6 iterations. iteration 1435: trace = 2.451789423526965 (1.54914e-09% change) linmin: converged after 17 iterations. iteration 1436: trace = 2.451789423512263 (5.99644e-10% change) large trace change predicted (2.27356e-09%) linmin: converged after 5 iterations. iteration 1437: trace = 2.451789423456522 (2.27349e-09% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.451789423435572 (8.54492e-10% change) linmin: converged after 23 iterations. iteration 1439: trace = 2.451789423416287 (7.86551e-10% change) linmin: converged after 11 iterations. iteration 1440: trace = 2.451789423403261 (5.31305e-10% change) linmin: converged after 6 iterations. iteration 1441: trace = 2.451789423395268 (3.25977e-10% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.451789423391876 (1.38364e-10% change) linmin: converged after 6 iterations. iteration 1443: trace = 2.45178942338634 (2.25777e-10% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.45178942338033 (2.45139e-10% change) linmin: converged after 3 iterations. iteration 1445: trace = 2.451789423375478 (1.97901e-10% change) large trace change predicted (6.00098e-10%) linmin: converged after 14 iterations. iteration 1446: trace = 2.451789423360763 (6.0017e-10% change) linmin: converged after 3 iterations. iteration 1447: trace = 2.45178942335683 (1.60426e-10% change) large trace change predicted (4.48501e-10%) linmin: converged after 15 iterations. iteration 1448: trace = 2.451789423345835 (4.4842e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.45178942332878 (6.95643e-10% change) linmin: converged after 9 iterations. iteration 1450: trace = 2.451789423320378 (3.42677e-10% change) large trace change predicted (1.0177e-09%) linmin: converged after 4 iterations. iteration 1451: trace = 2.45178942329543 (1.01754e-09% change) linmin: converged after 3 iterations. iteration 1452: trace = 2.451789423276987 (7.52245e-10% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.451789423268175 (3.59414e-10% change) large trace change predicted (8.42111e-10%) linmin: converged after 9 iterations. iteration 1454: trace = 2.451789423247528 (8.42103e-10% change) linmin: converged after 16 iterations. iteration 1455: trace = 2.451789423223894 (9.6393e-10% change) linmin: converged after 12 iterations. iteration 1456: trace = 2.451789423208913 (6.11037e-10% change) linmin: converged after 8 iterations. iteration 1457: trace = 2.451789423202641 (2.55826e-10% change) linmin: converged after 10 iterations. iteration 1458: trace = 2.451789423192569 (4.108e-10% change) linmin: converged after 7 iterations. iteration 1459: trace = 2.451789423181072 (4.68924e-10% change) linmin: converged after 15 iterations. iteration 1460: trace = 2.451789423178502 (1.04801e-10% change) large trace change predicted (3.50148e-10%) linmin: converged after 6 iterations. iteration 1461: trace = 2.451789423169914 (3.50267e-10% change) linmin: converged after 16 iterations. iteration 1462: trace = 2.451789423164941 (2.02846e-10% change) linmin: converged after 17 iterations. iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 152.44713068008423 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836223782001 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710721454537 (0.719331% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945406997686 (0.6299% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433574138305 (0.140857% change) large trace change predicted (0.375525%) linmin: converged after 10 iterations. iteration 5: trace = 2.481386186433904 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821681916148 (0.103403% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784112846906 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421556558818 (0.0954721% change) linmin: converged after 4 iterations. iteration 9: trace = 2.47247156210758 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069106423442 (0.0567389% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689347126524 (0.0153694% change) large trace change predicted (0.0415687%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653327122731 (0.0419412% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044099555911 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577470692296 (0.018901% change) linmin: converged after 3 iterations. iteration 15: trace = 2.467728690942992 (0.0343893% change) linmin: converged after 3 iterations. iteration 16: trace = 2.46745300556574 (0.0111722% change) large trace change predicted (0.040824%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432221684716 (0.0413785% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143780684861 (0.0116953% change) linmin: converged after 3 iterations. iteration 19: trace = 2.465689795665475 (0.0184104% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064631640342 (0.0253577% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844089931834 (0.00894709% change) large trace change predicted (0.0298112%) linmin: converged after 5 iterations. iteration 22: trace = 2.464107085009973 (0.0299051% change) linmin: converged after 4 iterations. iteration 23: trace = 2.463924808079277 (0.00739755% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417662980171 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917884177778 (0.0202901% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692763668878 (0.00914082% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.4620093727337 (0.0277536% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750403472557 (0.0105192% change) large trace change predicted (0.0224547%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203412627468 (0.0222221% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687193110629 (0.0209765% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471923393098 (0.00874874% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.459844983792497 (0.0254837% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427602421306 (0.0169692% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157446319106 (0.0109851% change) large trace change predicted (0.0241643%) linmin: converged after 5 iterations. iteration 35: trace = 2.458586737331902 (0.0232102% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222225323346 (0.0148272% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860085379453 (0.0147329% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513773299919 (0.014091% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457345537405587 (0.00684601% change) linmin: converged after 6 iterations. iteration 40: trace = 2.45703034207314 (0.0128275% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456937176544063 (0.00379187% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770809803269 (0.00677154% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644867623719 (0.00512646% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574907473046 (0.00284783% change) large trace change predicted (0.00678889%) linmin: converged after 4 iterations. iteration 45: trace = 2.45640989898521 (0.00671724% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322333503604 (0.00356484% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238010855364 (0.00343294% change) linmin: converged after 5 iterations. iteration 48: trace = 2.456190495724837 (0.00193449% change) large trace change predicted (0.00555259%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054376501079 (0.00554204% change) linmin: converged after 10 iterations. iteration 50: trace = 2.456008476736466 (0.00186886% change) large trace change predicted (0.00438779%) linmin: converged after 3 iterations. iteration 51: trace = 2.455900532670498 (0.0043952% change) linmin: converged after 4 iterations. iteration 52: trace = 2.455832272134057 (0.00277949% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712405685762 (0.00488101% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665064720349 (0.00192781% change) large trace change predicted (0.00469267%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549299739854 (0.00471431% change) linmin: converged after 8 iterations. iteration 56: trace = 2.455472788491667 (0.0031159% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45535529713201 (0.00478499% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455240382596921 (0.00468027% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056695397887 (0.00748171% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878903542058 (0.00724213% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746685563653 (0.00538607% change) linmin: converged after 4 iterations. iteration 62: trace = 2.454558719119076 (0.00765756% change) linmin: converged after 5 iterations. iteration 63: trace = 2.454456214757973 (0.00417617% change) large trace change predicted (0.0093065%) linmin: converged after 4 iterations. iteration 64: trace = 2.454226050106184 (0.00937786% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124993638424 (0.00411774% change) linmin: converged after 3 iterations. iteration 66: trace = 2.453937947114079 (0.00762201% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808924524141 (0.00525792% change) linmin: converged after 5 iterations. iteration 68: trace = 2.453622752439474 (0.00758735% change) linmin: converged after 8 iterations. iteration 69: trace = 2.453502290651681 (0.00490967% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453443032160796 (0.00241529% change) large trace change predicted (0.00624621%) linmin: converged after 10 iterations. iteration 71: trace = 2.453289852552315 (0.00624365% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139627224052 (0.00612361% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047589137037 (0.00375192% change) large trace change predicted (0.00966943%) linmin: converged after 4 iterations. iteration 74: trace = 2.452811120127543 (0.00964027% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613550181715 (0.00805516% change) linmin: converged after 12 iterations. iteration 76: trace = 2.452556513243382 (0.00232558% change) large trace change predicted (0.00551969%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421751157438 (0.00549491% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338171908109 (0.00340809% change) linmin: converged after 3 iterations. iteration 79: trace = 2.452304528611742 (0.0013719% change) large trace change predicted (0.00452318%) linmin: converged after 7 iterations. iteration 80: trace = 2.452193711038556 (0.00451902% change) linmin: converged after 3 iterations. iteration 81: trace = 2.45208375148069 (0.00448423% change) linmin: converged after 5 iterations. iteration 82: trace = 2.452050074217855 (0.00137342% change) large trace change predicted (0.00426051%) linmin: converged after 3 iterations. iteration 83: trace = 2.451945262619128 (0.00427454% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451876310389238 (0.00281218% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838832456642 (0.00152855% change) large trace change predicted (0.00517283%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711427988326 (0.00519642% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670646216947 (0.00166341% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615519044859 (0.00224858% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565621590008 (0.00203531% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451543027522145 (0.000921622% change) large trace change predicted (0.00192522%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495728261631 (0.00192939% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437605040677 (0.00237096% change) linmin: converged after 4 iterations. iteration 93: trace = 2.451416673918753 (0.000853834% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379894691538 (0.00150034% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451331042382565 (0.00199287% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320221847723 (0.000441416% change) large trace change predicted (0.00157851%) linmin: converged after 4 iterations. iteration 97: trace = 2.451281413782899 (0.00158316% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451252091299369 (0.00119622% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242581911746 (0.000387941% change) large trace change predicted (0.00130295%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210624800765 (0.00130372% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185412647113 (0.00102856% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451169674858531 (0.00064205% change) large trace change predicted (0.00233933%) linmin: converged after 5 iterations. iteration 103: trace = 2.451112375676283 (0.00233765% change) linmin: converged after 5 iterations. iteration 104: trace = 2.451069764357206 (0.00173846% change) linmin: converged after 3 iterations. iteration 105: trace = 2.451014350329364 (0.00226084% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936365136954 (0.0031818% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891633901529 (0.00182508% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830588419405 (0.00249078% change) linmin: converged after 4 iterations. iteration 109: trace = 2.450789777787804 (0.00166519% change) linmin: converged after 4 iterations. iteration 110: trace = 2.450776845576188 (0.000527677% change) large trace change predicted (0.0011851%) linmin: converged after 3 iterations. iteration 111: trace = 2.450747795704801 (0.00118534% change) linmin: converged after 3 iterations. iteration 112: trace = 2.45070867046777 (0.00159647% change) linmin: converged after 4 iterations. iteration 113: trace = 2.450695835826789 (0.000523713% change) large trace change predicted (0.00227204%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640084149246 (0.00227496% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616935395414 (0.000944605% change) linmin: converged after 9 iterations. iteration 116: trace = 2.45059690168018 (0.0008175% change) linmin: converged after 4 iterations. iteration 117: trace = 2.450567708239303 (0.00119129% change) linmin: converged after 10 iterations. iteration 118: trace = 2.450560050181016 (0.000312502% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544723924295 (0.00062542% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450518156850831 (0.00108414% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508153452435 (0.000408216% change) large trace change predicted (0.00138829%) linmin: converged after 7 iterations. iteration 122: trace = 2.450474160996835 (0.00138717% change) linmin: converged after 5 iterations. iteration 123: trace = 2.450413549363673 (0.0024735% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399865463202 (0.000558434% change) large trace change predicted (0.00263932%) linmin: converged after 5 iterations. iteration 125: trace = 2.450335324898945 (0.00263391% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316241452061 (0.000778813% change) large trace change predicted (0.00253213%) linmin: converged after 4 iterations. iteration 127: trace = 2.45025425553424 (0.00252974% change) linmin: converged after 5 iterations. iteration 128: trace = 2.450208223330985 (0.00187869% change) linmin: converged after 6 iterations. iteration 129: trace = 2.450190012010325 (0.000743259% change) large trace change predicted (0.00218248%) linmin: converged after 6 iterations. iteration 130: trace = 2.450136625348235 (0.0021789% change) linmin: converged after 3 iterations. iteration 131: trace = 2.45007660677115 (0.00244963% change) linmin: converged after 5 iterations. iteration 132: trace = 2.450058966325326 (0.000719998% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024373740196 (0.00141192% change) linmin: converged after 7 iterations. iteration 134: trace = 2.449978667631108 (0.00186555% change) linmin: converged after 5 iterations. iteration 135: trace = 2.449968895169002 (0.00039888% change) large trace change predicted (0.00120772%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939300285809 (0.00120798% change) linmin: converged after 5 iterations. iteration 137: trace = 2.449919722834263 (0.000799103% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912947473968 (0.000276555% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900616488089 (0.000503325% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894928085868 (0.000232189% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892297164892 (0.000107389% change) large trace change predicted (0.000347819%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883775175338 (0.000347852% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876756247481 (0.000286501% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449872120281262 (0.000189233% change) large trace change predicted (0.000699813%) linmin: converged after 3 iterations. iteration 145: trace = 2.449854947385739 (0.000700974% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848346406646 (0.000269444% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839794164459 (0.000349093% change) linmin: converged after 3 iterations. iteration 148: trace = 2.44982675320189 (0.00053232% change) linmin: converged after 3 iterations. iteration 149: trace = 2.44982009809765 (0.000271656% change) linmin: converged after 5 iterations. iteration 150: trace = 2.449813599191857 (0.000265281% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804672061759 (0.000364401% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797710245926 (0.000284179% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789793231324 (0.000323171% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775125541931 (0.000598734% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449771197568826 (0.00016034% change) large trace change predicted (0.00043704%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760491406805 (0.000437028% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754538208532 (0.000243012% change) linmin: converged after 4 iterations. iteration 158: trace = 2.44975190290616 (0.000107574% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747997430265 (0.000159423% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743927761397 (0.000166126% change) linmin: converged after 8 iterations. iteration 161: trace = 2.449742718999893 (4.93424e-05% change) large trace change predicted (0.000191012%) linmin: converged after 3 iterations. iteration 162: trace = 2.449738039373347 (0.000191025% change) linmin: converged after 3 iterations. iteration 163: trace = 2.44973159509182 (0.00026306% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729576492104 (8.24009e-05% change) large trace change predicted (0.000358109%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720797798945 (0.000358354% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449714042868065 (0.000275743% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711750524444 (9.3576e-05% change) large trace change predicted (0.000277937%) linmin: converged after 3 iterations. iteration 168: trace = 2.44970493912474 (0.000278049% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697452299737 (0.000305622% change) linmin: converged after 4 iterations. iteration 170: trace = 2.449695298508223 (8.79208e-05% change) large trace change predicted (0.000350526%) linmin: converged after 5 iterations. iteration 171: trace = 2.44968670212081 (0.000350917% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677776996352 (0.000364338% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674469734727 (0.000135008% change) large trace change predicted (0.000279896%) linmin: converged after 4 iterations. iteration 174: trace = 2.44966760675598 (0.000280159% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449659910863249 (0.000314161% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657742566564 (8.85142e-05% change) large trace change predicted (0.000235374%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651976958328 (0.000235364% change) linmin: converged after 5 iterations. iteration 178: trace = 2.449647863086536 (0.000167937% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645899921092 (8.01408e-05% change) large trace change predicted (0.000191846%) linmin: converged after 3 iterations. iteration 180: trace = 2.449641202496829 (0.00019176% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636735161266 (0.000182367% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634470661315 (9.24423e-05% change) large trace change predicted (0.000270107%) linmin: converged after 5 iterations. iteration 183: trace = 2.449627871274931 (0.000269403% change) linmin: converged after 4 iterations. iteration 184: trace = 2.449623554131188 (0.000176237% change) linmin: converged after 4 iterations. iteration 185: trace = 2.449620056907789 (0.000142766% change) large trace change predicted (0.000335748%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611849363315 (0.000335054% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608040109787 (0.000155504% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605467155713 (0.000105035% change) large trace change predicted (0.000303699%) linmin: converged after 4 iterations. iteration 189: trace = 2.449598032848582 (0.00030349% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593219874764 (0.00019648% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588354301449 (0.000198628% change) large trace change predicted (0.000570807%) linmin: converged after 4 iterations. iteration 192: trace = 2.449574368305194 (0.000570955% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571037661758 (0.000135968% change) large trace change predicted (0.000443751%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560154441408 (0.000444292% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553072147829 (0.000289126% change) linmin: converged after 4 iterations. iteration 196: trace = 2.449550235492469 (0.000115803% change) linmin: converged after 5 iterations. iteration 197: trace = 2.4495459453966 (0.000175138% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540040244491 (0.000241072% change) linmin: converged after 4 iterations. iteration 199: trace = 2.449538438544594 (6.53878e-05% change) large trace change predicted (0.000254687%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532193103362 (0.000254964% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527758252526 (0.000181049% change) linmin: converged after 4 iterations. iteration 202: trace = 2.449524350155484 (0.000139133% change) large trace change predicted (0.000355804%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515628717529 (0.000356047% change) linmin: converged after 3 iterations. iteration 204: trace = 2.44950434102122 (0.000460814% change) linmin: converged after 5 iterations. iteration 205: trace = 2.449499987722562 (0.000177722% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492604326722 (0.000301425% change) linmin: converged after 4 iterations. iteration 207: trace = 2.44948359743051 (0.000367705% change) linmin: converged after 4 iterations. iteration 208: trace = 2.449477982953384 (0.000229211% change) large trace change predicted (0.000702352%) linmin: converged after 12 iterations. iteration 209: trace = 2.449460783306508 (0.000702178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449456833401014 (0.000161256% change) linmin: converged after 3 iterations. iteration 211: trace = 2.44945356137018 (0.000133582% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449447706901437 (0.000239012% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449445022868559 (0.000109577% change) linmin: converged after 4 iterations. iteration 214: trace = 2.449441809454352 (0.00013119% change) linmin: converged after 3 iterations. iteration 215: trace = 2.449436494333873 (0.000216993% change) linmin: converged after 4 iterations. iteration 216: trace = 2.449435634144355 (3.51179e-05% change) large trace change predicted (0.000115454%) linmin: converged after 7 iterations. iteration 217: trace = 2.449432806490806 (0.000115441% change) linmin: converged after 5 iterations. iteration 218: trace = 2.449430943565843 (7.60554e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430283245927 (2.69581e-05% change) large trace change predicted (7.00848e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.4494285668072 (7.0075e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426521749749 (8.34912e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.449425564425491 (3.90836e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.449424332606356 (5.02901e-05% change) large trace change predicted (0.000110628%) linmin: converged after 4 iterations. iteration 224: trace = 2.449421624089753 (0.000110578% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449420972287295 (2.66105e-05% change) large trace change predicted (0.000117549%) linmin: converged after 3 iterations. iteration 226: trace = 2.44941809362175 (0.000117524% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449415830015894 (9.24141e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449414718488296 (4.53793e-05% change) large trace change predicted (0.000115058%) linmin: converged after 4 iterations. iteration 229: trace = 2.44941189853066 (0.000115128% change) linmin: converged after 3 iterations. iteration 230: trace = 2.44940933423477 (0.00010469% change) linmin: converged after 3 iterations. iteration 231: trace = 2.449408340684099 (4.05629e-05% change) large trace change predicted (8.16384e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.449406340469369 (8.16612e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405028464091 (5.35642e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404092537489 (3.82104e-05% change) large trace change predicted (8.28283e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.44940206187908 (8.29042e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449399970633329 (8.53778e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.449399438628353 (2.17198e-05% change) large trace change predicted (4.51547e-05%) linmin: converged after 5 iterations. iteration 238: trace = 2.449398332309524 (4.5167e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397249574377 (4.42041e-05% change) linmin: converged after 17 iterations. iteration 240: trace = 2.449396918889177 (1.35007e-05% change) large trace change predicted (4.03617e-05%) linmin: converged after 4 iterations. iteration 241: trace = 2.449395930071235 (4.03699e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.449395427205492 (2.05302e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.449394631572639 (3.24828e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.449393535117366 (4.47643e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449392892400704 (2.62398e-05% change) large trace change predicted (5.28152e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391598931955 (5.28077e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.449389530665272 (8.44401e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.449389083026784 (1.82755e-05% change) large trace change predicted (4.96657e-05%) linmin: converged after 3 iterations. iteration 249: trace = 2.449387866663815 (4.96599e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 2.449386564837664 (5.31491e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.449385904981976 (2.69396e-05% change) large trace change predicted (6.63516e-05%) linmin: converged after 4 iterations. iteration 252: trace = 2.449384280072972 (6.63395e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449382919473211 (5.55487e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.44938248846367 (1.75967e-05% change) large trace change predicted (3.57597e-05%) linmin: converged after 3 iterations. iteration 255: trace = 2.449381612567119 (3.57599e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380478365786 (4.63056e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.44938005351113 (1.73454e-05% change) large trace change predicted (4.27343e-05%) linmin: converged after 8 iterations. iteration 258: trace = 2.449379006781027 (4.27345e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378058758882 (3.87046e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.44937765001109 (1.66878e-05% change) linmin: converged after 7 iterations. iteration 261: trace = 2.449376845670606 (3.28386e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.449375720676586 (4.59298e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.449375362732151 (1.46137e-05% change) large trace change predicted (6.46068e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373780814214 (6.45846e-05% change) linmin: converged after 6 iterations. iteration 265: trace = 2.449372755734355 (4.18507e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371792432491 (3.93285e-05% change) large trace change predicted (8.58709e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.449369690449359 (8.58173e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449368874852692 (3.32982e-05% change) linmin: converged after 9 iterations. iteration 269: trace = 2.449367793256231 (4.41582e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366630582098 (4.74683e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366243658539 (1.57969e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.44936563589116 (2.48133e-05% change) large trace change predicted (5.39394e-05%) linmin: converged after 4 iterations. iteration 273: trace = 2.449364314802962 (5.39359e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.449363950319062 (1.48808e-05% change) large trace change predicted (4.77899e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.44936277967462 (4.77938e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.449361829792793 (3.87808e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.449361467655149 (1.4785e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.449360860224534 (2.47996e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.449360329464341 (2.16693e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.449360193325828 (5.55813e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.44935994618302 (1.00901e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.449359517939592 (1.74839e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.449359305809744 (8.66063e-06% change) large trace change predicted (2.59609e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.449358669905291 (2.59621e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.449357632577434 (4.2351e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.449357341680221 (1.18765e-05% change) large trace change predicted (3.95153e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.449356373621772 (3.9523e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449355959338408 (1.6914e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.44935569552776 (1.07706e-05% change) large trace change predicted (3.00168e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449354960250441 (3.00192e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.449354411930939 (2.23863e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353722148272 (2.81618e-05% change) linmin: converged after 4 iterations. iteration 293: trace = 2.449352721232571 (4.08645e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.449351915117644 (3.29114e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351557043779 (1.46191e-05% change) large trace change predicted (3.86143e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350611060736 (3.86218e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.449350207537366 (1.64747e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.449349864380816 (1.40101e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349481121152 (1.56474e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.449349187572277 (1.19848e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348824996862 (1.48029e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.449348207170472 (2.52241e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347842976861 (1.4869e-05% change) linmin: converged after 10 iterations. iteration 304: trace = 2.449347307150961 (2.18763e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.449346702238563 (2.46969e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.449346058070105 (2.62996e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.449345847039887 (8.61578e-06% change) large trace change predicted (3.02896e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.449345104999269 (3.02955e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.449344654488271 (1.83931e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.449344396125454 (1.05482e-05% change) large trace change predicted (2.61846e-05%) linmin: converged after 4 iterations. iteration 311: trace = 2.449343754628772 (2.61905e-05% change) linmin: converged after 5 iterations. iteration 312: trace = 2.449343060104885 (2.83555e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342746894462 (1.27875e-05% change) large trace change predicted (3.15839e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449341973236189 (3.15864e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.449341668470169 (1.24428e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341323890793 (1.40682e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.449340724041253 (2.44902e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340627848021 (3.92731e-06% change) large trace change predicted (1.54826e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.449340248658823 (1.54813e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339906894235 (1.39533e-05% change) linmin: converged after 12 iterations. iteration 321: trace = 2.44933971144219 (7.97978e-06% change) large trace change predicted (1.99027e-05%) linmin: converged after 5 iterations. iteration 322: trace = 2.449339224131502 (1.98956e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.449338376540003 (3.46049e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.449338127844788 (1.01536e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.44933764652807 (1.96509e-05% change) linmin: converged after 5 iterations. iteration 326: trace = 2.449336972861738 (2.7504e-05% change) linmin: converged after 3 iterations. iteration 327: trace = 2.449336737184612 (9.62208e-06% change) large trace change predicted (2.5633e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.449336109518837 (2.5626e-05% change) linmin: converged after 6 iterations. iteration 329: trace = 2.449334963984735 (4.67692e-05% change) linmin: converged after 5 iterations. iteration 330: trace = 2.44933466764013 (1.2099e-05% change) large trace change predicted (4.6207e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.44933353585055 (4.62081e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332528715524 (4.11187e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.44933215481141 (1.52656e-05% change) large trace change predicted (3.17647e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.44933137674793 (3.17664e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.449330585861198 (3.22899e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330374173485 (8.64268e-06% change) linmin: converged after 5 iterations. iteration 337: trace = 2.449330012869878 (1.47511e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.449329486830409 (2.14769e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.449329323158688 (6.68231e-06% change) large trace change predicted (1.97878e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328838430115 (1.97903e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328336325411 (2.04997e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328094843118 (9.85912e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932761440938 (1.96149e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.449326676215543 (3.83041e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.44932626318696 (1.68629e-05% change) large trace change predicted (3.78492e-05%) linmin: converged after 5 iterations. iteration 346: trace = 2.44932533598196 (3.78555e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324546731702 (3.22232e-05% change) linmin: converged after 4 iterations. iteration 348: trace = 2.449324227406307 (1.30373e-05% change) large trace change predicted (6.02654e-05%) linmin: converged after 5 iterations. iteration 349: trace = 2.449322750975162 (6.02791e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.449321892900501 (3.50331e-05% change) linmin: converged after 7 iterations. iteration 351: trace = 2.449321683898963 (8.53304e-06% change) large trace change predicted (2.65235e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.44932103422288 (2.65247e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.449320437074354 (2.43802e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320221649538 (8.79529e-06% change) large trace change predicted (3.12902e-05%) linmin: converged after 6 iterations. iteration 355: trace = 2.449319455292288 (3.12886e-05% change) linmin: converged after 2 iterations. iteration 356: trace = 2.4493191233144 (1.35539e-05% change) linmin: converged after 2 iterations. iteration 357: trace = 2.449318967676911 (6.35432e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318672615042 (1.20467e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.449318385140851 (1.17369e-05% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318301710792 (3.40626e-06% change) large trace change predicted (1.14743e-05%) linmin: converged after 3 iterations. iteration 361: trace = 2.449318020705964 (1.14728e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.449317813628271 (8.4545e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.449317706580891 (4.3705e-06% change) large trace change predicted (1.71581e-05%) linmin: converged after 4 iterations. iteration 364: trace = 2.449317286438743 (1.71534e-05% change) linmin: converged after 5 iterations. iteration 365: trace = 2.449317121722504 (6.72499e-06% change) large trace change predicted (1.88753e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.44931665952607 (1.88704e-05% change) linmin: converged after 5 iterations. iteration 367: trace = 2.449316284035032 (1.53304e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.44931598779728 (1.20947e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315617308174 (1.51262e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.449315100622467 (2.10951e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314966477075 (5.47685e-06% change) large trace change predicted (1.54796e-05%) linmin: converged after 4 iterations. iteration 372: trace = 2.449314587271526 (1.54821e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.449314209642466 (1.54177e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449314060042585 (6.10783e-06% change) linmin: converged after 5 iterations. iteration 375: trace = 2.44931376699174 (1.19646e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.449313392413096 (1.52932e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313196464976 (8.00012e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931311062353 (3.50472e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.449312940551659 (6.94366e-06% change) linmin: converged after 3 iterations. iteration 380: trace = 2.449312827552721 (4.6135e-06% change) linmin: converged after 6 iterations. iteration 381: trace = 2.449312747911022 (3.25159e-06% change) large trace change predicted (7.49008e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.44931256444564 (7.49048e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.44931247121995 (3.8062e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.44931233049468 (5.7455e-06% change) large trace change predicted (1.2039e-05%) linmin: converged after 4 iterations. iteration 385: trace = 2.449312035633255 (1.20385e-05% change) linmin: converged after 4 iterations. iteration 386: trace = 2.449311885456354 (6.13139e-06% change) large trace change predicted (1.24054e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.449311581661915 (1.24033e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311389087495 (7.86239e-06% change) linmin: converged after 2 iterations. iteration 389: trace = 2.449311268698603 (4.91521e-06% change) linmin: converged after 6 iterations. iteration 390: trace = 2.449311073926549 (7.95212e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.44931073475165 (1.38478e-05% change) linmin: converged after 6 iterations. iteration 392: trace = 2.449310656267942 (3.20432e-06% change) large trace change predicted (9.56188e-06%) linmin: converged after 3 iterations. iteration 393: trace = 2.44931042209365 (9.56082e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310228419627 (7.90729e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.449310150478858 (3.18215e-06% change) large trace change predicted (8.64275e-06%) linmin: converged after 11 iterations. iteration 396: trace = 2.449309938782913 (8.64308e-06% change) linmin: converged after 4 iterations. iteration 397: trace = 2.44930975921922 (7.3312e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.449309705724143 (2.18409e-06% change) large trace change predicted (8.31773e-06%) linmin: converged after 4 iterations. iteration 399: trace = 2.449309502012794 (8.31709e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309392642907 (4.46534e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.44930934131938 (2.09543e-06% change) large trace change predicted (8.87334e-06%) linmin: converged after 3 iterations. iteration 402: trace = 2.449309123997631 (8.87278e-06% change) linmin: converged after 8 iterations. iteration 403: trace = 2.449308922222955 (8.23802e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.449308823311691 (4.03833e-06% change) large trace change predicted (8.17136e-06%) linmin: converged after 8 iterations. iteration 405: trace = 2.449308623174232 (8.17118e-06% change) linmin: converged after 5 iterations. iteration 406: trace = 2.449308380629756 (9.90257e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.44930832157959 (2.41089e-06% change) large trace change predicted (9.74911e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449308082812707 (9.74834e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449307928331722 (6.30713e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449307863381324 (2.65179e-06% change) linmin: converged after 11 iterations. iteration 411: trace = 2.449307750719834 (4.59973e-06% change) linmin: converged after 9 iterations. iteration 412: trace = 2.44930759617264 (6.30983e-06% change) linmin: converged after 8 iterations. iteration 413: trace = 2.449307507967606 (3.60122e-06% change) large trace change predicted (7.30561e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.449307329057715 (7.30451e-06% change) linmin: converged after 18 iterations. iteration 415: trace = 2.449307207178362 (4.97607e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307129373056 (3.17663e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.449307006639951 (5.01093e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.449306966864445 (1.62395e-06% change) linmin: converged after 6 iterations. iteration 419: trace = 2.449306914000276 (2.15833e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.449306875380481 (1.57676e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.449306850612654 (1.01122e-06% change) large trace change predicted (3.39569e-06%) linmin: converged after 5 iterations. iteration 422: trace = 2.449306767437286 (3.39587e-06% change) linmin: converged after 5 iterations. iteration 423: trace = 2.449306675578913 (3.75038e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.449306620981348 (2.2291e-06% change) large trace change predicted (8.29323e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.449306417828372 (8.29431e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306328329006 (3.65407e-06% change) linmin: converged after 3 iterations. iteration 427: trace = 2.449306220976023 (4.383e-06% change) linmin: converged after 4 iterations. iteration 428: trace = 2.449306118848337 (4.16966e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.449306055279931 (2.59536e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.449305938052055 (4.78617e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305785141147 (6.24303e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305689851015 (3.8905e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.44930558817213 (4.15134e-06% change) large trace change predicted (8.77595e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.449305373204743 (8.77667e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305304858868 (2.79042e-06% change) large trace change predicted (6.12304e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305154891053 (6.12287e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449305036000753 (4.85404e-06% change) linmin: converged after 2 iterations. iteration 438: trace = 2.44930496041736 (3.08591e-06% change) linmin: converged after 10 iterations. iteration 439: trace = 2.449304917601723 (1.74807e-06% change) large trace change predicted (5.15328e-06%) linmin: converged after 4 iterations. iteration 440: trace = 2.449304791369659 (5.15379e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.449304741458016 (2.03779e-06% change) linmin: converged after 7 iterations. iteration 442: trace = 2.449304654473372 (3.5514e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304509184595 (5.93184e-06% change) linmin: converged after 5 iterations. iteration 444: trace = 2.449304456294106 (2.15941e-06% change) large trace change predicted (4.95564e-06%) linmin: converged after 4 iterations. iteration 445: trace = 2.449304334903203 (4.95614e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304173873083 (6.57452e-06% change) linmin: converged after 11 iterations. iteration 447: trace = 2.449304134298035 (1.61577e-06% change) large trace change predicted (5.56691e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.449303997940504 (5.56719e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303877039199 (4.93615e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303809660057 (2.75095e-06% change) linmin: converged after 15 iterations. iteration 451: trace = 2.449303703251061 (4.34446e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.449303521720978 (7.4115e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.449303479410832 (1.72744e-06% change) large trace change predicted (6.30616e-06%) linmin: converged after 4 iterations. iteration 454: trace = 2.44930332494781 (6.30641e-06% change) linmin: converged after 2 iterations. iteration 455: trace = 2.449303196299648 (5.25244e-06% change) linmin: converged after 5 iterations. iteration 456: trace = 2.44930315680863 (1.61234e-06% change) large trace change predicted (4.36591e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.449303049879013 (4.36572e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302998882024 (2.0821e-06% change) linmin: converged after 5 iterations. iteration 459: trace = 2.449302971831586 (1.10441e-06% change) large trace change predicted (2.85974e-06%) linmin: converged after 7 iterations. iteration 460: trace = 2.449302901795706 (2.85942e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302804517566 (3.97167e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.449302758683433 (1.87131e-06% change) large trace change predicted (7.37638e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.449302578077613 (7.37376e-06% change) linmin: converged after 6 iterations. iteration 464: trace = 2.449302439055304 (5.676e-06% change) linmin: converged after 4 iterations. iteration 465: trace = 2.449302385527099 (2.18545e-06% change) large trace change predicted (6.13002e-06%) linmin: converged after 10 iterations. iteration 466: trace = 2.449302235400487 (6.12936e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449302087328288 (6.04549e-06% change) linmin: converged after 11 iterations. iteration 468: trace = 2.449302021521985 (2.68674e-06% change) large trace change predicted (8.49346e-06%) linmin: converged after 3 iterations. iteration 469: trace = 2.44930181348616 (8.49368e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.449301644772229 (6.88825e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301544563133 (4.09133e-06% change) linmin: converged after 3 iterations. iteration 472: trace = 2.449301367402688 (7.2331e-06% change) linmin: converged after 8 iterations. iteration 473: trace = 2.449301158918312 (8.51199e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.449301103788178 (2.25085e-06% change) large trace change predicted (4.70311e-06%) linmin: converged after 4 iterations. iteration 475: trace = 2.449300988580139 (4.70371e-06% change) linmin: converged after 6 iterations. iteration 476: trace = 2.449300896772737 (3.74831e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.449300866357832 (1.24178e-06% change) large trace change predicted (3.92601e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.44930077018778 (3.92643e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.449300683770554 (3.52824e-06% change) linmin: converged after 4 iterations. iteration 480: trace = 2.449300656479704 (1.11423e-06% change) large trace change predicted (3.23321e-06%) linmin: converged after 2 iterations. iteration 481: trace = 2.449300577278313 (3.23363e-06% change) linmin: converged after 6 iterations. iteration 482: trace = 2.449300466061751 (4.54075e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.449300428023244 (1.55304e-06% change) large trace change predicted (7.25073e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.449300250425539 (7.25096e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.449300131892638 (4.83946e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.449300072898354 (2.40862e-06% change) large trace change predicted (8.52883e-06%) linmin: converged after 6 iterations. iteration 487: trace = 2.449299863989046 (8.52935e-06% change) linmin: converged after 3 iterations. iteration 488: trace = 2.449299665082108 (8.12097e-06% change) large trace change predicted (1.9404e-05%) linmin: converged after 3 iterations. iteration 489: trace = 2.44929918983289 (1.94035e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449298962043534 (9.30019e-06% change) linmin: converged after 9 iterations. iteration 491: trace = 2.449298755844723 (8.41869e-06% change) linmin: converged after 5 iterations. iteration 492: trace = 2.449298620798816 (5.51366e-06% change) linmin: converged after 4 iterations. iteration 493: trace = 2.449298572090829 (1.98865e-06% change) large trace change predicted (6.48881e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.449298413153169 (6.48911e-06% change) linmin: converged after 4 iterations. iteration 495: trace = 2.449298359767387 (2.17964e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.449298280489823 (3.23675e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.449298194838207 (3.49699e-06% change) linmin: converged after 12 iterations. iteration 498: trace = 2.449298140239789 (2.22915e-06% change) linmin: converged after 2 iterations. iteration 499: trace = 2.449298097612467 (1.74039e-06% change) linmin: converged after 8 iterations. iteration 500: trace = 2.449298035490159 (2.53633e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.449297992034129 (1.77422e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449297971223781 (8.49645e-07% change) large trace change predicted (1.87991e-06%) linmin: converged after 5 iterations. iteration 503: trace = 2.449297925181443 (1.87982e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.449297878139211 (1.92064e-06% change) linmin: converged after 5 iterations. iteration 505: trace = 2.449297845111048 (1.34847e-06% change) large trace change predicted (4.69833e-06%) linmin: converged after 6 iterations. iteration 506: trace = 2.449297730059884 (4.69731e-06% change) linmin: converged after 4 iterations. iteration 507: trace = 2.449297699988394 (1.22776e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.449297642199617 (2.3594e-06% change) large trace change predicted (4.81107e-06%) linmin: converged after 3 iterations. iteration 509: trace = 2.44929752438478 (4.81015e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.44929747911903 (1.84811e-06% change) large trace change predicted (3.70331e-06%) linmin: converged after 3 iterations. iteration 511: trace = 2.449297388423847 (3.70291e-06% change) linmin: converged after 3 iterations. iteration 512: trace = 2.449297301422007 (3.55211e-06% change) linmin: converged after 15 iterations. iteration 513: trace = 2.44929726710429 (1.40112e-06% change) linmin: converged after 4 iterations. iteration 514: trace = 2.449297202493594 (2.63793e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297118123978 (3.44465e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297098977328 (7.8172e-07% change) large trace change predicted (2.38664e-06%) linmin: converged after 9 iterations. iteration 517: trace = 2.449297040514986 (2.3869e-06% change) linmin: converged after 4 iterations. iteration 518: trace = 2.449296982513297 (2.3681e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449296940061365 (1.73323e-06% change) linmin: converged after 12 iterations. iteration 520: trace = 2.449296930723386 (3.81251e-07% change) large trace change predicted (1.41312e-06%) linmin: converged after 8 iterations. iteration 521: trace = 2.449296896110427 (1.41318e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.449296876492185 (8.00974e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.449296860085393 (6.69857e-07% change) large trace change predicted (1.71313e-06%) linmin: converged after 4 iterations. iteration 524: trace = 2.449296818124541 (1.71318e-06% change) linmin: converged after 7 iterations. iteration 525: trace = 2.449296788553737 (1.20732e-06% change) linmin: converged after 10 iterations. iteration 526: trace = 2.449296751865314 (1.49792e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.449296681629323 (2.8676e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.449296661715937 (8.13025e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.44929662364585 (1.55433e-06% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296567946919 (2.27408e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.449296554510048 (5.48601e-07% change) large trace change predicted (2.41023e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.449296495480694 (2.41005e-06% change) linmin: converged after 4 iterations. iteration 533: trace = 2.449296442332612 (2.16993e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.449296422451371 (8.11712e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296389842277 (1.33137e-06% change) linmin: converged after 5 iterations. iteration 536: trace = 2.449296332679542 (2.33384e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296319700671 (5.29902e-07% change) large trace change predicted (1.61254e-06%) linmin: converged after 4 iterations. iteration 538: trace = 2.449296280205539 (1.61251e-06% change) linmin: converged after 10 iterations. iteration 539: trace = 2.449296248674388 (1.28736e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.4492962396169 (3.698e-07% change) large trace change predicted (1.30988e-06%) linmin: converged after 5 iterations. iteration 541: trace = 2.449296207534937 (1.30984e-06% change) linmin: converged after 11 iterations. iteration 542: trace = 2.449296174568539 (1.34595e-06% change) linmin: converged after 5 iterations. iteration 543: trace = 2.449296165985985 (3.50409e-07% change) large trace change predicted (1.77249e-06%) linmin: converged after 4 iterations. iteration 544: trace = 2.449296122573905 (1.77243e-06% change) linmin: converged after 4 iterations. iteration 545: trace = 2.449296091985974 (1.24885e-06% change) linmin: converged after 10 iterations. iteration 546: trace = 2.449296075552141 (6.70961e-07% change) large trace change predicted (1.84229e-06%) linmin: converged after 7 iterations. iteration 547: trace = 2.449296030429687 (1.84226e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.449295973818217 (2.31134e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.449295963073737 (4.38676e-07% change) large trace change predicted (1.57194e-06%) linmin: converged after 8 iterations. iteration 550: trace = 2.449295924573315 (1.5719e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.449295901411956 (9.45633e-07% change) linmin: converged after 7 iterations. iteration 552: trace = 2.449295887073358 (5.85417e-07% change) large trace change predicted (1.17467e-06%) linmin: converged after 4 iterations. iteration 553: trace = 2.449295858302852 (1.17464e-06% change) linmin: converged after 5 iterations. iteration 554: trace = 2.449295825594148 (1.33543e-06% change) linmin: converged after 6 iterations. iteration 555: trace = 2.449295811533763 (5.74058e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449295783511515 (1.14409e-06% change) linmin: converged after 8 iterations. iteration 557: trace = 2.449295754158801 (1.19841e-06% change) linmin: converged after 16 iterations. iteration 558: trace = 2.449295746000531 (3.33086e-07% change) large trace change predicted (6.75053e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.449295729466491 (6.75053e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.449295723699159 (2.35469e-07% change) linmin: converged after 8 iterations. iteration 561: trace = 2.449295719145353 (1.85923e-07% change) large trace change predicted (7.18669e-07%) linmin: converged after 10 iterations. iteration 562: trace = 2.449295701542916 (7.18673e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.449295677695274 (9.73653e-07% change) linmin: converged after 5 iterations. iteration 564: trace = 2.449295666842978 (4.43078e-07% change) large trace change predicted (1.70343e-06%) linmin: converged after 18 iterations. iteration 565: trace = 2.4492956251186 (1.70353e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295608568285 (6.75717e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.449295588398641 (8.23488e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.449295567387004 (8.57865e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.449295556837434 (4.30719e-07% change) large trace change predicted (9.50373e-07%) linmin: converged after 6 iterations. iteration 570: trace = 2.449295533559557 (9.50391e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295498742708 (1.4215e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.449295471337947 (1.11888e-06% change) linmin: converged after 14 iterations. iteration 573: trace = 2.449295454315248 (6.95004e-07% change) large trace change predicted (1.66534e-06%) linmin: converged after 4 iterations. iteration 574: trace = 2.449295413523881 (1.66543e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.449295394090539 (7.93426e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.449295370806793 (9.5063e-07% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295350994837 (8.08884e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.449295333125299 (7.29579e-07% change) linmin: converged after 13 iterations. iteration 579: trace = 2.449295322520059 (4.32991e-07% change) large trace change predicted (1.06468e-06%) linmin: converged after 2 iterations. iteration 580: trace = 2.449295296442627 (1.06469e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.449295283122905 (5.43819e-07% change) linmin: converged after 2 iterations. iteration 582: trace = 2.449295263991757 (7.81088e-07% change) linmin: converged after 10 iterations. iteration 583: trace = 2.449295240008144 (9.79205e-07% change) linmin: converged after 16 iterations. iteration 584: trace = 2.449295227655927 (5.04317e-07% change) large trace change predicted (1.4574e-06%) linmin: converged after 4 iterations. iteration 585: trace = 2.449295191960348 (1.45738e-06% change) linmin: converged after 3 iterations. iteration 586: trace = 2.449295158881031 (1.35056e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295148138336 (4.38604e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.44929512938227 (7.65774e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.449295100364133 (1.18475e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295077814086 (9.20675e-07% change) linmin: converged after 5 iterations. iteration 591: trace = 2.449295063016357 (6.04163e-07% change) large trace change predicted (1.70647e-06%) linmin: converged after 4 iterations. iteration 592: trace = 2.449295021218325 (1.70653e-06% change) linmin: converged after 5 iterations. iteration 593: trace = 2.449294996460564 (1.01081e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.44929498378478 (5.17528e-07% change) large trace change predicted (1.04482e-06%) linmin: converged after 4 iterations. iteration 595: trace = 2.449294958194812 (1.04479e-06% change) linmin: converged after 7 iterations. iteration 596: trace = 2.449294942464789 (6.42227e-07% change) linmin: converged after 7 iterations. iteration 597: trace = 2.449294932495997 (4.07007e-07% change) linmin: converged after 5 iterations. iteration 598: trace = 2.449294920019993 (5.09371e-07% change) linmin: converged after 10 iterations. iteration 599: trace = 2.449294908978184 (4.50816e-07% change) linmin: converged after 6 iterations. iteration 600: trace = 2.44929489979332 (3.75e-07% change) large trace change predicted (1.29985e-06%) linmin: converged after 12 iterations. iteration 601: trace = 2.449294867959889 (1.2997e-06% change) linmin: converged after 4 iterations. iteration 602: trace = 2.449294840706553 (1.1127e-06% change) linmin: converged after 4 iterations. iteration 603: trace = 2.449294823564626 (6.99872e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449294793758948 (1.21691e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.449294764735275 (1.18498e-06% change) linmin: converged after 4 iterations. iteration 606: trace = 2.449294752754349 (4.89158e-07% change) large trace change predicted (1.57869e-06%) linmin: converged after 20 iterations. iteration 607: trace = 2.449294714089068 (1.57863e-06% change) linmin: converged after 5 iterations. iteration 608: trace = 2.449294678734368 (1.44346e-06% change) linmin: converged after 5 iterations. iteration 609: trace = 2.449294660647144 (7.38467e-07% change) large trace change predicted (1.52257e-06%) linmin: converged after 4 iterations. iteration 610: trace = 2.449294623353037 (1.52265e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.449294595482258 (1.13791e-06% change) linmin: converged after 7 iterations. iteration 612: trace = 2.449294572783566 (9.26744e-07% change) linmin: converged after 6 iterations. iteration 613: trace = 2.449294538089499 (1.41649e-06% change) linmin: converged after 19 iterations. iteration 614: trace = 2.449294527705394 (4.23963e-07% change) large trace change predicted (9.49395e-07%) linmin: converged after 2 iterations. iteration 615: trace = 2.449294504451907 (9.49395e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294485497237 (7.73883e-07% change) linmin: converged after 7 iterations. iteration 617: trace = 2.449294476527676 (3.6621e-07% change) linmin: converged after 5 iterations. iteration 618: trace = 2.44929446043988 (6.56834e-07% change) linmin: converged after 6 iterations. iteration 619: trace = 2.449294436000751 (9.97803e-07% change) linmin: converged after 19 iterations. iteration 620: trace = 2.449294427867938 (3.32047e-07% change) linmin: converged after 4 iterations. iteration 621: trace = 2.449294414804712 (5.33346e-07% change) large trace change predicted (1.14812e-06%) linmin: converged after 10 iterations. iteration 622: trace = 2.449294386682773 (1.14816e-06% change) linmin: converged after 3 iterations. iteration 623: trace = 2.449294368487843 (7.42864e-07% change) linmin: converged after 7 iterations. iteration 624: trace = 2.449294347157103 (8.70893e-07% change) linmin: converged after 4 iterations. iteration 625: trace = 2.449294316655181 (1.24534e-06% change) linmin: converged after 5 iterations. iteration 626: trace = 2.449294298191574 (7.53834e-07% change) linmin: converged after 5 iterations. iteration 627: trace = 2.449294268452204 (1.2142e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.449294212478974 (2.28528e-06% change) linmin: converged after 4 iterations. iteration 629: trace = 2.449294147611416 (2.64842e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.449294105642093 (1.71353e-06% change) linmin: converged after 2 iterations. iteration 631: trace = 2.449294056000651 (2.02677e-06% change) linmin: converged after 21 iterations. iteration 632: trace = 2.449294036115356 (8.11879e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.449294020774135 (6.26353e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 5 iterations. iteration 634: trace = 2.449293989823266 (1.26366e-06% change) linmin: converged after 5 iterations. iteration 635: trace = 2.449293976441921 (5.46335e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449293959433588 (6.94418e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.449293942145088 (7.05856e-07% change) linmin: converged after 9 iterations. iteration 638: trace = 2.449293935059972 (2.89272e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449293922056752 (5.30897e-07% change) linmin: converged after 5 iterations. iteration 640: trace = 2.449293909693623 (5.04763e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.449293905490843 (1.71592e-07% change) large trace change predicted (4.64502e-07%) linmin: converged after 10 iterations. iteration 642: trace = 2.44929389411432 (4.64482e-07% change) linmin: converged after 4 iterations. iteration 643: trace = 2.449293885505506 (3.51481e-07% change) linmin: converged after 4 iterations. iteration 644: trace = 2.449293872214862 (5.42632e-07% change) linmin: converged after 5 iterations. iteration 645: trace = 2.449293867163527 (2.06236e-07% change) large trace change predicted (1.04214e-06%) linmin: converged after 5 iterations. iteration 646: trace = 2.449293841640749 (1.04205e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449293834134831 (3.06452e-07% change) large trace change predicted (6.66378e-07%) linmin: converged after 7 iterations. iteration 648: trace = 2.449293817813669 (6.66362e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.449293797219437 (8.40823e-07% change) linmin: converged after 16 iterations. iteration 650: trace = 2.449293788665385 (3.49246e-07% change) large trace change predicted (7.82241e-07%) linmin: converged after 3 iterations. iteration 651: trace = 2.449293769506357 (7.82227e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.449293751428543 (7.38083e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.449293741139413 (4.20086e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.449293730736813 (4.24718e-07% change) linmin: converged after 11 iterations. iteration 655: trace = 2.449293711268567 (7.94851e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.449293707029274 (1.73082e-07% change) large trace change predicted (5.57407e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.449293693375604 (5.57453e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.449293681237842 (4.95562e-07% change) linmin: converged after 9 iterations. iteration 659: trace = 2.449293673098385 (3.32319e-07% change) linmin: converged after 14 iterations. iteration 660: trace = 2.449293670953859 (8.75569e-08% change) large trace change predicted (2.81185e-07%) linmin: converged after 16 iterations. iteration 661: trace = 2.449293664066693 (2.8119e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.449293657307526 (2.75964e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293655285726 (8.25463e-08% change) large trace change predicted (3.99534e-07%) linmin: converged after 3 iterations. iteration 664: trace = 2.449293645499768 (3.99542e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293635575063 (4.05207e-07% change) linmin: converged after 18 iterations. iteration 666: trace = 2.44929363169782 (1.583e-07% change) large trace change predicted (6.12079e-07%) linmin: converged after 15 iterations. iteration 667: trace = 2.449293616706415 (6.12071e-07% change) linmin: converged after 7 iterations. iteration 668: trace = 2.449293607473717 (3.76953e-07% change) linmin: converged after 5 iterations. iteration 669: trace = 2.449293601686425 (2.36284e-07% change) linmin: converged after 3 iterations. iteration 670: trace = 2.449293592741131 (3.65219e-07% change) linmin: converged after 10 iterations. iteration 671: trace = 2.449293586156217 (2.6885e-07% change) linmin: converged after 6 iterations. iteration 672: trace = 2.449293577520223 (3.52591e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.449293563832737 (5.58834e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.449293555680868 (3.32825e-07% change) linmin: converged after 5 iterations. iteration 675: trace = 2.44929355059821 (2.07515e-07% change) linmin: converged after 15 iterations. iteration 676: trace = 2.449293540668462 (4.05413e-07% change) linmin: converged after 7 iterations. iteration 677: trace = 2.449293532501581 (3.33438e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.449293529614579 (1.17871e-07% change) large trace change predicted (2.77486e-07%) linmin: converged after 13 iterations. iteration 679: trace = 2.449293522818142 (2.77486e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.44929351758496 (2.13661e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293514767307 (1.15039e-07% change) large trace change predicted (2.89179e-07%) linmin: converged after 3 iterations. iteration 682: trace = 2.449293507684474 (2.89179e-07% change) linmin: converged after 19 iterations. iteration 683: trace = 2.449293499046686 (3.52664e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293496326315 (1.11068e-07% change) large trace change predicted (3.85903e-07%) linmin: converged after 14 iterations. iteration 685: trace = 2.449293486874536 (3.85898e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.449293479702585 (2.92817e-07% change) linmin: converged after 6 iterations. iteration 687: trace = 2.449293476612279 (1.26171e-07% change) large trace change predicted (4.75683e-07%) linmin: converged after 9 iterations. iteration 688: trace = 2.44929346496158 (4.75676e-07% change) linmin: converged after 19 iterations. iteration 689: trace = 2.449293455826329 (3.72975e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293453603701 (9.07457e-08% change) large trace change predicted (2.01899e-07%) linmin: converged after 3 iterations. iteration 691: trace = 2.44929344865865 (2.01897e-07% change) linmin: converged after 5 iterations. iteration 692: trace = 2.449293441017769 (3.11963e-07% change) linmin: converged after 14 iterations. iteration 693: trace = 2.449293439312106 (6.9639e-08% change) large trace change predicted (3.88014e-07%) linmin: converged after 13 iterations. iteration 694: trace = 2.449293429808462 (3.88016e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.449293423730869 (2.48137e-07% change) linmin: converged after 7 iterations. iteration 696: trace = 2.449293420629979 (1.26603e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.449293415912063 (1.92624e-07% change) linmin: converged after 4 iterations. iteration 698: trace = 2.449293412433326 (1.4203e-07% change) linmin: converged after 6 iterations. iteration 699: trace = 2.449293411750081 (2.78956e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 700: trace = 2.449293411140338 (2.48946e-08% change) large trace change predicted (8.87114e-08%) linmin: converged after 5 iterations. iteration 701: trace = 2.449293408967532 (8.87115e-08% change) linmin: converged after 7 iterations. iteration 702: trace = 2.449293405174838 (1.54849e-07% change) linmin: converged after 8 iterations. iteration 703: trace = 2.449293402660708 (1.02647e-07% change) large trace change predicted (2.29789e-07%) linmin: converged after 7 iterations. iteration 704: trace = 2.449293397032493 (2.29789e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293389321189 (3.14838e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293387170937 (8.77907e-08% change) large trace change predicted (2.75883e-07%) linmin: converged after 13 iterations. iteration 707: trace = 2.449293380413677 (2.75886e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.449293376740355 (1.49975e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.449293374438893 (9.39643e-08% change) large trace change predicted (2.3725e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293368627877 (2.37253e-07% change) linmin: converged after 5 iterations. iteration 711: trace = 2.449293361874114 (2.75743e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293358047964 (1.56214e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.449293350432366 (3.1093e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.449293343172245 (2.96417e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293341495746 (6.84483e-08% change) large trace change predicted (3.32879e-07%) linmin: converged after 5 iterations. iteration 716: trace = 2.449293333342458 (3.32883e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293327903435 (2.22065e-07% change) linmin: converged after 5 iterations. iteration 718: trace = 2.449293326472478 (5.84233e-08% change) large trace change predicted (1.81779e-07%) linmin: converged after 8 iterations. iteration 719: trace = 2.449293322020201 (1.81778e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.449293317101661 (2.00815e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.449293315498709 (6.54455e-08% change) large trace change predicted (2.28961e-07%) linmin: converged after 4 iterations. iteration 722: trace = 2.449293309890793 (2.28961e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293304846273 (2.05958e-07% change) linmin: converged after 6 iterations. iteration 724: trace = 2.449293302406054 (9.96295e-08% change) large trace change predicted (3.20586e-07%) linmin: converged after 4 iterations. iteration 725: trace = 2.449293294553936 (3.20587e-07% change) linmin: converged after 16 iterations. iteration 726: trace = 2.449293286065541 (3.46565e-07% change) linmin: converged after 7 iterations. iteration 727: trace = 2.449293284358994 (6.96751e-08% change) large trace change predicted (2.39705e-07%) linmin: converged after 6 iterations. iteration 728: trace = 2.449293278487862 (2.39707e-07% change) linmin: converged after 2 iterations. iteration 729: trace = 2.449293271830818 (2.71794e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293269646035 (8.92005e-08% change) large trace change predicted (1.99113e-07%) linmin: converged after 9 iterations. iteration 731: trace = 2.44929326476915 (1.99114e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.449293256929876 (3.20063e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.449293255017268 (7.80881e-08% change) large trace change predicted (3.02027e-07%) linmin: converged after 4 iterations. iteration 734: trace = 2.449293247619684 (3.02029e-07% change) linmin: converged after 7 iterations. iteration 735: trace = 2.449293242918402 (1.91944e-07% change) linmin: converged after 4 iterations. iteration 736: trace = 2.449293239792965 (1.27606e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.449293237127113 (1.08842e-07% change) linmin: converged after 13 iterations. iteration 738: trace = 2.449293233197696 (1.60431e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293232153095 (4.26491e-08% change) large trace change predicted (1.24118e-07%) linmin: converged after 11 iterations. iteration 740: trace = 2.449293229113121 (1.24116e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.449293223275536 (2.38338e-07% change) linmin: converged after 5 iterations. iteration 742: trace = 2.449293215989949 (2.97457e-07% change) linmin: converged after 5 iterations. iteration 743: trace = 2.449293212828947 (1.29058e-07% change) large trace change predicted (3.29746e-07%) linmin: converged after 5 iterations. iteration 744: trace = 2.449293204752885 (3.2973e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293198921186 (2.38097e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.449293195926412 (1.22271e-07% change) large trace change predicted (3.28784e-07%) linmin: converged after 4 iterations. iteration 747: trace = 2.449293187873554 (3.28783e-07% change) linmin: converged after 10 iterations. iteration 748: trace = 2.44929318048013 (3.01859e-07% change) linmin: converged after 7 iterations. iteration 749: trace = 2.449293176783148 (1.50941e-07% change) large trace change predicted (3.41874e-07%) linmin: converged after 5 iterations. iteration 750: trace = 2.449293168409311 (3.41888e-07% change) linmin: converged after 6 iterations. iteration 751: trace = 2.449293161358077 (2.87889e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293158795709 (1.04617e-07% change) large trace change predicted (3.3662e-07%) linmin: converged after 5 iterations. iteration 753: trace = 2.449293150550567 (3.36634e-07% change) linmin: converged after 15 iterations. iteration 754: trace = 2.449293146104317 (1.81532e-07% change) linmin: converged after 17 iterations. iteration 755: trace = 2.449293142578431 (1.43955e-07% change) linmin: converged after 7 iterations. iteration 756: trace = 2.449293137636132 (2.01785e-07% change) linmin: converged after 3 iterations. iteration 757: trace = 2.449293134960425 (1.09244e-07% change) linmin: converged after 5 iterations. iteration 758: trace = 2.449293133890114 (4.36988e-08% change) large trace change predicted (2.12186e-07%) linmin: converged after 8 iterations. iteration 759: trace = 2.449293128692931 (2.12191e-07% change) linmin: converged after 2 iterations. iteration 760: trace = 2.44929312483052 (1.57695e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.449293122817416 (8.21912e-08% change) large trace change predicted (2.14328e-07%) linmin: converged after 18 iterations. iteration 762: trace = 2.449293117567795 (2.14332e-07% change) linmin: converged after 5 iterations. iteration 763: trace = 2.449293109478727 (3.30261e-07% change) linmin: converged after 16 iterations. iteration 764: trace = 2.449293107303254 (8.88204e-08% change) large trace change predicted (2.89887e-07%) linmin: converged after 7 iterations. iteration 765: trace = 2.449293100203215 (2.89881e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.449293092678574 (3.07217e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293089356407 (1.35638e-07% change) large trace change predicted (4.10872e-07%) linmin: converged after 4 iterations. iteration 768: trace = 2.449293079292906 (4.10874e-07% change) large trace change predicted (1.88903e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293033020493 (1.88922e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 770: trace = 2.449293017859338 (6.19001e-07% change) linmin: converged after 4 iterations. iteration 771: trace = 2.449292997335465 (8.37951e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.449292990055918 (2.9721e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.449292986875904 (1.29834e-07% change) linmin: converged after 6 iterations. iteration 774: trace = 2.44929298194117 (2.01476e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.449292977513544 (1.80772e-07% change) linmin: converged after 4 iterations. iteration 776: trace = 2.449292975985296 (6.23955e-08% change) large trace change predicted (1.40361e-07%) linmin: converged after 5 iterations. iteration 777: trace = 2.449292972547426 (1.40362e-07% change) linmin: converged after 6 iterations. iteration 778: trace = 2.449292970281747 (9.25034e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292968669508 (6.58247e-08% change) linmin: converged after 4 iterations. iteration 780: trace = 2.449292965488973 (1.29855e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.449292963452461 (8.31469e-08% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449292962030898 (5.80397e-08% change) linmin: converged after 5 iterations. iteration 783: trace = 2.449292960401037 (6.65441e-08% change) linmin: converged after 12 iterations. iteration 784: trace = 2.44929295936435 (4.2326e-08% change) linmin: converged after 3 iterations. iteration 785: trace = 2.449292957887395 (6.03013e-08% change) large trace change predicted (1.64174e-07%) linmin: converged after 7 iterations. iteration 786: trace = 2.449292953866421 (1.64169e-07% change) linmin: converged after 6 iterations. iteration 787: trace = 2.449292952324942 (6.29357e-08% change) linmin: converged after 22 iterations. iteration 788: trace = 2.449292949756055 (1.04883e-07% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292946340921 (1.39433e-07% change) linmin: converged after 12 iterations. iteration 790: trace = 2.449292943466925 (1.1734e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449292941449611 (8.23631e-08% change) large trace change predicted (1.76286e-07%) linmin: converged after 4 iterations. iteration 792: trace = 2.449292937131886 (1.76285e-07% change) linmin: converged after 6 iterations. iteration 793: trace = 2.44929293471257 (9.87761e-08% change) linmin: converged after 4 iterations. iteration 794: trace = 2.449292933570916 (4.66116e-08% change) large trace change predicted (1.0952e-07%) linmin: converged after 16 iterations. iteration 795: trace = 2.449292930888411 (1.09522e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.449292928472271 (9.86465e-08% change) linmin: converged after 9 iterations. iteration 797: trace = 2.44929292752214 (3.87921e-08% change) large trace change predicted (1.29005e-07%) linmin: converged after 5 iterations. iteration 798: trace = 2.449292924362227 (1.29013e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292922608704 (7.1593e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449292921987183 (2.53755e-08% change) linmin: converged after 4 iterations. iteration 801: trace = 2.449292920856802 (4.61513e-08% change) linmin: converged after 12 iterations. iteration 802: trace = 2.449292919242745 (6.58989e-08% change) linmin: converged after 4 iterations. iteration 803: trace = 2.449292918906371 (1.37335e-08% change) large trace change predicted (5.3093e-08%) linmin: converged after 13 iterations. iteration 804: trace = 2.449292917605954 (5.30936e-08% change) linmin: converged after 9 iterations. iteration 805: trace = 2.449292915746954 (7.58995e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292915173552 (2.34109e-08% change) large trace change predicted (1.23819e-07%) linmin: converged after 4 iterations. iteration 807: trace = 2.449292912140874 (1.23819e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292909165388 (1.21483e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.449292908355971 (3.3047e-08% change) linmin: converged after 8 iterations. iteration 810: trace = 2.449292907006068 (5.5114e-08% change) linmin: converged after 4 iterations. iteration 811: trace = 2.449292904765311 (9.14859e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449292904283508 (1.96711e-08% change) large trace change predicted (7.5548e-08%) linmin: converged after 6 iterations. iteration 813: trace = 2.449292902433123 (7.55477e-08% change) linmin: converged after 6 iterations. iteration 814: trace = 2.449292900882532 (6.33077e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449292900154227 (2.97353e-08% change) large trace change predicted (8.10514e-08%) linmin: converged after 11 iterations. iteration 816: trace = 2.44929289816905 (8.1051e-08% change) linmin: converged after 4 iterations. iteration 817: trace = 2.449292896565611 (6.54654e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292896116787 (1.83246e-08% change) large trace change predicted (6.52536e-08%) linmin: converged after 4 iterations. iteration 819: trace = 2.449292894518531 (6.52538e-08% change) linmin: converged after 4 iterations. iteration 820: trace = 2.449292893654204 (3.52888e-08% change) linmin: converged after 6 iterations. iteration 821: trace = 2.449292893082696 (2.33336e-08% change) linmin: converged after 6 iterations. iteration 822: trace = 2.449292892102284 (4.00284e-08% change) linmin: converged after 6 iterations. iteration 823: trace = 2.44929289059465 (6.15539e-08% change) linmin: converged after 5 iterations. iteration 824: trace = 2.449292890180633 (1.69035e-08% change) large trace change predicted (6.98948e-08%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929288846872 (6.98942e-08% change) linmin: converged after 4 iterations. iteration 826: trace = 2.449292887120091 (5.5062e-08% change) linmin: converged after 6 iterations. iteration 827: trace = 2.449292885710225 (5.75621e-08% change) linmin: converged after 2 iterations. iteration 828: trace = 2.449292884715976 (4.05933e-08% change) large trace change predicted (8.82631e-08%) linmin: converged after 6 iterations. iteration 829: trace = 2.449292882554172 (8.82624e-08% change) linmin: converged after 7 iterations. iteration 830: trace = 2.449292882047176 (2.06997e-08% change) linmin: converged after 16 iterations. iteration 831: trace = 2.44929288114976 (3.66398e-08% change) linmin: converged after 16 iterations. iteration 832: trace = 2.449292879853422 (5.2927e-08% change) linmin: converged after 7 iterations. iteration 833: trace = 2.449292879303432 (2.24551e-08% change) large trace change predicted (4.5898e-08%) linmin: converged after 4 iterations. iteration 834: trace = 2.449292878179263 (4.58977e-08% change) linmin: converged after 8 iterations. iteration 835: trace = 2.449292876556131 (6.62694e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292875733296 (3.35948e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.449292875150569 (2.37917e-08% change) linmin: converged after 4 iterations. iteration 838: trace = 2.449292874393678 (3.09024e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.449292874080253 (1.27965e-08% change) resetting CG direction... linmin: converged after 21 iterations. iteration 840: trace = 2.449292873967415 (4.60697e-09% change) large trace change predicted (1.69055e-08%) linmin: converged after 17 iterations. iteration 841: trace = 2.44929287355335 (1.69055e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.44929287306852 (1.97947e-08% change) linmin: converged after 7 iterations. iteration 843: trace = 2.449292872508723 (2.28555e-08% change) large trace change predicted (4.9977e-08%) linmin: converged after 9 iterations. iteration 844: trace = 2.449292871284631 (4.99774e-08% change) linmin: converged after 21 iterations. iteration 845: trace = 2.449292870579088 (2.8806e-08% change) linmin: converged after 13 iterations. iteration 846: trace = 2.449292869672021 (3.70338e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292868796988 (3.57259e-08% change) linmin: converged after 6 iterations. iteration 848: trace = 2.449292868026058 (3.14756e-08% change) linmin: converged after 5 iterations. iteration 849: trace = 2.449292867457215 (2.32248e-08% change) large trace change predicted (4.70101e-08%) linmin: converged after 10 iterations. iteration 850: trace = 2.449292866305782 (4.70108e-08% change) linmin: converged after 8 iterations. iteration 851: trace = 2.449292865714547 (2.4139e-08% change) large trace change predicted (6.01496e-08%) linmin: converged after 12 iterations. iteration 852: trace = 2.449292864241292 (6.01502e-08% change) linmin: converged after 4 iterations. iteration 853: trace = 2.449292863098565 (4.66554e-08% change) linmin: converged after 4 iterations. iteration 854: trace = 2.449292862614544 (1.97616e-08% change) large trace change predicted (3.99072e-08%) linmin: converged after 4 iterations. iteration 855: trace = 2.449292861637095 (3.99074e-08% change) linmin: converged after 10 iterations. iteration 856: trace = 2.449292860121806 (6.18664e-08% change) linmin: converged after 16 iterations. iteration 857: trace = 2.449292859769265 (1.43936e-08% change) large trace change predicted (3.14806e-08%) linmin: converged after 4 iterations. iteration 858: trace = 2.449292858998214 (3.14805e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.449292858159179 (3.42562e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292857763835 (1.61411e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.449292857082745 (2.78076e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929285597718 (4.51381e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292855555715 (1.72077e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.449292854812911 (3.03273e-08% change) large trace change predicted (6.69542e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.449292853173 (6.69545e-08% change) linmin: converged after 6 iterations. iteration 866: trace = 2.449292851727355 (5.9023e-08% change) linmin: converged after 22 iterations. iteration 867: trace = 2.449292851389133 (1.3809e-08% change) large trace change predicted (4.38061e-08%) linmin: converged after 9 iterations. iteration 868: trace = 2.449292850316193 (4.38061e-08% change) linmin: converged after 3 iterations. iteration 869: trace = 2.449292849136188 (4.81774e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.449292848822578 (1.28041e-08% change) large trace change predicted (4.5316e-08%) linmin: converged after 6 iterations. iteration 871: trace = 2.449292847712644 (4.53165e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292846443147 (5.18312e-08% change) linmin: converged after 6 iterations. iteration 873: trace = 2.449292845748386 (2.83658e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292845007645 (3.0243e-08% change) linmin: converged after 8 iterations. iteration 875: trace = 2.449292843850388 (4.72486e-08% change) linmin: converged after 4 iterations. iteration 876: trace = 2.449292843117773 (2.99113e-08% change) linmin: converged after 3 iterations. iteration 877: trace = 2.449292842599656 (2.11537e-08% change) linmin: converged after 4 iterations. iteration 878: trace = 2.449292841835009 (3.12191e-08% change) linmin: converged after 24 iterations. iteration 879: trace = 2.449292841435062 (1.63291e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292841175833 (1.05839e-08% change) large trace change predicted (4.84804e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.449292839988434 (4.84793e-08% change) linmin: converged after 6 iterations. iteration 882: trace = 2.449292839130921 (3.50106e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.449292838172862 (3.91157e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.4492928368989 (5.20135e-08% change) linmin: converged after 6 iterations. iteration 885: trace = 2.449292835283679 (6.59464e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292834895996 (1.58284e-08% change) large trace change predicted (6.78066e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.449292833235237 (6.78056e-08% change) linmin: converged after 7 iterations. iteration 888: trace = 2.449292832369222 (3.53578e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.449292831384404 (4.02083e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.449292830191172 (4.87174e-08% change) linmin: converged after 4 iterations. iteration 891: trace = 2.449292829316749 (3.5701e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.449292828219289 (4.48072e-08% change) linmin: converged after 2 iterations. iteration 893: trace = 2.449292826985967 (5.03542e-08% change) linmin: converged after 15 iterations. iteration 894: trace = 2.449292826584196 (1.64036e-08% change) large trace change predicted (4.22061e-08%) linmin: converged after 4 iterations. iteration 895: trace = 2.449292825550431 (4.22066e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.449292824858348 (2.82565e-08% change) linmin: converged after 4 iterations. iteration 897: trace = 2.449292824362147 (2.0259e-08% change) linmin: converged after 9 iterations. iteration 898: trace = 2.449292824113142 (1.01664e-08% change) large trace change predicted (3.98197e-08%) linmin: converged after 5 iterations. iteration 899: trace = 2.449292823137826 (3.98203e-08% change) linmin: converged after 4 iterations. iteration 900: trace = 2.449292822549128 (2.40354e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.449292822024046 (2.14381e-08% change) linmin: converged after 2 iterations. iteration 902: trace = 2.449292821063121 (3.92327e-08% change) linmin: converged after 5 iterations. iteration 903: trace = 2.44929281949104 (6.41851e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292819103697 (1.58145e-08% change) large trace change predicted (6.34558e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.449292817549491 (6.34553e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.449292816251781 (5.29831e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.449292815514756 (3.00913e-08% change) large trace change predicted (9.99597e-08%) linmin: converged after 6 iterations. iteration 908: trace = 2.449292813066457 (9.99594e-08% change) large trace change predicted (2.32544e-07%) linmin: converged after 2 iterations. iteration 909: trace = 2.44929280737074 (2.32545e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292804767744 (1.06275e-07% change) linmin: converged after 2 iterations. iteration 911: trace = 2.449292802463312 (9.40856e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292800963751 (6.12242e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.4492928003545 (2.48746e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.449292799184187 (4.77817e-08% change) linmin: converged after 12 iterations. iteration 915: trace = 2.449292798406269 (3.17609e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292798101766 (1.24323e-08% change) large trace change predicted (2.81206e-08%) linmin: converged after 5 iterations. iteration 917: trace = 2.449292797412998 (2.81211e-08% change) linmin: converged after 5 iterations. iteration 918: trace = 2.449292796953241 (1.8771e-08% change) linmin: converged after 24 iterations. iteration 919: trace = 2.449292796599247 (1.44529e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.449292796051903 (2.2347e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292795842403 (8.55347e-09% change) linmin: converged after 3 iterations. iteration 922: trace = 2.449292795507014 (1.36933e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292795126459 (1.55373e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292794644464 (1.96789e-08% change) linmin: converged after 17 iterations. iteration 925: trace = 2.449292794445311 (8.13106e-09% change) large trace change predicted (2.50347e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292793832144 (2.50344e-08% change) linmin: converged after 23 iterations. iteration 927: trace = 2.44929279346304 (1.50698e-08% change) linmin: converged after 5 iterations. iteration 928: trace = 2.449292793159334 (1.23997e-08% change) large trace change predicted (3.61892e-08%) linmin: converged after 7 iterations. iteration 929: trace = 2.449292792272968 (3.61886e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.449292791951839 (1.31111e-08% change) linmin: converged after 5 iterations. iteration 931: trace = 2.449292791582293 (1.50879e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292790908833 (2.74961e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292790287225 (2.53791e-08% change) linmin: converged after 16 iterations. iteration 934: trace = 2.449292790149227 (5.6342e-09% change) large trace change predicted (2.59762e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.449292789512982 (2.59767e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.449292788960277 (2.25659e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292788817194 (5.84182e-09% change) large trace change predicted (1.65993e-08%) linmin: converged after 4 iterations. iteration 938: trace = 2.449292788410628 (1.65993e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292788061161 (1.42681e-08% change) linmin: converged after 5 iterations. iteration 940: trace = 2.449292787904088 (6.41298e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292787727407 (7.21355e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.449292787440076 (1.17312e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292787216697 (9.12013e-09% change) linmin: converged after 14 iterations. iteration 944: trace = 2.449292787086417 (5.31911e-09% change) large trace change predicted (2.13184e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292786564272 (2.13182e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292786386931 (7.24049e-09% change) large trace change predicted (2.13741e-08%) linmin: converged after 6 iterations. iteration 947: trace = 2.449292785863411 (2.13743e-08% change) linmin: converged after 2 iterations. iteration 948: trace = 2.449292785444216 (1.71149e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292785222719 (9.04329e-09% change) linmin: converged after 6 iterations. iteration 950: trace = 2.449292784831595 (1.59689e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.449292784342337 (1.99755e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.449292784199534 (5.8304e-09% change) linmin: converged after 17 iterations. iteration 953: trace = 2.449292783988332 (8.62297e-09% change) linmin: converged after 5 iterations. iteration 954: trace = 2.449292783654258 (1.36396e-08% change) linmin: converged after 4 iterations. iteration 955: trace = 2.449292783500174 (6.29095e-09% change) linmin: converged after 2 iterations. iteration 956: trace = 2.449292783208447 (1.19106e-08% change) linmin: converged after 6 iterations. iteration 957: trace = 2.449292782947198 (1.06663e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292782853326 (3.8326e-09% change) large trace change predicted (8.90601e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.449292782635202 (8.9056e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.449292782448499 (7.62273e-09% change) linmin: converged after 15 iterations. iteration 961: trace = 2.449292782248253 (8.17567e-09% change) linmin: converged after 16 iterations. iteration 962: trace = 2.449292782146571 (4.15146e-09% change) large trace change predicted (1.25185e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292781839952 (1.25187e-08% change) linmin: converged after 12 iterations. iteration 964: trace = 2.4492927815918 (1.01315e-08% change) linmin: converged after 6 iterations. iteration 965: trace = 2.449292781489148 (4.19109e-09% change) large trace change predicted (1.03353e-08%) linmin: converged after 13 iterations. iteration 966: trace = 2.449292781236014 (1.0335e-08% change) linmin: converged after 17 iterations. iteration 967: trace = 2.449292780804872 (1.76027e-08% change) linmin: converged after 27 iterations. iteration 968: trace = 2.449292780674483 (5.32354e-09% change) large trace change predicted (1.3142e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.449292780352598 (1.31419e-08% change) linmin: converged after 22 iterations. iteration 970: trace = 2.449292780049838 (1.23611e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292779979538 (2.87022e-09% change) large trace change predicted (1.13314e-08%) linmin: converged after 4 iterations. iteration 972: trace = 2.449292779702009 (1.1331e-08% change) linmin: converged after 19 iterations. iteration 973: trace = 2.449292779538785 (6.6641e-09% change) linmin: converged after 5 iterations. iteration 974: trace = 2.449292779394868 (5.87587e-09% change) linmin: converged after 21 iterations. iteration 975: trace = 2.449292779154436 (9.81639e-09% change) linmin: converged after 4 iterations. iteration 976: trace = 2.449292778961834 (7.86359e-09% change) linmin: converged after 8 iterations. iteration 977: trace = 2.449292778861067 (4.11411e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292778715018 (5.96292e-09% change) linmin: converged after 3 iterations. iteration 979: trace = 2.449292778660124 (2.24121e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292778642429 (7.22461e-10% change) large trace change predicted (1.8637e-09%) linmin: converged after 10 iterations. iteration 981: trace = 2.449292778596778 (1.86383e-09% change) large trace change predicted (4.79827e-09%) linmin: converged after 16 iterations. iteration 982: trace = 2.449292778479253 (4.79833e-09% change) linmin: converged after 5 iterations. iteration 983: trace = 2.449292778403906 (3.07625e-09% change) large trace change predicted (7.38274e-09%) linmin: converged after 7 iterations. iteration 984: trace = 2.449292778223077 (7.38293e-09% change) linmin: converged after 3 iterations. iteration 985: trace = 2.449292778008108 (8.77676e-09% change) linmin: converged after 4 iterations. iteration 986: trace = 2.449292777899364 (4.43982e-09% change) linmin: converged after 4 iterations. iteration 987: trace = 2.44929277773461 (6.72661e-09% change) linmin: converged after 4 iterations. iteration 988: trace = 2.44929277748362 (1.02474e-08% change) linmin: converged after 16 iterations. iteration 989: trace = 2.449292777430113 (2.18461e-09% change) large trace change predicted (9.29698e-09%) linmin: converged after 10 iterations. iteration 990: trace = 2.449292777202406 (9.29684e-09% change) linmin: converged after 4 iterations. iteration 991: trace = 2.44929277696782 (9.57773e-09% change) linmin: converged after 18 iterations. iteration 992: trace = 2.449292776861291 (4.34938e-09% change) large trace change predicted (1.12244e-08%) linmin: converged after 2 iterations. iteration 993: trace = 2.449292776586386 (1.12238e-08% change) linmin: converged after 6 iterations. iteration 994: trace = 2.449292776349524 (9.67063e-09% change) linmin: converged after 5 iterations. iteration 995: trace = 2.449292776278055 (2.91793e-09% change) large trace change predicted (9.96082e-09%) linmin: converged after 4 iterations. iteration 996: trace = 2.449292776034087 (9.96075e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292775870198 (6.69129e-09% change) linmin: converged after 3 iterations. iteration 998: trace = 2.449292775812048 (2.37417e-09% change) large trace change predicted (7.34534e-09%) linmin: converged after 7 iterations. iteration 999: trace = 2.449292775632143 (7.34516e-09% change) linmin: converged after 7 iterations. iteration 1000: trace = 2.449292775487076 (5.92281e-09% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.449292775440195 (1.91405e-09% change) large trace change predicted (5.54556e-09%) linmin: converged after 5 iterations. iteration 1002: trace = 2.449292775304374 (5.54534e-09% change) linmin: converged after 7 iterations. iteration 1003: trace = 2.449292775126637 (7.25665e-09% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292775074531 (2.1274e-09% change) large trace change predicted (1.21033e-08%) linmin: converged after 6 iterations. iteration 1005: trace = 2.449292774778077 (1.21037e-08% change) linmin: converged after 8 iterations. iteration 1006: trace = 2.449292774512282 (1.08519e-08% change) linmin: converged after 18 iterations. iteration 1007: trace = 2.449292774367768 (5.90022e-09% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.449292774282644 (3.47545e-09% change) large trace change predicted (9.99848e-09%) linmin: converged after 4 iterations. iteration 1009: trace = 2.449292774037751 (9.9985e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292773823038 (8.76633e-09% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.449292773693298 (5.29707e-09% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.449292773530047 (6.6652e-09% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.449292773211893 (1.29896e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.4492927730975 (4.67047e-09% change) linmin: converged after 4 iterations. iteration 1015: trace = 2.44929277290337 (7.92598e-09% change) linmin: converged after 7 iterations. iteration 1016: trace = 2.449292772717558 (7.58633e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292772670309 (1.92908e-09% change) large trace change predicted (4.34693e-09%) linmin: converged after 4 iterations. iteration 1018: trace = 2.449292772563841 (4.34689e-09% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.449292772441809 (4.98232e-09% change) linmin: converged after 10 iterations. iteration 1020: trace = 2.449292772349872 (3.75362e-09% change) linmin: converged after 14 iterations. iteration 1021: trace = 2.449292772194014 (6.36339e-09% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292771984177 (8.56727e-09% change) linmin: converged after 7 iterations. iteration 1023: trace = 2.449292771864493 (4.88645e-09% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.449292771642871 (9.04842e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.44929277126778 (1.53143e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.449292771183107 (3.45706e-09% change) large trace change predicted (9.18166e-09%) linmin: converged after 4 iterations. iteration 1027: trace = 2.449292770958227 (9.18139e-09% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292770749206 (8.53392e-09% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292770651521 (3.98833e-09% change) large trace change predicted (9.64777e-09%) linmin: converged after 4 iterations. iteration 1030: trace = 2.449292770415231 (9.64726e-09% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.449292770083744 (1.3534e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.4492927700224 (2.50457e-09% change) large trace change predicted (8.77186e-09%) linmin: converged after 15 iterations. iteration 1033: trace = 2.449292769807539 (8.77235e-09% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292769616413 (7.80334e-09% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292769562297 (2.20943e-09% change) large trace change predicted (6.11638e-09%) linmin: converged after 13 iterations. iteration 1036: trace = 2.44929276941248 (6.11675e-09% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292769286351 (5.1496e-09% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.449292769224287 (2.53398e-09% change) linmin: converged after 19 iterations. iteration 1039: trace = 2.44929276910249 (4.97272e-09% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.449292768979161 (5.0353e-09% change) large trace change predicted (1.02177e-08%) linmin: converged after 7 iterations. iteration 1041: trace = 2.449292768728897 (1.02178e-08% change) linmin: converged after 25 iterations. iteration 1042: trace = 2.449292768668198 (2.47823e-09% change) large trace change predicted (1.08394e-08%) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292768402714 (1.08392e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292768186227 (8.83877e-09% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292768080908 (4.29995e-09% change) large trace change predicted (1.20036e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292767786905 (1.20036e-08% change) linmin: converged after 16 iterations. iteration 1047: trace = 2.449292767317353 (1.91709e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.4492927669618 (1.45166e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.449292766428851 (2.17593e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.449292765968325 (1.88024e-08% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.44929276571488 (1.03477e-08% change) linmin: converged after 6 iterations. iteration 1052: trace = 2.449292765371522 (1.40186e-08% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.449292765277895 (3.82265e-09% change) large trace change predicted (7.97857e-09%) linmin: converged after 6 iterations. iteration 1054: trace = 2.44929276508247 (7.97883e-09% change) linmin: converged after 9 iterations. iteration 1055: trace = 2.449292764915714 (6.80833e-09% change) linmin: converged after 10 iterations. iteration 1056: trace = 2.449292764819785 (3.91658e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292764727159 (3.78174e-09% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.449292764583072 (5.88282e-09% change) linmin: converged after 3 iterations. iteration 1059: trace = 2.449292764546222 (1.50452e-09% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.449292764473461 (2.97067e-09% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.449292764372156 (4.13608e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.44929276434261 (1.20631e-09% change) large trace change predicted (3.00343e-09%) linmin: converged after 23 iterations. iteration 1063: trace = 2.449292764269038 (3.00383e-09% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292764168866 (4.08983e-09% change) linmin: converged after 6 iterations. iteration 1065: trace = 2.449292764134953 (1.38458e-09% change) large trace change predicted (5.27524e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292764005743 (5.27542e-09% change) linmin: converged after 6 iterations. iteration 1067: trace = 2.449292763884682 (4.94269e-09% change) linmin: converged after 14 iterations. iteration 1068: trace = 2.449292763841545 (1.7612e-09% change) large trace change predicted (6.20926e-09%) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292763689454 (6.2096e-09% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.449292763603154 (3.52344e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.449292763560514 (1.74092e-09% change) large trace change predicted (4.86847e-09%) linmin: converged after 5 iterations. iteration 1072: trace = 2.449292763441272 (4.86842e-09% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.44929276332374 (4.79862e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.449292763290435 (1.35978e-09% change) large trace change predicted (4.88064e-09%) linmin: converged after 5 iterations. iteration 1075: trace = 2.449292763170891 (4.88075e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292763072989 (3.99716e-09% change) linmin: converged after 4 iterations. iteration 1077: trace = 2.449292762995178 (3.17688e-09% change) linmin: converged after 9 iterations. iteration 1078: trace = 2.449292762971944 (9.48595e-10% change) large trace change predicted (3.05053e-09%) linmin: converged after 4 iterations. iteration 1079: trace = 2.44929276289723 (3.05043e-09% change) linmin: converged after 13 iterations. iteration 1080: trace = 2.449292762855669 (1.69686e-09% change) linmin: converged after 12 iterations. iteration 1081: trace = 2.449292762837263 (7.51471e-10% change) large trace change predicted (2.23762e-09%) linmin: converged after 12 iterations. iteration 1082: trace = 2.44929276278246 (2.23753e-09% change) linmin: converged after 14 iterations. iteration 1083: trace = 2.449292762713095 (2.83202e-09% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.449292762687419 (1.04832e-09% change) large trace change predicted (5.03792e-09%) linmin: converged after 7 iterations. iteration 1085: trace = 2.449292762564024 (5.03799e-09% change) linmin: converged after 18 iterations. iteration 1086: trace = 2.449292762456729 (4.38065e-09% change) linmin: converged after 18 iterations. iteration 1087: trace = 2.449292762417846 (1.58749e-09% change) large trace change predicted (3.1791e-09%) linmin: converged after 3 iterations. iteration 1088: trace = 2.449292762339978 (3.17922e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292762236167 (4.23841e-09% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.449292762214396 (8.88852e-10% change) large trace change predicted (3.58121e-09%) linmin: converged after 4 iterations. iteration 1091: trace = 2.44929276212669 (3.5809e-09% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292762069378 (2.33992e-09% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.449292762012817 (2.30928e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.449292761982268 (1.24725e-09% change) large trace change predicted (3.10232e-09%) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292761906284 (3.10231e-09% change) linmin: converged after 15 iterations. iteration 1096: trace = 2.449292761891368 (6.08995e-10% change) large trace change predicted (1.63706e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292761851263 (1.63739e-09% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.449292761807737 (1.77711e-09% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.449292761793073 (5.98678e-10% change) large trace change predicted (1.42501e-09%) linmin: converged after 13 iterations. iteration 1100: trace = 2.449292761758168 (1.4251e-09% change) linmin: converged after 15 iterations. iteration 1101: trace = 2.449292761707303 (2.07673e-09% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.44929276169212 (6.1991e-10% change) large trace change predicted (1.7834e-09%) linmin: converged after 22 iterations. iteration 1103: trace = 2.449292761648443 (1.78323e-09% change) linmin: converged after 5 iterations. iteration 1104: trace = 2.449292761585703 (2.56158e-09% change) linmin: converged after 21 iterations. iteration 1105: trace = 2.449292761543351 (1.72913e-09% change) linmin: converged after 2 iterations. iteration 1106: trace = 2.449292761507111 (1.47962e-09% change) large trace change predicted (3.44618e-09%) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292761422707 (3.44604e-09% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.449292761353378 (2.83059e-09% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.449292761327601 (1.05241e-09% change) linmin: converged after 12 iterations. iteration 1110: trace = 2.44929276128173 (1.87282e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292761220391 (2.50435e-09% change) linmin: converged after 6 iterations. iteration 1112: trace = 2.449292761208689 (4.77779e-10% change) large trace change predicted (2.07531e-09%) linmin: converged after 4 iterations. iteration 1113: trace = 2.449292761157852 (2.0756e-09% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.449292761110674 (1.92616e-09% change) linmin: converged after 9 iterations. iteration 1115: trace = 2.44929276108564 (1.02212e-09% change) linmin: converged after 2 iterations. iteration 1116: trace = 2.449292761053592 (1.30847e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.449292761030066 (9.60489e-10% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.449292761024818 (2.14276e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.44929276101568 (3.73088e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.449292761007742 (3.24079e-10% change) linmin: converged after 10 iterations. iteration 1121: trace = 2.44929276100358 (1.69945e-10% change) large trace change predicted (7.80825e-10%) linmin: converged after 3 iterations. iteration 1122: trace = 2.449292760984458 (7.80717e-10% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.44929276096336 (8.61383e-10% change) linmin: converged after 8 iterations. iteration 1124: trace = 2.449292760939866 (9.5922e-10% change) linmin: converged after 18 iterations. iteration 1125: trace = 2.449292760897241 (1.74028e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.449292760848863 (1.97519e-09% change) linmin: converged after 5 iterations. iteration 1127: trace = 2.449292760837915 (4.4701e-10% change) large trace change predicted (2.25817e-09%) linmin: converged after 2 iterations. iteration 1128: trace = 2.44929276078261 (2.258e-09% change) linmin: converged after 8 iterations. iteration 1129: trace = 2.449292760754957 (1.12898e-09% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.449292760730642 (9.92763e-10% change) large trace change predicted (2.03515e-09%) linmin: converged after 7 iterations. iteration 1131: trace = 2.449292760680793 (2.03524e-09% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.449292760631572 (2.00959e-09% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.449292760604489 (1.10574e-09% change) large trace change predicted (2.32198e-09%) linmin: converged after 4 iterations. iteration 1134: trace = 2.44929276054762 (2.32188e-09% change) linmin: converged after 21 iterations. iteration 1135: trace = 2.4492927605003 (1.93198e-09% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.449292760486126 (5.78697e-10% change) large trace change predicted (1.34256e-09%) linmin: converged after 7 iterations. iteration 1137: trace = 2.449292760453242 (1.34259e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292760418562 (1.41593e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.449292760409395 (3.74267e-10% change) large trace change predicted (1.20718e-09%) linmin: converged after 7 iterations. iteration 1140: trace = 2.449292760379826 (1.20722e-09% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.449292760356247 (9.62719e-10% change) linmin: converged after 16 iterations. iteration 1142: trace = 2.449292760344707 (4.71124e-10% change) large trace change predicted (1.27546e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.449292760313462 (1.2757e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.449292760266365 (1.92286e-09% change) linmin: converged after 9 iterations. iteration 1145: trace = 2.449292760255133 (4.58577e-10% change) large trace change predicted (1.91525e-09%) linmin: converged after 6 iterations. iteration 1146: trace = 2.449292760208221 (1.91534e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292760169658 (1.57445e-09% change) linmin: converged after 19 iterations. iteration 1148: trace = 2.449292760156511 (5.3676e-10% change) large trace change predicted (1.9284e-09%) linmin: converged after 19 iterations. iteration 1149: trace = 2.449292760109271 (1.92874e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292760072884 (1.48561e-09% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.449292760044754 (1.14851e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760010435 (1.40117e-09% change) large trace change predicted (3.03388e-09%) linmin: converged after 2 iterations. iteration 1153: trace = 2.44929275993613 (3.03373e-09% change) linmin: converged after 8 iterations. iteration 1154: trace = 2.449292759906359 (1.21549e-09% change) linmin: converged after 15 iterations. iteration 1155: trace = 2.449292759858777 (1.94266e-09% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292759822857 (1.46657e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.449292759797514 (1.03468e-09% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.449292759789126 (3.42501e-10% change) large trace change predicted (1.0153e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292759764242 (1.01595e-09% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.449292759728197 (1.47165e-09% change) linmin: converged after 7 iterations. iteration 1161: trace = 2.449292759715638 (5.12754e-10% change) large trace change predicted (1.54497e-09%) linmin: converged after 8 iterations. iteration 1162: trace = 2.4492927596778 (1.54488e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.449292759626884 (2.07877e-09% change) linmin: converged after 6 iterations. iteration 1164: trace = 2.449292759608432 (7.53393e-10% change) large trace change predicted (2.37225e-09%) linmin: converged after 10 iterations. iteration 1165: trace = 2.449292759550325 (2.37239e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.449292759509685 (1.65925e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292759482831 (1.09638e-09% change) linmin: converged after 12 iterations. iteration 1168: trace = 2.449292759453837 (1.18378e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.449292759399416 (2.22188e-09% change) linmin: converged after 10 iterations. iteration 1170: trace = 2.449292759378642 (8.48183e-10% change) large trace change predicted (2.1927e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292759324932 (2.19287e-09% change) linmin: converged after 15 iterations. iteration 1172: trace = 2.449292759281017 (1.79297e-09% change) linmin: converged after 7 iterations. iteration 1173: trace = 2.449292759251759 (1.19453e-09% change) linmin: converged after 13 iterations. iteration 1174: trace = 2.449292759226954 (1.01278e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759191787 (1.43578e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292759176609 (6.19674e-10% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.449292759167176 (3.85146e-10% change) large trace change predicted (1.32493e-09%) linmin: converged after 14 iterations. iteration 1178: trace = 2.449292759134728 (1.3248e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.449292759103133 (1.28993e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.44929275909218 (4.47227e-10% change) large trace change predicted (1.78244e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292759048531 (1.78209e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.449292759012669 (1.4642e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292758991429 (8.67185e-10% change) large trace change predicted (1.92437e-09%) linmin: converged after 15 iterations. iteration 1184: trace = 2.449292758944294 (1.9244e-09% change) linmin: converged after 16 iterations. iteration 1185: trace = 2.449292758888086 (2.2949e-09% change) linmin: converged after 16 iterations. iteration 1186: trace = 2.449292758862216 (1.05622e-09% change) large trace change predicted (3.36071e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.4492927587799 (3.36079e-09% change) linmin: converged after 2 iterations. iteration 1188: trace = 2.449292758728909 (2.08187e-09% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.449292758646394 (3.36891e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.449292758570232 (3.10956e-09% change) linmin: converged after 5 iterations. iteration 1191: trace = 2.449292758528312 (1.71154e-09% change) linmin: converged after 6 iterations. iteration 1192: trace = 2.449292758463964 (2.62719e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.449292758444641 (7.8893e-10% change) large trace change predicted (1.66761e-09%) linmin: converged after 18 iterations. iteration 1194: trace = 2.449292758403796 (1.66759e-09% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.449292758371266 (1.32814e-09% change) linmin: converged after 7 iterations. iteration 1196: trace = 2.449292758357194 (5.74545e-10% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.449292758334138 (9.41324e-10% change) linmin: converged after 3 iterations. iteration 1198: trace = 2.449292758306159 (1.14236e-09% change) linmin: converged after 11 iterations. iteration 1199: trace = 2.449292758299229 (2.82921e-10% change) large trace change predicted (8.66803e-10%) linmin: converged after 9 iterations. iteration 1200: trace = 2.449292758277997 (8.66859e-10% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758256874 (8.62398e-10% change) linmin: converged after 6 iterations. iteration 1202: trace = 2.44929275825095 (2.41872e-10% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.44929275823966 (4.60953e-10% change) linmin: converged after 19 iterations. iteration 1204: trace = 2.449292758217747 (8.94672e-10% change) linmin: converged after 10 iterations. iteration 1205: trace = 2.449292758210747 (2.85804e-10% change) large trace change predicted (1.131e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.449292758183054 (1.13063e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292758157191 (1.05593e-09% change) linmin: converged after 8 iterations. iteration 1208: trace = 2.449292758128336 (1.17812e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758116175 (4.96526e-10% change) large trace change predicted (1.09776e-09%) linmin: converged after 6 iterations. iteration 1210: trace = 2.449292758089271 (1.09841e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.44929275807355 (6.41867e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758064461 (3.71076e-10% change) linmin: converged after 6 iterations. iteration 1213: trace = 2.449292758046835 (7.19632e-10% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.44929275802047 (1.07644e-09% change) linmin: converged after 3 iterations. iteration 1215: trace = 2.44929275801478 (2.32335e-10% change) large trace change predicted (8.12678e-10%) linmin: converged after 19 iterations. iteration 1216: trace = 2.449292757994878 (8.12537e-10% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292757980141 (6.01706e-10% change) linmin: converged after 3 iterations. iteration 1218: trace = 2.449292757974836 (2.16597e-10% change) large trace change predicted (5.59722e-10%) linmin: converged after 18 iterations. iteration 1219: trace = 2.449292757961126 (5.5975e-10% change) linmin: converged after 5 iterations. iteration 1220: trace = 2.449292757950947 (4.15588e-10% change) linmin: converged after 4 iterations. iteration 1221: trace = 2.449292757947216 (1.52303e-10% change) large trace change predicted (4.28529e-10%) linmin: converged after 6 iterations. iteration 1222: trace = 2.449292757936721 (4.28498e-10% change) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292757921767 (6.10554e-10% change) linmin: converged after 3 iterations. iteration 1224: trace = 2.449292757912874 (3.63098e-10% change) large trace change predicted (9.90502e-10%) linmin: converged after 9 iterations. iteration 1225: trace = 2.449292757888617 (9.90333e-10% change) linmin: converged after 15 iterations. iteration 1226: trace = 2.44929275786038 (1.15288e-09% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.449292757845739 (5.97753e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292757838752 (2.85278e-10% change) large trace change predicted (7.35967e-10%) linmin: converged after 4 iterations. iteration 1229: trace = 2.449292757820726 (7.35969e-10% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.449292757806199 (5.93094e-10% change) linmin: converged after 3 iterations. iteration 1231: trace = 2.449292757800715 (2.23904e-10% change) large trace change predicted (5.02954e-10%) linmin: converged after 4 iterations. iteration 1232: trace = 2.449292757788395 (5.03035e-10% change) linmin: converged after 13 iterations. iteration 1233: trace = 2.449292757772279 (6.57986e-10% change) linmin: converged after 7 iterations. iteration 1234: trace = 2.449292757767738 (1.85375e-10% change) large trace change predicted (5.15055e-10%) linmin: converged after 6 iterations. iteration 1235: trace = 2.449292757755121 (5.15129e-10% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.449292757747561 (3.0865e-10% change) linmin: converged after 6 iterations. iteration 1237: trace = 2.449292757741099 (2.63865e-10% change) linmin: converged after 3 iterations. iteration 1238: trace = 2.449292757736615 (1.83036e-10% change) linmin: converged after 6 iterations. iteration 1239: trace = 2.449292757727691 (3.64385e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292757725059 (1.07446e-10% change) large trace change predicted (3.94538e-10%) linmin: converged after 6 iterations. iteration 1241: trace = 2.449292757715408 (3.94012e-10% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.449292757707109 (3.38856e-10% change) linmin: converged after 2 iterations. iteration 1243: trace = 2.449292757703049 (1.65738e-10% change) large trace change predicted (5.3833e-10%) linmin: converged after 16 iterations. iteration 1244: trace = 2.449292757689868 (5.38156e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292757674787 (6.1574e-10% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.44929275766581 (3.66525e-10% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.449292757655007 (4.41044e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757641816 (5.38591e-10% change) linmin: converged after 6 iterations. iteration 1249: trace = 2.449292757632077 (3.9762e-10% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.449292757628572 (1.43092e-10% change) large trace change predicted (5.66461e-10%) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292757614693 (5.66676e-10% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292757604955 (3.97547e-10% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.44929275760057 (1.79065e-10% change) large trace change predicted (3.60655e-10%) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757591733 (3.60795e-10% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.449292757582814 (3.64131e-10% change) linmin: converged after 3 iterations. iteration 1256: trace = 2.449292757579361 (1.40989e-10% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 117.87190580368042 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861294823707 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854223892372 (0.318771% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310860216668 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172950204133 (0.0455393% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678864135456 (0.0998863% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170593955623 (0.0203681% change) linmin: converged after 6 iterations. iteration 7: trace = 2.494660906209061 (0.0204291% change) linmin: converged after 3 iterations. iteration 8: trace = 2.494390041883609 (0.0108584% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240374217128 (0.00600035% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053174731029 (0.00750555% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006825486339 (0.00185841% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.4938539337283 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809367813176 (0.00178705% change) large trace change predicted (0.00364813%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718828130056 (0.00363064% change) linmin: converged after 5 iterations. iteration 15: trace = 2.493653590997041 (0.00261609% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597478449508 (0.00225024% change) large trace change predicted (0.00494521%) linmin: converged after 5 iterations. iteration 17: trace = 2.493474380662515 (0.00493668% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424211282409 (0.00201205% change) large trace change predicted (0.00492523%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301803556187 (0.00490934% change) linmin: converged after 5 iterations. iteration 20: trace = 2.493243906051005 (0.00232215% change) large trace change predicted (0.00472084%) linmin: converged after 4 iterations. iteration 21: trace = 2.49312657023029 (0.00470626% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032187772082 (0.00378578% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931282130852 (0.00404759% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785228344313 (0.00585889% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694607675644 (0.00363538% change) linmin: converged after 3 iterations. iteration 26: trace = 2.49255659821512 (0.00553671% change) linmin: converged after 6 iterations. iteration 27: trace = 2.492504536387946 (0.00208871% change) large trace change predicted (0.00584589%) linmin: converged after 5 iterations. iteration 28: trace = 2.492359092471954 (0.00583542% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292349087578 (0.00267796% change) linmin: converged after 4 iterations. iteration 30: trace = 2.492204279010497 (0.00353376% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122077924615 (0.00329838% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088499467698 (0.00134739% change) large trace change predicted (0.00374959%) linmin: converged after 6 iterations. iteration 33: trace = 2.491995155120871 (0.0037457% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973065110292 (0.000886443% change) large trace change predicted (0.00384145%) linmin: converged after 7 iterations. iteration 35: trace = 2.49187743560066 (0.00383758% change) linmin: converged after 17 iterations. iteration 36: trace = 2.491799717427675 (0.00311891% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716656516858 (0.00333343% change) large trace change predicted (0.00753776%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529155564599 (0.00752525% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464441983394 (0.00259738% change) large trace change predicted (0.00785127%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269246541563 (0.00783487% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195511873895 (0.00295977% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085264280376 (0.00442559% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014765050342 (0.0028301% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969415878733 (0.00182053% change) large trace change predicted (0.0053874%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834911351619 (0.00539983% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789502484418 (0.00182305% change) large trace change predicted (0.0100849%) linmin: converged after 3 iterations. iteration 47: trace = 2.49053647452969 (0.0101591% change) linmin: converged after 20 iterations. iteration 48: trace = 2.490423740490455 (0.0045266% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250082384984 (0.00697328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020799246789 (0.00920766% change) linmin: converged after 5 iterations. iteration 51: trace = 2.489949055174652 (0.00288131% change) large trace change predicted (0.00946168%) linmin: converged after 3 iterations. iteration 52: trace = 2.48971117962506 (0.00955389% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658491902614 (0.00211624% change) large trace change predicted (0.00434355%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549898127971 (0.00436189% change) linmin: converged after 5 iterations. iteration 55: trace = 2.48947062557736 (0.00318426% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407081986692 (0.00255253% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315107827438 (0.00369469% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272616817455 (0.00170695% change) large trace change predicted (0.0035833%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183274694564 (0.00358915% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147397629161 (0.00144133% change) large trace change predicted (0.00337187%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063390627739 (0.00337499% change) linmin: converged after 7 iterations. iteration 62: trace = 2.489014206089442 (0.00197605% change) linmin: converged after 3 iterations. iteration 63: trace = 2.488950741324421 (0.00254983% change) linmin: converged after 3 iterations. iteration 64: trace = 2.488865312927528 (0.00343236% change) linmin: converged after 9 iterations. iteration 65: trace = 2.48882896850126 (0.00146029% change) linmin: converged after 3 iterations. iteration 66: trace = 2.48876392857978 (0.00261331% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735831145782 (0.00112898% change) large trace change predicted (0.00312832%) linmin: converged after 4 iterations. iteration 68: trace = 2.488658025727338 (0.00312635% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603332566496 (0.00219772% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574488312971 (0.00115906% change) large trace change predicted (0.00249044%) linmin: converged after 3 iterations. iteration 71: trace = 2.48851254333619 (0.00248921% change) linmin: converged after 4 iterations. iteration 72: trace = 2.488484811407522 (0.0011144% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451517226611 (0.00133794% change) large trace change predicted (0.00319143%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372331770319 (0.00318217% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356743306831 (0.000626454% change) large trace change predicted (0.00189955%) linmin: converged after 17 iterations. iteration 76: trace = 2.488309528844206 (0.00189743% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271470308082 (0.00152951% change) linmin: converged after 6 iterations. iteration 78: trace = 2.48825801210287 (0.000540867% change) large trace change predicted (0.00171403%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215444516833 (0.00171075% change) linmin: converged after 5 iterations. iteration 80: trace = 2.488166265906318 (0.00197648% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145088281531 (0.000851137% change) linmin: converged after 8 iterations. iteration 82: trace = 2.488106107642166 (0.00156667% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066356131985 (0.00159767% change) linmin: converged after 4 iterations. iteration 84: trace = 2.488048660012617 (0.000711242% change) large trace change predicted (0.00194535%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000407478186 (0.00193939% change) linmin: converged after 12 iterations. iteration 86: trace = 2.487937964026419 (0.00250982% change) linmin: converged after 7 iterations. iteration 87: trace = 2.487919669342228 (0.000735338% change) large trace change predicted (0.00295757%) linmin: converged after 9 iterations. iteration 88: trace = 2.487846129611174 (0.00295592% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797914847537 (0.00193803% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776324147264 (0.000867868% change) large trace change predicted (0.00215009%) linmin: converged after 10 iterations. iteration 91: trace = 2.487722850374884 (0.00214948% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710832915366 (0.000483072% change) large trace change predicted (0.00124415%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679892050236 (0.00124376% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653052696605 (0.0010789% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630523528716 (0.000905644% change) linmin: converged after 3 iterations. iteration 96: trace = 2.487599187541065 (0.00125968% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540234500335 (0.00236991% change) linmin: converged after 4 iterations. iteration 98: trace = 2.487521680053145 (0.000745898% change) linmin: converged after 3 iterations. iteration 99: trace = 2.48749369234538 (0.00112513% change) linmin: converged after 4 iterations. iteration 100: trace = 2.487462280776408 (0.00126279% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745538317346 (0.000277295% change) large trace change predicted (0.000932189%) linmin: converged after 4 iterations. iteration 102: trace = 2.487432232946961 (0.000930683% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405053164896 (0.00109269% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396826845584 (0.000330719% change) large trace change predicted (0.00148287%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359850426164 (0.00148656% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331104378208 (0.00115569% change) linmin: converged after 3 iterations. iteration 107: trace = 2.487319503966435 (0.000466381% change) large trace change predicted (0.00232124%) linmin: converged after 3 iterations. iteration 108: trace = 2.487261660731532 (0.00232555% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237139175291 (0.000985891% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206689245876 (0.00122425% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487173039153497 (0.00135294% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160582945407 (0.000500819% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141962003475 (0.000748686% change) linmin: converged after 4 iterations. iteration 114: trace = 2.48711156923264 (0.001222% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101755939142 (0.000394567% change) large trace change predicted (0.000796849%) linmin: converged after 4 iterations. iteration 116: trace = 2.48708194273615 (0.000796641% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063696706578 (0.000733635% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055332252373 (0.000336319% change) large trace change predicted (0.00104762%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029269408359 (0.00104795% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487008045615736 (0.000853383% change) linmin: converged after 6 iterations. iteration 121: trace = 2.48700017167732 (0.000316603% change) large trace change predicted (0.000982653%) linmin: converged after 3 iterations. iteration 122: trace = 2.486975733197829 (0.000982654% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952916262832 (0.000917461% change) linmin: converged after 2 iterations. iteration 124: trace = 2.48694005832716 (0.000517017% change) large trace change predicted (0.00230729%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730276597 (0.00230519% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843517538343 (0.0015768% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783802235894 (0.00240128% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698778470992 (0.00341908% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661370526541 (0.00150433% change) linmin: converged after 4 iterations. iteration 130: trace = 2.486623166420387 (0.00153637% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591360895059 (0.00127907% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581571046237 (0.000393706% change) large trace change predicted (0.000967222%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557511365659 (0.000967585% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535889996014 (0.000869534% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525791526607 (0.000406127% change) large trace change predicted (0.0013309%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492674495266 (0.00133187% change) linmin: converged after 3 iterations. iteration 137: trace = 2.486468592737199 (0.000968508% change) linmin: converged after 8 iterations. iteration 138: trace = 2.486461349200129 (0.000291319% change) large trace change predicted (0.000628824%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445714945586 (0.000628777% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.486440364077793 (0.000215202% change) linmin: converged after 3 iterations. iteration 141: trace = 2.48643689442398 (0.000139543% change) large trace change predicted (0.000493667%) linmin: converged after 5 iterations. iteration 142: trace = 2.486424630862111 (0.00049322% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421645138631 (0.000120081% change) large trace change predicted (0.00052143%) linmin: converged after 9 iterations. iteration 144: trace = 2.48640869659411 (0.000520772% change) linmin: converged after 4 iterations. iteration 145: trace = 2.486392039075713 (0.000669945% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387568137675 (0.000179816% change) large trace change predicted (0.000453974%) linmin: converged after 4 iterations. iteration 147: trace = 2.486376278695008 (0.000454051% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363701246483 (0.000505856% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359977647575 (0.000149761% change) large trace change predicted (0.000896594%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337671144955 (0.000897159% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322945990872 (0.000592244% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310311991143 (0.000508141% change) linmin: converged after 3 iterations. iteration 153: trace = 2.48628834262749 (0.000883617% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270777770409 (0.000706472% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265100022484 (0.000228364% change) large trace change predicted (0.000475066%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253277978252 (0.000475495% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244584253122 (0.000349672% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241802712577 (0.000111877% change) large trace change predicted (0.000398101%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901505214 (0.000398241% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229510742024 (9.61602e-05% change) large trace change predicted (0.000223303%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223958656125 (0.000223314% change) linmin: converged after 5 iterations. iteration 162: trace = 2.486219153101501 (0.000193287% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216749691723 (9.66693e-05% change) large trace change predicted (0.00028739%) linmin: converged after 4 iterations. iteration 164: trace = 2.486209611799701 (0.000287099% change) linmin: converged after 4 iterations. iteration 165: trace = 2.486198939073596 (0.000429278% change) linmin: converged after 4 iterations. iteration 166: trace = 2.486196075316957 (0.000115186% change) large trace change predicted (0.000263943%) linmin: converged after 3 iterations. iteration 167: trace = 2.486189515898882 (0.000263834% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181677693373 (0.00031527% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178980746995 (0.000108478% change) large trace change predicted (0.000243339%) linmin: converged after 3 iterations. iteration 170: trace = 2.486172932037342 (0.000243294% change) linmin: converged after 6 iterations. iteration 171: trace = 2.486164268379485 (0.000348474% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160749798842 (0.000141527% change) large trace change predicted (0.000307656%) linmin: converged after 4 iterations. iteration 173: trace = 2.48615310281474 (0.000307583% change) linmin: converged after 13 iterations. iteration 174: trace = 2.486145978824816 (0.000286547% change) linmin: converged after 4 iterations. iteration 175: trace = 2.486143489981627 (0.000100109% change) large trace change predicted (0.000285133%) linmin: converged after 5 iterations. iteration 176: trace = 2.486136403667667 (0.000285033% change) linmin: converged after 3 iterations. iteration 177: trace = 2.486131847476408 (0.000183264% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129089392494 (0.000110939% change) linmin: converged after 4 iterations. iteration 179: trace = 2.486124817015899 (0.000171849% change) linmin: converged after 3 iterations. iteration 180: trace = 2.48612236315362 (9.87023e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119062160494 (0.000132777% change) large trace change predicted (0.000341427%) linmin: converged after 4 iterations. iteration 182: trace = 2.4861105797808 (0.00034119% change) linmin: converged after 7 iterations. iteration 183: trace = 2.486106060532093 (0.00018178% change) linmin: converged after 5 iterations. iteration 184: trace = 2.486103655763718 (9.67284e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099626625522 (0.000162067% change) linmin: converged after 7 iterations. iteration 186: trace = 2.486095981949239 (0.000146602% change) linmin: converged after 4 iterations. iteration 187: trace = 2.486093698477957 (9.18497e-05% change) large trace change predicted (0.000189809%) linmin: converged after 3 iterations. iteration 188: trace = 2.486088979475488 (0.000189816% change) linmin: converged after 4 iterations. iteration 189: trace = 2.48608690303075 (8.35226e-05% change) large trace change predicted (0.000213472%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081594103196 (0.000213546% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075453278893 (0.000247008% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072831976526 (0.000105439% change) linmin: converged after 3 iterations. iteration 193: trace = 2.4860679699097 (0.000195572% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062912554137 (0.000203428% change) linmin: converged after 4 iterations. iteration 195: trace = 2.486061531735453 (5.55424e-05% change) large trace change predicted (0.000142%) linmin: converged after 4 iterations. iteration 196: trace = 2.486057999578007 (0.000142079% change) linmin: converged after 5 iterations. iteration 197: trace = 2.486054808772496 (0.000128348% change) linmin: converged after 3 iterations. iteration 198: trace = 2.48605378060835 (4.13573e-05% change) large trace change predicted (9.41783e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051438129305 (9.42248e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.486048715755478 (0.000109506% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047264557858 (5.83737e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045469216303 (7.22167e-05% change) large trace change predicted (0.000221725%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039953169782 (0.000221881% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486039052344386 (3.62354e-05% change) large trace change predicted (0.000205339%) linmin: converged after 5 iterations. iteration 205: trace = 2.48603394525744 (0.000205431% change) linmin: converged after 4 iterations. iteration 206: trace = 2.486031440356014 (0.000100759% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030262167184 (4.73924e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.486028013530505 (9.04509e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486025018789553 (0.000120463% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.486023490495198 (6.14754e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.48602166290103 (7.35148e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486020612198732 (4.22644e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 2.486018869972251 (7.0081e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.48601666176142 (8.88252e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.48601553870887 (4.51748e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.486013568363215 (7.92572e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.486011370528944 (8.8408e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.486010571011795 (3.21606e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.486009406007689 (4.68624e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.486007496049898 (7.68283e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486007097673618 (1.60247e-05% change) large trace change predicted (9.33328e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.486004778739243 (9.32795e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486003289766493 (5.98942e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486002283893566 (4.04615e-05% change) large trace change predicted (8.70104e-05%) linmin: converged after 5 iterations. iteration 225: trace = 2.486000121159814 (8.69965e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.485997425034041 (0.000108452% change) linmin: converged after 9 iterations. iteration 227: trace = 2.485996163125309 (5.07607e-05% change) large trace change predicted (0.000151638%) linmin: converged after 3 iterations. iteration 228: trace = 2.485992393875975 (0.000151619% change) linmin: converged after 4 iterations. iteration 229: trace = 2.485989733002224 (0.000107035% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485988693714676 (4.18058e-05% change) large trace change predicted (0.000117502%) linmin: converged after 4 iterations. iteration 231: trace = 2.485985772719453 (0.000117498% change) linmin: converged after 3 iterations. iteration 232: trace = 2.485984443995183 (5.34486e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.485982851734076 (6.40495e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.485980885310167 (7.91005e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485979858206526 (4.13158e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.485978209871819 (6.63053e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.48597582834629 (9.57984e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.485974912326365 (3.68475e-05% change) large trace change predicted (8.70141e-05%) linmin: converged after 4 iterations. iteration 239: trace = 2.485972748667882 (8.70346e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.485971492712208 (5.05217e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485970973928371 (2.08685e-05% change) large trace change predicted (5.40368e-05%) linmin: converged after 6 iterations. iteration 242: trace = 2.485969630536715 (5.40389e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.485967559831264 (8.32957e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485967078739419 (1.93523e-05% change) large trace change predicted (8.2354e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.485965031323315 (8.2359e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.485962640659584 (9.61665e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485961944036905 (2.80223e-05% change) large trace change predicted (0.000151146%) linmin: converged after 4 iterations. iteration 248: trace = 2.485958185151954 (0.000151205% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485956960222452 (4.9274e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485955150742278 (7.27881e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485953066285371 (8.38494e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485952164881962 (3.62599e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.485950800249106 (5.48938e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485948205009592 (0.000104396% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485947601448794 (2.42789e-05% change) large trace change predicted (5.97318e-05%) linmin: converged after 4 iterations. iteration 256: trace = 2.485946116174774 (5.97468e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.485944524338768 (6.40334e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485943911939749 (2.46345e-05% change) large trace change predicted (5.0313e-05%) linmin: converged after 15 iterations. iteration 259: trace = 2.485942661183049 (5.03132e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.485941103862217 (6.26451e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485940744162713 (1.44694e-05% change) large trace change predicted (8.07906e-05%) linmin: converged after 3 iterations. iteration 262: trace = 2.485938736422496 (8.07638e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.485937070192094 (6.70262e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.485936394434843 (2.71832e-05% change) large trace change predicted (7.49784e-05%) linmin: converged after 8 iterations. iteration 265: trace = 2.485934530771025 (7.49683e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.485932254701447 (9.15579e-05% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485931133415977 (4.51052e-05% change) large trace change predicted (0.000103874%) linmin: converged after 4 iterations. iteration 268: trace = 2.485928553014296 (0.0001038% change) linmin: converged after 3 iterations. iteration 269: trace = 2.485926983853744 (6.31217e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485926089404439 (3.59805e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485924390151787 (6.83549e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.485923218224088 (4.71425e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.485922138723549 (4.34245e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485920888319217 (5.02994e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.485920113174555 (3.11814e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485918807819563 (5.25099e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485917542684775 (5.08921e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.485917216708569 (1.31129e-05% change) large trace change predicted (3.23434e-05%) linmin: converged after 2 iterations. iteration 279: trace = 2.485916412678185 (3.23434e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915854614772 (2.2449e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.485915604839614 (1.00476e-05% change) large trace change predicted (3.13564e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.485914825426478 (3.13532e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.485913935720369 (3.57899e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.485913602026633 (1.34234e-05% change) large trace change predicted (4.71743e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.485912430014779 (4.71461e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.485911610531108 (3.29651e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.485911233500578 (1.51667e-05% change) large trace change predicted (3.64809e-05%) linmin: converged after 4 iterations. iteration 288: trace = 2.485910326580237 (3.64824e-05% change) linmin: converged after 4 iterations. iteration 289: trace = 2.485909660726284 (2.67851e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485908543743136 (4.49326e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.48590702865525 (6.09471e-05% change) linmin: converged after 6 iterations. iteration 292: trace = 2.485906460482644 (2.28557e-05% change) linmin: converged after 5 iterations. iteration 293: trace = 2.485905405789129 (4.24269e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485904090084648 (5.29266e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.4859038167858 (1.09939e-05% change) large trace change predicted (3.55819e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902932019473 (3.55913e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.485902210676486 (2.90173e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.485901645474348 (2.27363e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.485901281643706 (1.46358e-05% change) large trace change predicted (3.45878e-05%) linmin: converged after 3 iterations. iteration 300: trace = 2.485900421822486 (3.45879e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.485900255980168 (6.67132e-06% change) large trace change predicted (2.61477e-05%) linmin: converged after 5 iterations. iteration 302: trace = 2.485899605899899 (2.61507e-05% change) linmin: converged after 6 iterations. iteration 303: trace = 2.485898894206893 (2.86292e-05% change) linmin: converged after 4 iterations. iteration 304: trace = 2.485898680576151 (8.5937e-06% change) large trace change predicted (3.4018e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.485897834986386 (3.40155e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.485897110045423 (2.91621e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.485896884702557 (9.06485e-06% change) large trace change predicted (2.94314e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.485896153256249 (2.94238e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.485895610553827 (2.18313e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.485895372859215 (9.56173e-06% change) large trace change predicted (2.56914e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.485894734361974 (2.56848e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.485893943895731 (3.17981e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.48589372298764 (8.88647e-06% change) large trace change predicted (1.8117e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.485893272793051 (1.811e-05% change) linmin: converged after 7 iterations. iteration 315: trace = 2.485892693143444 (2.33176e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485892581999734 (4.47098e-06% change) large trace change predicted (2.28637e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.485892013736819 (2.28595e-05% change) linmin: converged after 9 iterations. iteration 318: trace = 2.485891796052413 (8.75679e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.485891534558626 (1.05191e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.485891109768906 (1.7088e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.485890687364705 (1.69921e-05% change) linmin: converged after 11 iterations. iteration 322: trace = 2.485890419178516 (1.07883e-05% change) large trace change predicted (2.48834e-05%) linmin: converged after 3 iterations. iteration 323: trace = 2.485889800734375 (2.48782e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.485889500881436 (1.20622e-05% change) linmin: converged after 5 iterations. iteration 325: trace = 2.485889304231886 (7.91063e-06% change) large trace change predicted (1.89391e-05%) linmin: converged after 3 iterations. iteration 326: trace = 2.485888833500975 (1.89361e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.485888532237391 (1.21189e-05% change) linmin: converged after 3 iterations. iteration 328: trace = 2.485888224327214 (1.23863e-05% change) large trace change predicted (2.88287e-05%) linmin: converged after 3 iterations. iteration 329: trace = 2.485887507641941 (2.88302e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.485887321590134 (7.48432e-06% change) large trace change predicted (2.62286e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.485886669509031 (2.62313e-05% change) linmin: converged after 17 iterations. iteration 332: trace = 2.485886271546526 (1.60089e-05% change) linmin: converged after 23 iterations. iteration 333: trace = 2.485886036669849 (9.44841e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.485885727686369 (1.24295e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.485885463547331 (1.06256e-05% change) linmin: converged after 5 iterations. iteration 336: trace = 2.48588538035897 (3.34643e-06% change) large trace change predicted (7.91677e-06%) linmin: converged after 3 iterations. iteration 337: trace = 2.485885183544672 (7.91727e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.485884977341013 (8.29498e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.4858849238718 (2.15091e-06% change) large trace change predicted (1.14147e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.485884640050627 (1.14173e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.485884455890573 (7.40823e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.48588431959591 (5.48274e-06% change) large trace change predicted (1.25046e-05%) linmin: converged after 3 iterations. iteration 343: trace = 2.485884008707377 (1.25062e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.485883631919509 (1.51571e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883543829701 (3.5436e-06% change) large trace change predicted (1.38635e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.485883199158217 (1.38652e-05% change) linmin: converged after 5 iterations. iteration 347: trace = 2.485883040870831 (6.36745e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.485882925940942 (4.6233e-06% change) large trace change predicted (3.41652e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.485882076662393 (3.41641e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.485881531845951 (2.19164e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.485881420376806 (4.48409e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.485881210121353 (8.45798e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881016334936 (7.79548e-06% change) linmin: converged after 23 iterations. iteration 354: trace = 2.485880937761203 (3.1608e-06% change) large trace change predicted (1.07913e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.485880669553119 (1.07893e-05% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880540272528 (5.2006e-06% change) linmin: converged after 12 iterations. iteration 357: trace = 2.485880411295024 (5.1884e-06% change) linmin: converged after 16 iterations. iteration 358: trace = 2.485880205524116 (8.27759e-06% change) linmin: converged after 5 iterations. iteration 359: trace = 2.485880077288831 (5.15855e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.485879944471353 (5.34288e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.485879801549053 (5.74936e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485879707457223 (3.78505e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.485879634528129 (2.93373e-06% change) large trace change predicted (8.03772e-06%) linmin: converged after 4 iterations. iteration 364: trace = 2.485879434740679 (8.03689e-06% change) linmin: converged after 28 iterations. iteration 365: trace = 2.485879331367719 (4.15841e-06% change) large trace change predicted (9.29068e-06%) linmin: converged after 4 iterations. iteration 366: trace = 2.485879100454452 (9.289e-06% change) linmin: converged after 5 iterations. iteration 367: trace = 2.485878837064779 (1.05954e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485878729131869 (4.34184e-06% change) large trace change predicted (1.2098e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878428408305 (1.20973e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878073758307 (1.42666e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.485877981221552 (3.7225e-06% change) large trace change predicted (1.13229e-05%) linmin: converged after 25 iterations. iteration 372: trace = 2.485877699742548 (1.13231e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.485877484507991 (8.65829e-06% change) linmin: converged after 4 iterations. iteration 374: trace = 2.485877418337438 (2.66186e-06% change) large trace change predicted (7.70211e-06%) linmin: converged after 4 iterations. iteration 375: trace = 2.485877226856576 (7.70275e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877013790351 (8.57107e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.485876955746806 (2.33493e-06% change) large trace change predicted (1.01283e-05%) linmin: converged after 4 iterations. iteration 378: trace = 2.485876703951327 (1.0129e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.485876519710565 (7.4115e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876419522392 (4.0303e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.48587629009486 (5.20652e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876114997457 (7.04369e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876067118848 (1.92603e-06% change) large trace change predicted (5.9119e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485875920162212 (5.91166e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485875699790946 (8.86493e-06% change) linmin: converged after 2 iterations. iteration 386: trace = 2.485875637547403 (2.50389e-06% change) large trace change predicted (1.44752e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.485875277674114 (1.44767e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.48587516732283 (4.43913e-06% change) large trace change predicted (1.0271e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.485874911966766 (1.02723e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874724965145 (7.52257e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874585810329 (5.59782e-06% change) linmin: converged after 2 iterations. iteration 392: trace = 2.485874475007122 (4.45731e-06% change) large trace change predicted (9.21703e-06%) linmin: converged after 5 iterations. iteration 393: trace = 2.485874245862277 (9.21788e-06% change) linmin: converged after 2 iterations. iteration 394: trace = 2.485874097138778 (5.98274e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.485874018548325 (3.16148e-06% change) large trace change predicted (9.11319e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.485873792000316 (9.11342e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873650025204 (5.71128e-06% change) linmin: converged after 2 iterations. iteration 398: trace = 2.485873575026428 (3.017e-06% change) large trace change predicted (6.83041e-06%) linmin: converged after 3 iterations. iteration 399: trace = 2.485873405232691 (6.83035e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.485873334427557 (2.8483e-06% change) linmin: converged after 8 iterations. iteration 401: trace = 2.485873226746033 (4.33174e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.485873102627311 (4.99296e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873013082879 (3.60213e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.485872848650845 (6.61466e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872606465885 (9.74245e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.485872500525659 (4.26169e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.485872340775921 (6.4263e-06% change) linmin: converged after 4 iterations. iteration 408: trace = 2.485872127636879 (8.57401e-06% change) linmin: converged after 27 iterations. iteration 409: trace = 2.485871977664941 (6.03297e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.48587178743392 (7.65249e-06% change) linmin: converged after 14 iterations. iteration 411: trace = 2.485871653136878 (5.40241e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871591977778 (2.46027e-06% change) large trace change predicted (5.14357e-06%) linmin: converged after 4 iterations. iteration 413: trace = 2.485871464120002 (5.14338e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871293319661 (6.87084e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.485871249562674 (1.76023e-06% change) large trace change predicted (6.72001e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.48587108249018 (6.72088e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.485870984250105 (3.95194e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485870952548725 (1.27526e-06% change) large trace change predicted (3.18047e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.485870873482373 (3.18063e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 420: trace = 2.485870826185133 (1.90264e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.485870804992696 (8.52516e-07% change) large trace change predicted (3.67275e-06%) linmin: converged after 16 iterations. iteration 422: trace = 2.485870713703668 (3.67232e-06% change) linmin: converged after 6 iterations. iteration 423: trace = 2.485870649459652 (2.58437e-06% change) linmin: converged after 26 iterations. iteration 424: trace = 2.485870579195577 (2.82654e-06% change) large trace change predicted (6.14005e-06%) linmin: converged after 3 iterations. iteration 425: trace = 2.48587042658298 (6.1392e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870387733369 (1.56282e-06% change) large trace change predicted (3.80478e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.48587029315704 (3.80456e-06% change) linmin: converged after 2 iterations. iteration 428: trace = 2.485870201672891 (3.68017e-06% change) linmin: converged after 10 iterations. iteration 429: trace = 2.485870167072535 (1.39188e-06% change) large trace change predicted (5.75033e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.485870024103886 (5.75125e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.485869898548686 (5.05075e-06% change) linmin: converged after 4 iterations. iteration 432: trace = 2.485869844610689 (2.16978e-06% change) large trace change predicted (5.09535e-06%) linmin: converged after 5 iterations. iteration 433: trace = 2.485869717931538 (5.09597e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869570860758 (5.91627e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.485869538405462 (1.30559e-06% change) large trace change predicted (5.01784e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.48586941365184 (5.01851e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.485869353111046 (2.4354e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.485869325966736 (1.09194e-06% change) large trace change predicted (2.91817e-06%) linmin: converged after 2 iterations. iteration 439: trace = 2.485869253421938 (2.91829e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.485869187405435 (2.65567e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.485869154122661 (1.33888e-06% change) large trace change predicted (3.93182e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.485869056381857 (3.93186e-06% change) linmin: converged after 7 iterations. iteration 443: trace = 2.485868990631439 (2.64497e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.485868950514359 (1.61381e-06% change) large trace change predicted (3.49854e-06%) linmin: converged after 11 iterations. iteration 445: trace = 2.48586886354771 (3.49844e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.48586877851952 (3.42046e-06% change) linmin: converged after 9 iterations. iteration 447: trace = 2.485868752222224 (1.05787e-06% change) large trace change predicted (3.20654e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.485868672520881 (3.20618e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.485868616373929 (2.25865e-06% change) linmin: converged after 7 iterations. iteration 450: trace = 2.485868588677285 (1.11416e-06% change) large trace change predicted (3.17835e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.485868509679706 (3.17787e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.48586843517151 (2.99727e-06% change) linmin: converged after 2 iterations. iteration 453: trace = 2.485868392214075 (1.72807e-06% change) linmin: converged after 20 iterations. iteration 454: trace = 2.485868313100681 (3.18253e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868274828585 (1.53959e-06% change) linmin: converged after 2 iterations. iteration 456: trace = 2.485868253101239 (8.74034e-07% change) large trace change predicted (2.03344e-06%) linmin: converged after 8 iterations. iteration 457: trace = 2.485868202554756 (2.03335e-06% change) linmin: converged after 7 iterations. iteration 458: trace = 2.485868180754217 (8.76979e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.485868151906752 (1.16046e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586810987279 (1.69092e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.485868059976598 (2.00719e-06% change) linmin: converged after 11 iterations. iteration 462: trace = 2.485868030641332 (1.18008e-06% change) large trace change predicted (3.03729e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.485867955143797 (3.03707e-06% change) linmin: converged after 7 iterations. iteration 464: trace = 2.485867933956875 (8.52295e-07% change) linmin: converged after 18 iterations. iteration 465: trace = 2.485867898022732 (1.44554e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867844866589 (2.13833e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867827753335 (6.88422e-07% change) large trace change predicted (2.05603e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.48586777664503 (2.05595e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.485867700976697 (3.04394e-06% change) linmin: converged after 6 iterations. iteration 470: trace = 2.485867681369146 (7.88761e-07% change) large trace change predicted (2.85284e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867610450966 (2.85285e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867560946671 (1.99143e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867528400795 (1.30924e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.485867502088975 (1.05846e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.485867470495856 (1.27091e-06% change) linmin: converged after 17 iterations. iteration 476: trace = 2.485867464037915 (2.59786e-07% change) large trace change predicted (8.49973e-07%) linmin: converged after 3 iterations. iteration 477: trace = 2.485867442908187 (8.49994e-07% change) linmin: converged after 5 iterations. iteration 478: trace = 2.485867424065592 (7.57989e-07% change) linmin: converged after 24 iterations. iteration 479: trace = 2.485867415467713 (3.4587e-07% change) large trace change predicted (1.17432e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.485867386273996 (1.17439e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.485867357807119 (1.14515e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867343996171 (5.55579e-07% change) linmin: converged after 2 iterations. iteration 483: trace = 2.485867316968237 (1.08726e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.48586729751084 (7.82721e-07% change) linmin: converged after 3 iterations. iteration 485: trace = 2.485867273695258 (9.58039e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.485867232206363 (1.66899e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.485867213588743 (7.48939e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867197120823 (6.62462e-07% change) large trace change predicted (3.32071e-06%) linmin: converged after 3 iterations. iteration 489: trace = 2.48586711456449 (3.32103e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.485867057641508 (2.28986e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867045958281 (4.69986e-07% change) large trace change predicted (1.18401e-06%) linmin: converged after 2 iterations. iteration 492: trace = 2.485867016525217 (1.18402e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.485866998923883 (7.08056e-07% change) linmin: converged after 6 iterations. iteration 494: trace = 2.48586698163748 (6.95387e-07% change) linmin: converged after 4 iterations. iteration 495: trace = 2.485866953304781 (1.13975e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.485866942582915 (4.31313e-07% change) linmin: converged after 12 iterations. iteration 497: trace = 2.485866926918081 (6.30156e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.4858669057752 (8.50523e-07% change) linmin: converged after 5 iterations. iteration 499: trace = 2.485866895686453 (4.05844e-07% change) linmin: converged after 10 iterations. iteration 500: trace = 2.485866878962881 (6.72746e-07% change) linmin: converged after 4 iterations. iteration 501: trace = 2.485866862334349 (6.68923e-07% change) linmin: converged after 23 iterations. iteration 502: trace = 2.485866855253454 (2.84846e-07% change) linmin: converged after 5 iterations. iteration 503: trace = 2.485866841566453 (5.50593e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.485866821485023 (8.07824e-07% change) linmin: converged after 9 iterations. iteration 505: trace = 2.485866815467968 (2.42051e-07% change) large trace change predicted (1.31005e-06%) linmin: converged after 5 iterations. iteration 506: trace = 2.485866782902573 (1.31002e-06% change) linmin: converged after 13 iterations. iteration 507: trace = 2.485866758698175 (9.7368e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866745310048 (5.3857e-07% change) large trace change predicted (1.65922e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.485866704064841 (1.65919e-06% change) linmin: converged after 10 iterations. iteration 510: trace = 2.485866675385664 (1.15369e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.485866651966378 (9.42097e-07% change) linmin: converged after 2 iterations. iteration 512: trace = 2.485866617539643 (1.3849e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.48586659685221 (8.32202e-07% change) linmin: converged after 23 iterations. iteration 514: trace = 2.485866587209584 (3.87898e-07% change) large trace change predicted (9.62888e-07%) linmin: converged after 3 iterations. iteration 515: trace = 2.485866563272827 (9.62914e-07% change) linmin: converged after 2 iterations. iteration 516: trace = 2.485866544787994 (7.43597e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.485866532302611 (5.02255e-07% change) large trace change predicted (1.12845e-06%) linmin: converged after 19 iterations. iteration 518: trace = 2.485866504250144 (1.12848e-06% change) linmin: converged after 7 iterations. iteration 519: trace = 2.485866482402194 (8.78887e-07% change) linmin: converged after 7 iterations. iteration 520: trace = 2.485866470636628 (4.73298e-07% change) linmin: converged after 18 iterations. iteration 521: trace = 2.485866457128474 (5.43398e-07% change) linmin: converged after 2 iterations. iteration 522: trace = 2.485866434636247 (9.04804e-07% change) linmin: converged after 16 iterations. iteration 523: trace = 2.485866429450478 (2.0861e-07% change) large trace change predicted (7.45031e-07%) linmin: converged after 4 iterations. iteration 524: trace = 2.485866410930361 (7.45017e-07% change) linmin: converged after 6 iterations. iteration 525: trace = 2.485866386554031 (9.80597e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.485866379448863 (2.85823e-07% change) large trace change predicted (1.33751e-06%) linmin: converged after 3 iterations. iteration 527: trace = 2.485866346199174 (1.33755e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.485866325278606 (8.41581e-07% change) linmin: converged after 16 iterations. iteration 529: trace = 2.485866308319103 (6.82237e-07% change) linmin: converged after 26 iterations. iteration 530: trace = 2.485866286243084 (8.88061e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.48586627228336 (5.61564e-07% change) linmin: converged after 3 iterations. iteration 532: trace = 2.485866254795329 (7.03498e-07% change) linmin: converged after 2 iterations. iteration 533: trace = 2.485866225060005 (1.19618e-06% change) linmin: converged after 4 iterations. iteration 534: trace = 2.485866219383023 (2.2837e-07% change) large trace change predicted (8.98148e-07%) linmin: converged after 5 iterations. iteration 535: trace = 2.485866197055422 (8.98182e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.485866174206045 (9.19172e-07% change) linmin: converged after 4 iterations. iteration 537: trace = 2.485866165051766 (3.68253e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866146926398 (7.29137e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.485866128585155 (7.37821e-07% change) linmin: converged after 2 iterations. iteration 540: trace = 2.485866122226289 (2.55801e-07% change) large trace change predicted (5.71085e-07%) linmin: converged after 8 iterations. iteration 541: trace = 2.485866108030621 (5.71055e-07% change) linmin: converged after 18 iterations. iteration 542: trace = 2.485866092245941 (6.34977e-07% change) linmin: converged after 4 iterations. iteration 543: trace = 2.48586607536496 (6.79078e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.485866067343571 (3.2268e-07% change) large trace change predicted (1.28422e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.485866035423817 (1.28405e-06% change) linmin: converged after 8 iterations. iteration 546: trace = 2.485866028410034 (2.82146e-07% change) large trace change predicted (7.52651e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485866009701284 (7.52605e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.485865979770214 (1.20405e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.485865972807352 (2.80098e-07% change) large trace change predicted (9.17409e-07%) linmin: converged after 9 iterations. iteration 550: trace = 2.485865950002962 (9.17362e-07% change) linmin: converged after 13 iterations. iteration 551: trace = 2.485865934630411 (6.18398e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.485865925309786 (3.74945e-07% change) linmin: converged after 3 iterations. iteration 553: trace = 2.485865913881186 (4.59743e-07% change) linmin: converged after 7 iterations. iteration 554: trace = 2.485865893445994 (8.22055e-07% change) linmin: converged after 16 iterations. iteration 555: trace = 2.48586588884364 (1.85141e-07% change) large trace change predicted (6.37125e-07%) linmin: converged after 8 iterations. iteration 556: trace = 2.485865873004923 (6.37151e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.485865861804665 (4.50558e-07% change) linmin: converged after 13 iterations. iteration 558: trace = 2.485865858472451 (1.34046e-07% change) large trace change predicted (3.23355e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.485865850434236 (3.23357e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.485865844733147 (2.2934e-07% change) linmin: converged after 2 iterations. iteration 561: trace = 2.485865842155373 (1.03697e-07% change) large trace change predicted (4.06423e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.485865832052445 (4.06415e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.485865820573998 (4.61748e-07% change) linmin: converged after 10 iterations. iteration 564: trace = 2.485865816588163 (1.6034e-07% change) large trace change predicted (6.88603e-07%) linmin: converged after 3 iterations. iteration 565: trace = 2.485865799471213 (6.88571e-07% change) linmin: converged after 4 iterations. iteration 566: trace = 2.485865790408108 (3.64585e-07% change) linmin: converged after 12 iterations. iteration 567: trace = 2.485865783371182 (2.83077e-07% change) linmin: converged after 6 iterations. iteration 568: trace = 2.485865772529407 (4.36137e-07% change) linmin: converged after 3 iterations. iteration 569: trace = 2.485865761566611 (4.41005e-07% change) linmin: converged after 15 iterations. iteration 570: trace = 2.485865756451572 (2.05765e-07% change) large trace change predicted (8.11517e-07%) linmin: converged after 17 iterations. iteration 571: trace = 2.485865736277328 (8.11558e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865726603568 (3.89151e-07% change) linmin: converged after 17 iterations. iteration 573: trace = 2.485865719003215 (3.05743e-07% change) large trace change predicted (6.89724e-07%) linmin: converged after 6 iterations. iteration 574: trace = 2.485865701856612 (6.89764e-07% change) linmin: converged after 3 iterations. iteration 575: trace = 2.48586569682056 (2.02587e-07% change) large trace change predicted (4.2037e-07%) linmin: converged after 30 iterations. iteration 576: trace = 2.48586568637046 (4.20381e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865676963987 (3.78398e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.485865669449849 (3.02274e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.485865666637312 (1.13141e-07% change) large trace change predicted (4.02875e-07%) linmin: converged after 2 iterations. iteration 580: trace = 2.485865656622382 (4.02875e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.485865649578717 (2.83349e-07% change) linmin: converged after 3 iterations. iteration 582: trace = 2.485865643796943 (2.32586e-07% change) linmin: converged after 4 iterations. iteration 583: trace = 2.485865634275493 (3.83024e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865629936387 (1.74551e-07% change) linmin: converged after 5 iterations. iteration 585: trace = 2.485865621585913 (3.35918e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.485865612131176 (3.8034e-07% change) linmin: converged after 19 iterations. iteration 587: trace = 2.485865607162968 (1.99858e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.485865600321092 (2.75231e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.485865592565611 (3.11983e-07% change) linmin: converged after 4 iterations. iteration 590: trace = 2.485865582337389 (4.11455e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.485865579894424 (9.82742e-08% change) large trace change predicted (4.71046e-07%) linmin: converged after 4 iterations. iteration 592: trace = 2.485865568185215 (4.71031e-07% change) linmin: converged after 4 iterations. iteration 593: trace = 2.485865561376026 (2.73916e-07% change) linmin: converged after 10 iterations. iteration 594: trace = 2.485865557644762 (1.50099e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865551599242 (2.43196e-07% change) linmin: converged after 10 iterations. iteration 596: trace = 2.485865547584703 (1.61495e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865545003239 (1.03846e-07% change) large trace change predicted (2.22066e-07%) linmin: converged after 11 iterations. iteration 598: trace = 2.485865539483061 (2.22063e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.485865537475806 (8.07468e-08% change) linmin: converged after 10 iterations. iteration 600: trace = 2.48586553400883 (1.39468e-07% change) large trace change predicted (3.1433e-07%) linmin: converged after 29 iterations. iteration 601: trace = 2.485865526195186 (3.14323e-07% change) linmin: converged after 6 iterations. iteration 602: trace = 2.485865524444503 (7.04255e-08% change) large trace change predicted (3.51691e-07%) linmin: converged after 29 iterations. iteration 603: trace = 2.4858655157022 (3.5168e-07% change) linmin: converged after 3 iterations. iteration 604: trace = 2.485865512036334 (1.47468e-07% change) linmin: converged after 3 iterations. iteration 605: trace = 2.485865509036929 (1.20658e-07% change) large trace change predicted (2.49265e-07%) linmin: converged after 4 iterations. iteration 606: trace = 2.485865502840596 (2.49263e-07% change) linmin: converged after 4 iterations. iteration 607: trace = 2.485865496739603 (2.45427e-07% change) linmin: converged after 3 iterations. iteration 608: trace = 2.485865493544551 (1.28529e-07% change) large trace change predicted (3.03295e-07%) linmin: converged after 2 iterations. iteration 609: trace = 2.485865486005023 (3.03296e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.485865478281951 (3.10679e-07% change) linmin: converged after 9 iterations. iteration 611: trace = 2.485865475093133 (1.28278e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.485865470269514 (1.94042e-07% change) linmin: converged after 3 iterations. iteration 613: trace = 2.485865464656645 (2.25791e-07% change) linmin: converged after 6 iterations. iteration 614: trace = 2.485865463457966 (4.82198e-08% change) large trace change predicted (1.26418e-07%) linmin: converged after 3 iterations. iteration 615: trace = 2.485865460315384 (1.26418e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865457854387 (9.89996e-08% change) linmin: converged after 10 iterations. iteration 617: trace = 2.485865457051189 (3.23106e-08% change) large trace change predicted (8.13637e-08%) linmin: converged after 6 iterations. iteration 618: trace = 2.485865455028589 (8.1364e-08% change) large trace change predicted (1.66334e-07%) linmin: converged after 6 iterations. iteration 619: trace = 2.48586545089363 (1.66339e-07% change) linmin: converged after 7 iterations. iteration 620: trace = 2.485865449391608 (6.04225e-08% change) large trace change predicted (1.2434e-07%) linmin: converged after 3 iterations. iteration 621: trace = 2.485865446300608 (1.24343e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.485865443530234 (1.11445e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865442437396 (4.3962e-08% change) large trace change predicted (1.5659e-07%) linmin: converged after 9 iterations. iteration 624: trace = 2.485865438544738 (1.56592e-07% change) linmin: converged after 5 iterations. iteration 625: trace = 2.485865434233767 (1.73419e-07% change) linmin: converged after 3 iterations. iteration 626: trace = 2.485865432921712 (5.27806e-08% change) large trace change predicted (1.31241e-07%) linmin: converged after 4 iterations. iteration 627: trace = 2.485865429659247 (1.31241e-07% change) linmin: converged after 10 iterations. iteration 628: trace = 2.485865424074237 (2.24671e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.4858654189613 (2.0568e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 630: trace = 2.485865414673208 (1.72499e-07% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865410031079 (1.86741e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.485865407406708 (1.05572e-07% change) linmin: converged after 2 iterations. iteration 633: trace = 2.485865406361928 (4.20288e-08% change) large trace change predicted (1.56999e-07%) linmin: converged after 10 iterations. iteration 634: trace = 2.48586540245919 (1.56997e-07% change) linmin: converged after 6 iterations. iteration 635: trace = 2.48586540108244 (5.53831e-08% change) linmin: converged after 4 iterations. iteration 636: trace = 2.485865398698173 (9.5913e-08% change) linmin: converged after 10 iterations. iteration 637: trace = 2.485865396559737 (8.60238e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865395319194 (4.99039e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.485865393100004 (8.92723e-08% change) linmin: converged after 6 iterations. iteration 640: trace = 2.485865391050644 (8.24405e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865390159427 (3.58514e-08% change) large trace change predicted (7.74287e-08%) linmin: converged after 8 iterations. iteration 642: trace = 2.485865388234679 (7.74277e-08% change) linmin: converged after 4 iterations. iteration 643: trace = 2.485865386666726 (6.30747e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865385934395 (2.94598e-08% change) large trace change predicted (8.40095e-08%) linmin: converged after 13 iterations. iteration 645: trace = 2.485865383846058 (8.40084e-08% change) linmin: converged after 10 iterations. iteration 646: trace = 2.485865380374393 (1.39656e-07% change) linmin: converged after 3 iterations. iteration 647: trace = 2.48586537917629 (4.81966e-08% change) large trace change predicted (1.63278e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.48586537511743 (1.63278e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865371056728 (1.63352e-07% change) linmin: converged after 5 iterations. iteration 650: trace = 2.485865369229074 (7.35218e-08% change) large trace change predicted (1.70757e-07%) linmin: converged after 4 iterations. iteration 651: trace = 2.485865364984301 (1.70756e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.48586536070935 (1.7197e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.485865359806858 (3.63049e-08% change) large trace change predicted (9.38812e-08%) linmin: converged after 3 iterations. iteration 654: trace = 2.485865357473095 (9.38813e-08% change) linmin: converged after 7 iterations. iteration 655: trace = 2.485865354642338 (1.13874e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865353927379 (2.8761e-08% change) large trace change predicted (1.40748e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.485865350428529 (1.4075e-07% change) linmin: converged after 12 iterations. iteration 658: trace = 2.485865347466102 (1.19171e-07% change) linmin: converged after 16 iterations. iteration 659: trace = 2.485865346417917 (4.21658e-08% change) large trace change predicted (9.11613e-08%) linmin: converged after 4 iterations. iteration 660: trace = 2.485865344151758 (9.11618e-08% change) linmin: converged after 2 iterations. iteration 661: trace = 2.485865342060137 (8.41406e-08% change) linmin: converged after 9 iterations. iteration 662: trace = 2.485865341421666 (2.56841e-08% change) large trace change predicted (8.67118e-08%) linmin: converged after 4 iterations. iteration 663: trace = 2.485865339266117 (8.67122e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865336522592 (1.10365e-07% change) linmin: converged after 3 iterations. iteration 665: trace = 2.485865335180294 (5.39972e-08% change) linmin: converged after 5 iterations. iteration 666: trace = 2.485865332796258 (9.59037e-08% change) linmin: converged after 13 iterations. iteration 667: trace = 2.485865329674657 (1.25574e-07% change) linmin: converged after 6 iterations. iteration 668: trace = 2.485865328824774 (3.41886e-08% change) large trace change predicted (1.80662e-07%) linmin: converged after 4 iterations. iteration 669: trace = 2.485865324333723 (1.80663e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.485865321742925 (1.04221e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865320592151 (4.62927e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.48586531844413 (8.64094e-08% change) linmin: converged after 4 iterations. iteration 673: trace = 2.48586531527262 (1.27582e-07% change) linmin: converged after 18 iterations. iteration 674: trace = 2.485865314729993 (2.18285e-08% change) large trace change predicted (1.36886e-07%) linmin: converged after 5 iterations. iteration 675: trace = 2.485865311327138 (1.36888e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.485865309542765 (7.17808e-08% change) linmin: converged after 19 iterations. iteration 677: trace = 2.485865308831797 (2.86004e-08% change) large trace change predicted (1.20553e-07%) linmin: converged after 5 iterations. iteration 678: trace = 2.485865305835011 (1.20553e-07% change) linmin: converged after 8 iterations. iteration 679: trace = 2.485865303591792 (9.0239e-08% change) linmin: converged after 6 iterations. iteration 680: trace = 2.485865302919009 (2.70643e-08% change) large trace change predicted (6.50814e-08%) linmin: converged after 11 iterations. iteration 681: trace = 2.485865301301208 (6.508e-08% change) linmin: converged after 7 iterations. iteration 682: trace = 2.485865299454421 (7.42915e-08% change) linmin: converged after 5 iterations. iteration 683: trace = 2.485865298778789 (2.71789e-08% change) large trace change predicted (9.57574e-08%) linmin: converged after 7 iterations. iteration 684: trace = 2.485865296398433 (9.57556e-08% change) linmin: converged after 4 iterations. iteration 685: trace = 2.485865294618838 (7.15885e-08% change) linmin: converged after 6 iterations. iteration 686: trace = 2.485865292437984 (8.77302e-08% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865289262637 (1.27736e-07% change) linmin: converged after 22 iterations. iteration 688: trace = 2.485865287396805 (7.50576e-08% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865285632241 (7.09839e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865283336916 (9.23351e-08% change) linmin: converged after 4 iterations. iteration 691: trace = 2.485865281778118 (6.27064e-08% change) linmin: converged after 4 iterations. iteration 692: trace = 2.485865280724808 (4.2372e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.485865279314348 (5.67392e-08% change) linmin: converged after 24 iterations. iteration 694: trace = 2.485865277591477 (6.93067e-08% change) linmin: converged after 4 iterations. iteration 695: trace = 2.485865276676544 (3.68054e-08% change) large trace change predicted (8.90046e-08%) linmin: converged after 3 iterations. iteration 696: trace = 2.485865274463961 (8.90065e-08% change) linmin: converged after 4 iterations. iteration 697: trace = 2.485865273159759 (5.24647e-08% change) linmin: converged after 13 iterations. iteration 698: trace = 2.485865272743319 (1.67523e-08% change) linmin: converged after 5 iterations. iteration 699: trace = 2.485865272023116 (2.89719e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865271415558 (2.44405e-08% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865271117603 (1.1986e-08% change) large trace change predicted (5.14264e-08%) linmin: converged after 4 iterations. iteration 702: trace = 2.485865269839217 (5.14262e-08% change) linmin: converged after 39 iterations. iteration 703: trace = 2.485865268744354 (4.40435e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.485865267852897 (3.5861e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.485865266289203 (6.29034e-08% change) linmin: converged after 31 iterations. iteration 706: trace = 2.485865265494137 (3.19835e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865264658684 (3.36082e-08% change) large trace change predicted (7.3697e-08%) linmin: converged after 4 iterations. iteration 708: trace = 2.485865262826664 (7.36975e-08% change) linmin: converged after 11 iterations. iteration 709: trace = 2.485865262458677 (1.48032e-08% change) large trace change predicted (6.33553e-08%) linmin: converged after 4 iterations. iteration 710: trace = 2.485865260883734 (6.33559e-08% change) linmin: converged after 5 iterations. iteration 711: trace = 2.48586525897413 (7.68185e-08% change) linmin: converged after 4 iterations. iteration 712: trace = 2.48586525712356 (7.44437e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865256513271 (2.45504e-08% change) large trace change predicted (7.99782e-08%) linmin: converged after 12 iterations. iteration 714: trace = 2.485865254525071 (7.99802e-08% change) linmin: converged after 24 iterations. iteration 715: trace = 2.485865253806515 (2.89057e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.485865252938782 (3.49067e-08% change) linmin: converged after 3 iterations. iteration 717: trace = 2.485865251860567 (4.33738e-08% change) linmin: converged after 2 iterations. iteration 718: trace = 2.485865251188401 (2.70395e-08% change) linmin: converged after 5 iterations. iteration 719: trace = 2.485865250555583 (2.54566e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865249319797 (4.97125e-08% change) linmin: converged after 26 iterations. iteration 721: trace = 2.48586524848038 (3.37676e-08% change) linmin: converged after 3 iterations. iteration 722: trace = 2.485865248003488 (1.91842e-08% change) large trace change predicted (4.66138e-08%) linmin: converged after 24 iterations. iteration 723: trace = 2.485865246844736 (4.66136e-08% change) linmin: converged after 4 iterations. iteration 724: trace = 2.48586524597349 (3.5048e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865245063576 (3.66035e-08% change) linmin: converged after 3 iterations. iteration 726: trace = 2.485865244054649 (4.05865e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.485865243725575 (1.32378e-08% change) large trace change predicted (3.13246e-08%) linmin: converged after 6 iterations. iteration 728: trace = 2.485865242946899 (3.13242e-08% change) linmin: converged after 10 iterations. iteration 729: trace = 2.485865241719817 (4.93623e-08% change) linmin: converged after 6 iterations. iteration 730: trace = 2.485865240670502 (4.22113e-08% change) linmin: converged after 3 iterations. iteration 731: trace = 2.485865240223687 (1.79742e-08% change) large trace change predicted (3.89778e-08%) linmin: converged after 5 iterations. iteration 732: trace = 2.485865239254756 (3.89776e-08% change) linmin: converged after 5 iterations. iteration 733: trace = 2.485865238307129 (3.81206e-08% change) linmin: converged after 4 iterations. iteration 734: trace = 2.485865237943885 (1.46124e-08% change) large trace change predicted (3.65838e-08%) linmin: converged after 26 iterations. iteration 735: trace = 2.485865237034468 (3.65835e-08% change) linmin: converged after 24 iterations. iteration 736: trace = 2.485865236627105 (1.63872e-08% change) linmin: converged after 16 iterations. iteration 737: trace = 2.485865236250152 (1.51639e-08% change) linmin: converged after 4 iterations. iteration 738: trace = 2.485865235607335 (2.58589e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865235096384 (2.05543e-08% change) linmin: converged after 6 iterations. iteration 740: trace = 2.485865234862481 (9.40931e-09% change) large trace change predicted (3.93846e-08%) linmin: converged after 4 iterations. iteration 741: trace = 2.485865233883437 (3.93845e-08% change) linmin: converged after 4 iterations. iteration 742: trace = 2.485865233228887 (2.63308e-08% change) linmin: converged after 8 iterations. iteration 743: trace = 2.485865232804265 (1.70815e-08% change) linmin: converged after 6 iterations. iteration 744: trace = 2.485865232250929 (2.22593e-08% change) linmin: converged after 3 iterations. iteration 745: trace = 2.485865231732347 (2.08612e-08% change) linmin: converged after 4 iterations. iteration 746: trace = 2.485865231288686 (1.78473e-08% change) large trace change predicted (3.58944e-08%) linmin: converged after 9 iterations. iteration 747: trace = 2.485865230396402 (3.58943e-08% change) linmin: converged after 4 iterations. iteration 748: trace = 2.485865229966914 (1.72772e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.485865229389344 (2.32342e-08% change) linmin: converged after 34 iterations. iteration 750: trace = 2.485865228489613 (3.61939e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.485865228039602 (1.81028e-08% change) linmin: converged after 3 iterations. iteration 752: trace = 2.485865227351344 (2.76869e-08% change) linmin: converged after 10 iterations. iteration 753: trace = 2.485865226803621 (2.20335e-08% change) linmin: converged after 20 iterations. iteration 754: trace = 2.485865226590944 (8.55543e-09% change) linmin: converged after 5 iterations. iteration 755: trace = 2.485865226384067 (8.32212e-09% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226057106 (1.31528e-08% change) linmin: converged after 6 iterations. iteration 757: trace = 2.485865225762772 (1.18403e-08% change) linmin: converged after 4 iterations. iteration 758: trace = 2.485865225642683 (4.83087e-09% change) large trace change predicted (1.46655e-08%) linmin: converged after 4 iterations. iteration 759: trace = 2.485865225278115 (1.46657e-08% change) linmin: converged after 12 iterations. iteration 760: trace = 2.485865224985111 (1.17868e-08% change) linmin: converged after 26 iterations. iteration 761: trace = 2.485865224863446 (4.89425e-09% change) large trace change predicted (1.99094e-08%) linmin: converged after 4 iterations. iteration 762: trace = 2.48586522436852 (1.99096e-08% change) linmin: converged after 2 iterations. iteration 763: trace = 2.485865223949761 (1.68456e-08% change) linmin: converged after 7 iterations. iteration 764: trace = 2.485865223741473 (8.37888e-09% change) large trace change predicted (2.27835e-08%) linmin: converged after 2 iterations. iteration 765: trace = 2.485865223175105 (2.27835e-08% change) linmin: converged after 3 iterations. iteration 766: trace = 2.48586522293947 (9.479e-09% change) linmin: converged after 3 iterations. iteration 767: trace = 2.485865222696591 (9.77039e-09% change) large trace change predicted (2.52911e-08%) linmin: converged after 27 iterations. iteration 768: trace = 2.485865222067885 (2.52912e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.485865221437768 (2.5348e-08% change) resetting CG direction... linmin: converged after 22 iterations. iteration 770: trace = 2.485865220865312 (2.30284e-08% change) linmin: converged after 12 iterations. iteration 771: trace = 2.485865220310167 (2.23321e-08% change) linmin: converged after 5 iterations. iteration 772: trace = 2.485865220107325 (8.1598e-09% change) linmin: converged after 3 iterations. iteration 773: trace = 2.485865219903554 (8.1972e-09% change) large trace change predicted (1.74089e-08%) linmin: converged after 4 iterations. iteration 774: trace = 2.485865219470791 (1.74089e-08% change) linmin: converged after 3 iterations. iteration 775: trace = 2.485865219288953 (7.3149e-09% change) linmin: converged after 4 iterations. iteration 776: trace = 2.485865219062259 (9.11933e-09% change) linmin: converged after 7 iterations. iteration 777: trace = 2.485865218810099 (1.01437e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.485865218608225 (8.12088e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865218348002 (1.04681e-08% change) linmin: converged after 8 iterations. iteration 780: trace = 2.485865218041855 (1.23155e-08% change) linmin: converged after 20 iterations. iteration 781: trace = 2.485865217959228 (3.32385e-09% change) large trace change predicted (9.75258e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.485865217716791 (9.75265e-09% change) linmin: converged after 7 iterations. iteration 783: trace = 2.4858652175314 (7.4578e-09% change) linmin: converged after 20 iterations. iteration 784: trace = 2.485865217452788 (3.16237e-09% change) large trace change predicted (1.04855e-08%) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217192133 (1.04855e-08% change) linmin: converged after 19 iterations. iteration 786: trace = 2.485865216834291 (1.4395e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.485865216734612 (4.00986e-09% change) large trace change predicted (2.1219e-08%) linmin: converged after 4 iterations. iteration 788: trace = 2.485865216207141 (2.12188e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.485865215795744 (1.65494e-08% change) linmin: converged after 2 iterations. iteration 790: trace = 2.485865215593066 (8.15323e-09% change) large trace change predicted (2.28273e-08%) linmin: converged after 31 iterations. iteration 791: trace = 2.485865215025612 (2.28272e-08% change) linmin: converged after 4 iterations. iteration 792: trace = 2.485865214614533 (1.65366e-08% change) linmin: converged after 5 iterations. iteration 793: trace = 2.485865214494209 (4.84032e-09% change) large trace change predicted (1.01532e-08%) linmin: converged after 13 iterations. iteration 794: trace = 2.485865214241815 (1.01532e-08% change) linmin: converged after 6 iterations. iteration 795: trace = 2.485865213852176 (1.56742e-08% change) linmin: converged after 18 iterations. iteration 796: trace = 2.485865213720877 (5.28184e-09% change) large trace change predicted (1.39191e-08%) linmin: converged after 7 iterations. iteration 797: trace = 2.485865213374864 (1.39192e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.485865212945815 (1.72595e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.48586521266099 (1.14578e-08% change) linmin: converged after 13 iterations. iteration 800: trace = 2.485865212567412 (3.7644e-09% change) large trace change predicted (1.12588e-08%) linmin: converged after 4 iterations. iteration 801: trace = 2.485865212287532 (1.12588e-08% change) linmin: converged after 18 iterations. iteration 802: trace = 2.485865212026706 (1.04924e-08% change) linmin: converged after 5 iterations. iteration 803: trace = 2.485865211904198 (4.92819e-09% change) linmin: converged after 2 iterations. iteration 804: trace = 2.485865211667466 (9.52312e-09% change) linmin: converged after 4 iterations. iteration 805: trace = 2.485865211201899 (1.87286e-08% change) linmin: converged after 16 iterations. iteration 806: trace = 2.485865211081857 (4.82897e-09% change) large trace change predicted (1.51917e-08%) linmin: converged after 9 iterations. iteration 807: trace = 2.485865210704213 (1.51917e-08% change) linmin: converged after 12 iterations. iteration 808: trace = 2.485865210293881 (1.65066e-08% change) linmin: converged after 4 iterations. iteration 809: trace = 2.485865210138886 (6.23504e-09% change) large trace change predicted (1.39669e-08%) linmin: converged after 2 iterations. iteration 810: trace = 2.485865209791687 (1.39669e-08% change) linmin: converged after 22 iterations. iteration 811: trace = 2.485865209588846 (8.15979e-09% change) linmin: converged after 4 iterations. iteration 812: trace = 2.48586520947013 (4.77565e-09% change) large trace change predicted (1.35224e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.485865209133982 (1.35224e-08% change) linmin: converged after 38 iterations. iteration 814: trace = 2.485865208976297 (6.34326e-09% change) linmin: converged after 24 iterations. iteration 815: trace = 2.485865208786199 (7.64718e-09% change) linmin: converged after 3 iterations. iteration 816: trace = 2.485865208499631 (1.15279e-08% change) linmin: converged after 3 iterations. iteration 817: trace = 2.485865208337084 (6.53884e-09% change) linmin: converged after 8 iterations. iteration 818: trace = 2.48586520806555 (1.09231e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.485865207759708 (1.23032e-08% change) linmin: converged after 18 iterations. iteration 820: trace = 2.485865207673526 (3.46689e-09% change) large trace change predicted (9.07615e-09%) linmin: converged after 12 iterations. iteration 821: trace = 2.485865207447906 (9.07611e-09% change) linmin: converged after 16 iterations. iteration 822: trace = 2.485865207210614 (9.54565e-09% change) linmin: converged after 17 iterations. iteration 823: trace = 2.485865207067391 (5.76149e-09% change) linmin: converged after 7 iterations. iteration 824: trace = 2.485865206864954 (8.14355e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.48586520646312 (1.61647e-08% change) linmin: converged after 23 iterations. iteration 826: trace = 2.485865206110911 (1.41685e-08% change) linmin: converged after 17 iterations. iteration 827: trace = 2.485865205972392 (5.57226e-09% change) large trace change predicted (1.2491e-08%) linmin: converged after 4 iterations. iteration 828: trace = 2.485865205661884 (1.2491e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.485865205349487 (1.25669e-08% change) linmin: converged after 4 iterations. iteration 830: trace = 2.48586520529418 (2.22485e-09% change) large trace change predicted (1.08175e-08%) linmin: converged after 4 iterations. iteration 831: trace = 2.485865205025275 (1.08174e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.485865204878929 (5.88715e-09% change) linmin: converged after 21 iterations. iteration 833: trace = 2.485865204765346 (4.56913e-09% change) linmin: converged after 6 iterations. iteration 834: trace = 2.485865204589559 (7.07148e-09% change) linmin: converged after 5 iterations. iteration 835: trace = 2.485865204344899 (9.84206e-09% change) linmin: converged after 4 iterations. iteration 836: trace = 2.485865204291943 (2.13026e-09% change) large trace change predicted (6.47316e-09%) linmin: converged after 3 iterations. iteration 837: trace = 2.485865204131031 (6.4731e-09% change) linmin: converged after 17 iterations. iteration 838: trace = 2.485865204034483 (3.88387e-09% change) linmin: converged after 15 iterations. iteration 839: trace = 2.485865203980557 (2.16931e-09% change) resetting CG direction... linmin: converged after 15 iterations. iteration 840: trace = 2.485865203928408 (2.09782e-09% change) linmin: converged after 19 iterations. iteration 841: trace = 2.48586520383685 (3.68316e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.485865203699446 (5.52739e-09% change) linmin: converged after 22 iterations. iteration 843: trace = 2.485865203646733 (2.12051e-09% change) large trace change predicted (8.22698e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865203442224 (8.2269e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865203352047 (3.62758e-09% change) linmin: converged after 27 iterations. iteration 846: trace = 2.485865203230271 (4.89872e-09% change) linmin: converged after 6 iterations. iteration 847: trace = 2.485865203104849 (5.04542e-09% change) linmin: converged after 14 iterations. iteration 848: trace = 2.485865203052855 (2.09158e-09% change) large trace change predicted (7.5325e-09%) linmin: converged after 5 iterations. iteration 849: trace = 2.48586520286561 (7.5324e-09% change) linmin: converged after 2 iterations. iteration 850: trace = 2.485865202654902 (8.47622e-09% change) linmin: converged after 23 iterations. iteration 851: trace = 2.485865202588483 (2.67186e-09% change) large trace change predicted (9.92203e-09%) linmin: converged after 4 iterations. iteration 852: trace = 2.485865202341836 (9.922e-09% change) linmin: converged after 19 iterations. iteration 853: trace = 2.48586520214702 (7.83692e-09% change) linmin: converged after 19 iterations. iteration 854: trace = 2.485865202073664 (2.95096e-09% change) large trace change predicted (9.42943e-09%) linmin: converged after 6 iterations. iteration 855: trace = 2.485865201839256 (9.4296e-09% change) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201700119 (5.59713e-09% change) linmin: converged after 2 iterations. iteration 857: trace = 2.485865201646803 (2.14477e-09% change) large trace change predicted (5.53964e-09%) linmin: converged after 4 iterations. iteration 858: trace = 2.485865201509094 (5.53968e-09% change) linmin: converged after 22 iterations. iteration 859: trace = 2.485865201369287 (5.62409e-09% change) linmin: converged after 18 iterations. iteration 860: trace = 2.485865201238217 (5.2726e-09% change) linmin: converged after 8 iterations. iteration 861: trace = 2.485865201183991 (2.18137e-09% change) large trace change predicted (7.48986e-09%) linmin: converged after 21 iterations. iteration 862: trace = 2.485865200997803 (7.48987e-09% change) linmin: converged after 27 iterations. iteration 863: trace = 2.485865200916401 (3.27461e-09% change) linmin: converged after 13 iterations. iteration 864: trace = 2.485865200850357 (2.65678e-09% change) linmin: converged after 36 iterations. iteration 865: trace = 2.485865200719296 (5.27225e-09% change) linmin: converged after 6 iterations. iteration 866: trace = 2.485865200655839 (2.55272e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200571492 (3.39304e-09% change) linmin: converged after 4 iterations. iteration 868: trace = 2.485865200458637 (4.53987e-09% change) linmin: converged after 3 iterations. iteration 869: trace = 2.485865200338493 (4.8331e-09% change) linmin: converged after 9 iterations. iteration 870: trace = 2.485865200280188 (2.34548e-09% change) large trace change predicted (5.40977e-09%) linmin: converged after 12 iterations. iteration 871: trace = 2.485865200145709 (5.40973e-09% change) linmin: converged after 13 iterations. iteration 872: trace = 2.485865200015914 (5.22133e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199974659 (1.65957e-09% change) large trace change predicted (4.14224e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199871688 (4.14226e-09% change) linmin: converged after 16 iterations. iteration 875: trace = 2.485865199781076 (3.64509e-09% change) linmin: converged after 2 iterations. iteration 876: trace = 2.485865199752428 (1.15243e-09% change) large trace change predicted (3.26878e-09%) linmin: converged after 2 iterations. iteration 877: trace = 2.485865199671171 (3.26879e-09% change) linmin: converged after 12 iterations. iteration 878: trace = 2.485865199583092 (3.54317e-09% change) linmin: converged after 19 iterations. iteration 879: trace = 2.485865199559318 (9.5638e-10% change) large trace change predicted (3.28816e-09%) linmin: converged after 15 iterations. iteration 880: trace = 2.485865199477579 (3.28814e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199386177 (3.67687e-09% change) linmin: converged after 2 iterations. iteration 882: trace = 2.485865199345654 (1.63014e-09% change) large trace change predicted (4.75452e-09%) linmin: converged after 6 iterations. iteration 883: trace = 2.485865199227466 (4.75442e-09% change) linmin: converged after 13 iterations. iteration 884: trace = 2.485865199191147 (1.461e-09% change) linmin: converged after 5 iterations. iteration 885: trace = 2.485865199140393 (2.04169e-09% change) linmin: converged after 3 iterations. iteration 886: trace = 2.485865199062937 (3.11587e-09% change) linmin: converged after 24 iterations. iteration 887: trace = 2.485865198999102 (2.56793e-09% change) linmin: converged after 3 iterations. iteration 888: trace = 2.485865198939075 (2.41472e-09% change) large trace change predicted (4.94698e-09%) linmin: converged after 16 iterations. iteration 889: trace = 2.4858651988161 (4.94699e-09% change) linmin: converged after 3 iterations. iteration 890: trace = 2.485865198734328 (3.28948e-09% change) linmin: converged after 7 iterations. iteration 891: trace = 2.485865198693158 (1.65615e-09% change) large trace change predicted (3.65933e-09%) linmin: converged after 4 iterations. iteration 892: trace = 2.485865198602191 (3.65938e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.48586519854553 (2.27934e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198526149 (7.79646e-10% change) large trace change predicted (1.63767e-09%) linmin: converged after 4 iterations. iteration 895: trace = 2.485865198485438 (1.6377e-09% change) linmin: converged after 6 iterations. iteration 896: trace = 2.485865198446647 (1.56047e-09% change) linmin: converged after 5 iterations. iteration 897: trace = 2.485865198404874 (1.6804e-09% change) linmin: converged after 15 iterations. iteration 898: trace = 2.485865198381024 (9.59435e-10% change) linmin: converged after 21 iterations. iteration 899: trace = 2.485865198340132 (1.64499e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198291408 (1.96005e-09% change) linmin: converged after 9 iterations. iteration 901: trace = 2.485865198268051 (9.39569e-10% change) linmin: converged after 24 iterations. iteration 902: trace = 2.485865198230728 (1.50143e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865198181385 (1.98493e-09% change) linmin: converged after 6 iterations. iteration 904: trace = 2.485865198160242 (8.50514e-10% change) large trace change predicted (2.59649e-09%) linmin: converged after 8 iterations. iteration 905: trace = 2.485865198095696 (2.59654e-09% change) linmin: converged after 2 iterations. iteration 906: trace = 2.485865198069126 (1.06884e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865198038041 (1.25047e-09% change) large trace change predicted (3.02402e-09%) linmin: converged after 5 iterations. iteration 908: trace = 2.485865197962871 (3.02392e-09% change) linmin: converged after 12 iterations. iteration 909: trace = 2.485865197867926 (3.81937e-09% change) resetting CG direction... linmin: converged after 27 iterations. iteration 910: trace = 2.485865197779493 (3.55744e-09% change) linmin: converged after 3 iterations. iteration 911: trace = 2.485865197714815 (2.60183e-09% change) linmin: converged after 4 iterations. iteration 912: trace = 2.485865197690492 (9.78443e-10% change) linmin: converged after 9 iterations. iteration 913: trace = 2.485865197667755 (9.14666e-10% change) large trace change predicted (2.03791e-09%) linmin: converged after 19 iterations. iteration 914: trace = 2.485865197617092 (2.03803e-09% change) linmin: converged after 18 iterations. iteration 915: trace = 2.485865197603817 (5.34008e-10% change) large trace change predicted (1.636e-09%) linmin: converged after 3 iterations. iteration 916: trace = 2.485865197563149 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 917: trace = 2.485865197534232 (1.16329e-09% change) linmin: converged after 9 iterations. iteration 918: trace = 2.485865197517445 (6.75281e-10% change) large trace change predicted (1.50937e-09%) linmin: converged after 4 iterations. iteration 919: trace = 2.485865197479924 (1.50936e-09% change) linmin: converged after 3 iterations. iteration 920: trace = 2.485865197449738 (1.21433e-09% change) linmin: converged after 18 iterations. iteration 921: trace = 2.485865197431222 (7.44846e-10% change) linmin: converged after 3 iterations. iteration 922: trace = 2.485865197398013 (1.33593e-09% change) linmin: converged after 15 iterations. iteration 923: trace = 2.485865197383809 (5.71363e-10% change) linmin: converged after 12 iterations. iteration 924: trace = 2.485865197363209 (8.28684e-10% change) linmin: converged after 6 iterations. iteration 925: trace = 2.485865197330011 (1.33547e-09% change) linmin: converged after 4 iterations. iteration 926: trace = 2.485865197285912 (1.77399e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.485865197268385 (7.05097e-10% change) large trace change predicted (2.3754e-09%) linmin: converged after 3 iterations. iteration 928: trace = 2.485865197209335 (2.37543e-09% change) linmin: converged after 18 iterations. iteration 929: trace = 2.485865197152 (2.30642e-09% change) linmin: converged after 15 iterations. iteration 930: trace = 2.485865197128124 (9.60489e-10% change) large trace change predicted (2.02515e-09%) linmin: converged after 13 iterations. iteration 931: trace = 2.485865197077779 (2.02522e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197025277 (2.11204e-09% change) linmin: converged after 3 iterations. iteration 933: trace = 2.485865197014812 (4.20979e-10% change) large trace change predicted (1.51339e-09%) linmin: converged after 15 iterations. iteration 934: trace = 2.485865196977192 (1.51336e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196943954 (1.33709e-09% change) linmin: converged after 4 iterations. iteration 936: trace = 2.485865196894677 (1.98227e-09% change) linmin: converged after 20 iterations. iteration 937: trace = 2.48586519688186 (5.15607e-10% change) large trace change predicted (2.08236e-09%) linmin: converged after 6 iterations. iteration 938: trace = 2.485865196830097 (2.08228e-09% change) linmin: converged after 19 iterations. iteration 939: trace = 2.485865196800589 (1.18705e-09% change) linmin: converged after 2 iterations. iteration 940: trace = 2.485865196785388 (6.11504e-10% change) large trace change predicted (1.64881e-09%) linmin: converged after 11 iterations. iteration 941: trace = 2.485865196744399 (1.64885e-09% change) linmin: converged after 9 iterations. iteration 942: trace = 2.485865196717632 (1.07679e-09% change) linmin: converged after 5 iterations. iteration 943: trace = 2.485865196692838 (9.97397e-10% change) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196652658 (1.61633e-09% change) linmin: converged after 15 iterations. iteration 945: trace = 2.485865196606591 (1.85318e-09% change) linmin: converged after 18 iterations. iteration 946: trace = 2.485865196590932 (6.29887e-10% change) large trace change predicted (1.85795e-09%) linmin: converged after 15 iterations. iteration 947: trace = 2.485865196544747 (1.85792e-09% change) linmin: converged after 10 iterations. iteration 948: trace = 2.485865196504116 (1.6345e-09% change) linmin: converged after 15 iterations. iteration 949: trace = 2.485865196479669 (9.83409e-10% change) linmin: converged after 14 iterations. iteration 950: trace = 2.4858651964373 (1.70441e-09% change) linmin: converged after 6 iterations. iteration 951: trace = 2.485865196421519 (6.34853e-10% change) linmin: converged after 6 iterations. iteration 952: trace = 2.485865196401864 (7.90668e-10% change) linmin: converged after 21 iterations. iteration 953: trace = 2.485865196364467 (1.50438e-09% change) linmin: converged after 4 iterations. iteration 954: trace = 2.485865196329271 (1.41584e-09% change) linmin: converged after 18 iterations. iteration 955: trace = 2.485865196314101 (6.10236e-10% change) linmin: converged after 21 iterations. iteration 956: trace = 2.485865196290834 (9.35996e-10% change) linmin: converged after 16 iterations. iteration 957: trace = 2.485865196244984 (1.84441e-09% change) linmin: converged after 10 iterations. iteration 958: trace = 2.4858651962366 (3.37265e-10% change) large trace change predicted (1.55062e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196198053 (1.55066e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.485865196165143 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 961: trace = 2.485865196154426 (4.31108e-10% change) large trace change predicted (1.15665e-09%) linmin: converged after 21 iterations. iteration 962: trace = 2.485865196125674 (1.15662e-09% change) linmin: converged after 8 iterations. iteration 963: trace = 2.485865196089094 (1.47154e-09% change) linmin: converged after 10 iterations. iteration 964: trace = 2.485865196076043 (5.25004e-10% change) large trace change predicted (1.88293e-09%) linmin: converged after 7 iterations. iteration 965: trace = 2.485865196029238 (1.88285e-09% change) linmin: converged after 21 iterations. iteration 966: trace = 2.485865195985069 (1.77677e-09% change) linmin: converged after 7 iterations. iteration 967: trace = 2.485865195949636 (1.42541e-09% change) linmin: converged after 10 iterations. iteration 968: trace = 2.485865195932265 (6.98791e-10% change) large trace change predicted (1.48707e-09%) linmin: converged after 18 iterations. iteration 969: trace = 2.4858651958953 (1.48699e-09% change) linmin: converged after 6 iterations. iteration 970: trace = 2.485865195875271 (8.0571e-10% change) linmin: converged after 5 iterations. iteration 971: trace = 2.485865195858119 (6.89966e-10% change) linmin: converged after 9 iterations. iteration 972: trace = 2.485865195839179 (7.61924e-10% change) linmin: converged after 11 iterations. iteration 973: trace = 2.485865195818592 (8.28148e-10% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195808338 (4.12493e-10% change) large trace change predicted (1.15629e-09%) linmin: converged after 4 iterations. iteration 975: trace = 2.485865195779595 (1.15627e-09% change) linmin: converged after 7 iterations. iteration 976: trace = 2.485865195767748 (4.76591e-10% change) linmin: converged after 10 iterations. iteration 977: trace = 2.485865195754008 (5.52712e-10% change) linmin: converged after 11 iterations. iteration 978: trace = 2.485865195742006 (4.82808e-10% change) linmin: converged after 4 iterations. iteration 979: trace = 2.485865195735699 (2.53731e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195729538 (2.47817e-10% change) linmin: converged after 7 iterations. iteration 981: trace = 2.485865195718167 (4.5744e-10% change) linmin: converged after 10 iterations. iteration 982: trace = 2.485865195706118 (4.84702e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.48586519569485 (4.53278e-10% change) large trace change predicted (9.8525e-10%) linmin: converged after 16 iterations. iteration 984: trace = 2.48586519567036 (9.85178e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195662614 (3.11612e-10% change) large trace change predicted (6.89496e-10%) linmin: converged after 25 iterations. iteration 986: trace = 2.485865195645474 (6.89465e-10% change) linmin: converged after 10 iterations. iteration 987: trace = 2.485865195630695 (5.94533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195623671 (2.82546e-10% change) large trace change predicted (8.36744e-10%) linmin: converged after 12 iterations. iteration 989: trace = 2.485865195602871 (8.36741e-10% change) linmin: converged after 3 iterations. iteration 990: trace = 2.485865195577373 (1.02573e-09% change) linmin: converged after 12 iterations. iteration 991: trace = 2.485865195569374 (3.21795e-10% change) large trace change predicted (1.18579e-09%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195539894 (1.18587e-09% change) linmin: converged after 16 iterations. iteration 993: trace = 2.485865195513663 (1.05524e-09% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195504994 (3.48734e-10% change) large trace change predicted (1.19964e-09%) linmin: converged after 22 iterations. iteration 995: trace = 2.485865195475174 (1.19955e-09% change) linmin: converged after 5 iterations. iteration 996: trace = 2.485865195453173 (8.85047e-10% change) linmin: converged after 6 iterations. iteration 997: trace = 2.485865195444979 (3.29637e-10% change) linmin: converged after 5 iterations. iteration 998: trace = 2.485865195431235 (5.52873e-10% change) linmin: converged after 17 iterations. iteration 999: trace = 2.48586519541321 (7.25087e-10% change) linmin: converged after 6 iterations. iteration 1000: trace = 2.485865195407233 (2.40475e-10% change) large trace change predicted (7.1572e-10%) linmin: converged after 4 iterations. iteration 1001: trace = 2.485865195389439 (7.15798e-10% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.485865195366087 (9.39391e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.48586519535643 (3.88465e-10% change) linmin: converged after 16 iterations. iteration 1004: trace = 2.485865195348283 (3.27743e-10% change) linmin: converged after 16 iterations. iteration 1005: trace = 2.485865195332919 (6.18061e-10% change) linmin: converged after 12 iterations. iteration 1006: trace = 2.485865195325522 (2.97552e-10% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.485865195315592 (3.9947e-10% change) linmin: converged after 18 iterations. iteration 1008: trace = 2.485865195302418 (5.29953e-10% change) linmin: converged after 14 iterations. iteration 1009: trace = 2.48586519528831 (5.67504e-10% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.485865195282737 (2.242e-10% change) large trace change predicted (7.19285e-10%) linmin: converged after 6 iterations. iteration 1011: trace = 2.485865195264858 (7.19228e-10% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.485865195247599 (6.94289e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865195239529 (3.24635e-10% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.485865195229751 (3.93342e-10% change) linmin: converged after 3 iterations. iteration 1015: trace = 2.485865195216892 (5.17304e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865195212109 (1.92401e-10% change) linmin: converged after 6 iterations. iteration 1017: trace = 2.485865195203397 (3.50431e-10% change) linmin: converged after 3 iterations. iteration 1018: trace = 2.48586519519056 (5.16429e-10% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.485865195187408 (1.26767e-10% change) large trace change predicted (3.78648e-10%) linmin: converged after 18 iterations. iteration 1020: trace = 2.485865195177993 (3.78747e-10% change) linmin: converged after 10 iterations. iteration 1021: trace = 2.485865195163123 (5.98177e-10% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.485865195156914 (2.498e-10% change) linmin: converged after 3 iterations. iteration 1023: trace = 2.48586519514668 (4.11671e-10% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.485865195138649 (3.23081e-10% change) linmin: converged after 8 iterations. iteration 1025: trace = 2.485865195132884 (2.31918e-10% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.485865195127163 (2.30131e-10% change) large trace change predicted (4.92127e-10%) linmin: converged after 4 iterations. iteration 1027: trace = 2.48586519511493 (4.92115e-10% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.485865195111738 (1.28393e-10% change) large trace change predicted (5.51697e-10%) linmin: converged after 3 iterations. iteration 1029: trace = 2.48586519509802 (5.51819e-10% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.485865195086531 (4.62192e-10% change) linmin: converged after 12 iterations. iteration 1031: trace = 2.485865195082156 (1.76002e-10% change) large trace change predicted (4.23674e-10%) linmin: converged after 5 iterations. iteration 1032: trace = 2.485865195071622 (4.2373e-10% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.485865195063092 (3.43143e-10% change) linmin: converged after 8 iterations. iteration 1034: trace = 2.485865195058281 (1.93563e-10% change) linmin: converged after 3 iterations. iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 86.12350511550903 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860521618544 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953190274542 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889502713794 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356527115023 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948739451574 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.59637195673933 (0.0222125% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542822108817 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152272227645 (0.0150481% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847304055892 (0.0117521% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454354679778 (0.0151446% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326218334966 (0.00493898% change) large trace change predicted (0.0216464%) linmin: converged after 4 iterations. iteration 12: trace = 2.59377725804431 (0.0211623% change) linmin: converged after 4 iterations. iteration 13: trace = 2.59351194519011 (0.0102293% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177804948497 (0.0128845% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759541877131 (0.0161307% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616450337081 (0.00551904% change) large trace change predicted (0.0234744%) linmin: converged after 6 iterations. iteration 17: trace = 2.592030992157174 (0.0225843% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838798349907 (0.00741507% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510380906076 (0.012672% change) linmin: converged after 24 iterations. iteration 20: trace = 2.591143477406139 (0.0141589% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058370891482 (0.00328457% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787468655928 (0.0104558% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682206926354 (0.00406301% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536715489336 (0.00561611% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316103030832 (0.00851645% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262773503845 (0.00205883% change) large trace change predicted (0.00488929%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136126018992 (0.00488949% change) linmin: converged after 3 iterations. iteration 28: trace = 2.59006415221636 (0.0027788% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589967059741261 (0.00374872% change) linmin: converged after 6 iterations. iteration 30: trace = 2.58984703354588 (0.00463438% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779805109319 (0.00259588% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656245739652 (0.00477115% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592317183004 (0.00246864% change) large trace change predicted (0.0058733%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438799786502 (0.00592842% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299452439772 (0.00538152% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151667919612 (0.00570767% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877424791422 (0.0105926% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758943947076 (0.00457664% change) large trace change predicted (0.0103813%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487298044556 (0.0104938% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238628793924 (0.0096072% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129511987392 (0.00421596% change) large trace change predicted (0.00966115%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877945573201 (0.00972048% change) linmin: converged after 4 iterations. iteration 43: trace = 2.587755245936565 (0.00474143% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559949936852 (0.00754721% change) linmin: converged after 4 iterations. iteration 45: trace = 2.587201554185449 (0.0138517% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078783260084 (0.00474543% change) large trace change predicted (0.0134462%) linmin: converged after 11 iterations. iteration 47: trace = 2.586730945154498 (0.0134461% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416748640698 (0.0121472% change) linmin: converged after 4 iterations. iteration 49: trace = 2.58617269284236 (0.0094365% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801979697706 (0.0143355% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704615333812 (0.00376542% change) large trace change predicted (0.00796062%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499823527465 (0.00792047% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309103142582 (0.00737681% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225685346267 (0.00322666% change) large trace change predicted (0.00858072%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005388880063 (0.00852173% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916436170431 (0.00344116% change) linmin: converged after 3 iterations. iteration 57: trace = 2.584748118065533 (0.00651176% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504243703837 (0.00943558% change) linmin: converged after 5 iterations. iteration 59: trace = 2.58441870929796 (0.00330956% change) large trace change predicted (0.00842777%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201832061457 (0.00839207% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099116928128 (0.00397481% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934387426116 (0.00637494% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709086143977 (0.00871969% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615303596189 (0.00362983% change) large trace change predicted (0.00904912%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383065985255 (0.00898927% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261817052908 (0.00469353% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112578823719 (0.00577729% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958408053899 (0.00596859% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869907040918 (0.0034264% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791348541924 (0.00304157% change) linmin: converged after 4 iterations. iteration 71: trace = 2.582689741007504 (0.0039341% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487366629814 (0.00783611% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430453958849 (0.00220382% change) large trace change predicted (0.00655171%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260864559661 (0.00656726% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582143021268454 (0.00456367% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089107295908 (0.00208798% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989431924498 (0.00386034% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949472930305 (0.00154762% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896459257402 (0.00205326% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814632582808 (0.0031693% change) linmin: converged after 8 iterations. iteration 81: trace = 2.581795111738478 (0.000756093% change) large trace change predicted (0.00246215%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731376217022 (0.00246868% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679824632536 (0.0019968% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660367994335 (0.000753645% change) large trace change predicted (0.00226661%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601717821526 (0.00227183% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512345867647 (0.00346194% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471227992637 (0.0015928% change) large trace change predicted (0.00460237%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352116263461 (0.00461421% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296779531606 (0.00214373% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194600924959 (0.0039585% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064488612853 (0.00504091% change) linmin: converged after 5 iterations. iteration 92: trace = 2.581038716555532 (0.00099851% change) large trace change predicted (0.0040394%) linmin: converged after 5 iterations. iteration 93: trace = 2.58093458776426 (0.00403446% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892432238924 (0.00163336% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844724890247 (0.0018485% change) linmin: converged after 6 iterations. iteration 96: trace = 2.580750183705137 (0.00366325% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717828611179 (0.00125372% change) large trace change predicted (0.0030374%) linmin: converged after 5 iterations. iteration 98: trace = 2.580639620565305 (0.00303052% change) linmin: converged after 3 iterations. iteration 99: trace = 2.58058680556341 (0.00204661% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568646580939 (0.000703679% change) large trace change predicted (0.00145474%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531174749226 (0.00145209% change) linmin: converged after 6 iterations. iteration 102: trace = 2.580515821400738 (0.00059497% change) linmin: converged after 3 iterations. iteration 103: trace = 2.580499610257485 (0.000628215% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473844714205 (0.000998476% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463057663908 (0.000418027% change) large trace change predicted (0.00115936%) linmin: converged after 5 iterations. iteration 106: trace = 2.580433181712845 (0.00115778% change) linmin: converged after 4 iterations. iteration 107: trace = 2.580404842706844 (0.00109823% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391220614823 (0.000527907% change) large trace change predicted (0.00162401%) linmin: converged after 6 iterations. iteration 109: trace = 2.58034938545596 (0.00162129% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298612764278 (0.00196769% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288508159597 (0.000391607% change) large trace change predicted (0.00143953%) linmin: converged after 4 iterations. iteration 112: trace = 2.580251404412864 (0.00143798% change) linmin: converged after 3 iterations. iteration 113: trace = 2.58023664525397 (0.000572006% change) linmin: converged after 11 iterations. iteration 114: trace = 2.580210094826152 (0.001029% change) linmin: converged after 3 iterations. iteration 115: trace = 2.58015741422241 (0.00204174% change) linmin: converged after 4 iterations. iteration 116: trace = 2.58014461711526 (0.000495983% change) large trace change predicted (0.00229676%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085296752692 (0.00229914% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043058127242 (0.00163712% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026058405644 (0.000658895% change) large trace change predicted (0.00241022%) linmin: converged after 3 iterations. iteration 120: trace = 2.57996378178859 (0.00241383% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916640550724 (0.00182722% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904056238242 (0.000487781% change) large trace change predicted (0.00145245%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866542252547 (0.0014541% change) linmin: converged after 4 iterations. iteration 124: trace = 2.579847592337901 (0.000734534% change) linmin: converged after 3 iterations. iteration 125: trace = 2.579816281551699 (0.00121368% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774349284264 (0.00162541% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579756590919291 (0.000688371% change) large trace change predicted (0.00190679%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707395141529 (0.00190701% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579653617637238 (0.00208466% change) linmin: converged after 4 iterations. iteration 130: trace = 2.579637916552168 (0.000608653% change) large trace change predicted (0.00175039%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592840731829 (0.00174739% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574096929589 (0.000726621% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568114449036 (0.000231918% change) large trace change predicted (0.001722%) linmin: converged after 4 iterations. iteration 134: trace = 2.579523666343963 (0.0017231% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512581470192 (0.000429727% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493216582579 (0.000750722% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467345140199 (0.00100297% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459760113513 (0.000294054% change) large trace change predicted (0.00116611%) linmin: converged after 8 iterations. iteration 139: trace = 2.579429699942999 (0.00116537% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579415960578535 (0.000532653% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409114902801 (0.000265397% change) linmin: converged after 7 iterations. iteration 142: trace = 2.579396475750914 (0.000490003% change) linmin: converged after 4 iterations. iteration 143: trace = 2.579389496853502 (0.000270564% change) linmin: converged after 6 iterations. iteration 144: trace = 2.579378564721089 (0.000423827% change) linmin: converged after 4 iterations. iteration 145: trace = 2.57935911532702 (0.000754037% change) linmin: converged after 4 iterations. iteration 146: trace = 2.579354333271482 (0.000185397% change) large trace change predicted (0.000499916%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341448525281 (0.000499535% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579326843829279 (0.00056622% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321332211588 (0.000213685% change) large trace change predicted (0.000602531%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305792334234 (0.000602481% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579295529599734 (0.000397888% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281579557514 (0.000540848% change) linmin: converged after 4 iterations. iteration 153: trace = 2.579262991642048 (0.000720665% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257834287736 (0.000199955% change) large trace change predicted (0.000501703%) linmin: converged after 5 iterations. iteration 155: trace = 2.579244893868627 (0.000501712% change) linmin: converged after 12 iterations. iteration 156: trace = 2.579230291884151 (0.000566136% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225933151878 (0.000168994% change) large trace change predicted (0.000602353%) linmin: converged after 28 iterations. iteration 158: trace = 2.579210404201151 (0.00060208% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202201581079 (0.000318029% change) linmin: converged after 3 iterations. iteration 160: trace = 2.579194288343271 (0.00030681% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234657636 (0.000428572% change) linmin: converged after 3 iterations. iteration 162: trace = 2.579177094550377 (0.000238064% change) linmin: converged after 4 iterations. iteration 163: trace = 2.57916659339966 (0.000407152% change) linmin: converged after 6 iterations. iteration 164: trace = 2.579151163030524 (0.000598271% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579147648594193 (0.000136263% change) large trace change predicted (0.000303338%) linmin: converged after 4 iterations. iteration 166: trace = 2.57913982732519 (0.000303251% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579133123981774 (0.000259907% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130526048661 (0.000100729% change) large trace change predicted (0.000322419%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122206736161 (0.000322563% change) linmin: converged after 4 iterations. iteration 170: trace = 2.579119316372324 (0.000112068% change) linmin: converged after 4 iterations. iteration 171: trace = 2.579114500842551 (0.000186712% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109325546197 (0.000200662% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579107944741859 (5.3538e-05% change) large trace change predicted (0.000194876%) linmin: converged after 3 iterations. iteration 174: trace = 2.579102915570909 (0.000194997% change) linmin: converged after 11 iterations. iteration 175: trace = 2.579098411465147 (0.000174639% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096620862684 (6.94275e-05% change) large trace change predicted (0.000229779%) linmin: converged after 3 iterations. iteration 177: trace = 2.57909068903246 (0.000229997% change) linmin: converged after 3 iterations. iteration 178: trace = 2.57908722597381 (0.000134274% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085275581576 (7.56234e-05% change) large trace change predicted (0.000238926%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079110485394 (0.000239042% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579077118821251 (7.72239e-05% change) large trace change predicted (0.000245839%) linmin: converged after 4 iterations. iteration 182: trace = 2.579070776674144 (0.000245908% change) linmin: converged after 4 iterations. iteration 183: trace = 2.579062519937734 (0.000320144% change) linmin: converged after 4 iterations. iteration 184: trace = 2.579059772313992 (0.000106536% change) large trace change predicted (0.000240066%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053579658166 (0.000240113% change) linmin: converged after 4 iterations. iteration 186: trace = 2.579045264581167 (0.000322409% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042485940616 (0.000107739% change) large trace change predicted (0.000296458%) linmin: converged after 3 iterations. iteration 188: trace = 2.579034843461428 (0.000296331% change) linmin: converged after 4 iterations. iteration 189: trace = 2.579032597962294 (8.70675e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028655164773 (0.000152879% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022910879041 (0.000222731% change) linmin: converged after 7 iterations. iteration 192: trace = 2.579021622787959 (4.99449e-05% change) large trace change predicted (0.000203214%) linmin: converged after 3 iterations. iteration 193: trace = 2.579016385227683 (0.000203083% change) linmin: converged after 7 iterations. iteration 194: trace = 2.579010649159224 (0.000222413% change) linmin: converged after 4 iterations. iteration 195: trace = 2.579009216830626 (5.55379e-05% change) large trace change predicted (0.000151487%) linmin: converged after 5 iterations. iteration 196: trace = 2.579005312263789 (0.000151398% change) linmin: converged after 6 iterations. iteration 197: trace = 2.579001471136257 (0.000148938% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000202095394 (4.92067e-05% change) large trace change predicted (0.000142495%) linmin: converged after 4 iterations. iteration 199: trace = 2.578996529822402 (0.000142391% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578995187350642 (5.2054e-05% change) large trace change predicted (0.000131731%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991792415594 (0.000131638% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988993888872 (0.000108512% change) linmin: converged after 5 iterations. iteration 203: trace = 2.578987762684613 (4.77398e-05% change) large trace change predicted (0.000135855%) linmin: converged after 3 iterations. iteration 204: trace = 2.578984260530736 (0.000135796% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578980856605261 (0.000131987% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978830383538 (7.85668e-05% change) large trace change predicted (0.000160162%) linmin: converged after 3 iterations. iteration 207: trace = 2.578974698738432 (0.000160205% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578973015751278 (6.5258e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970593185892 (9.39353e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578968714970213 (7.28281e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.578967709801617 (3.89756e-05% change) large trace change predicted (8.45731e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.578965528390797 (8.45847e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964563648843 (3.74081e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.578962691495152 (7.25933e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960582717608 (8.17685e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.578959861533169 (2.79642e-05% change) large trace change predicted (6.89091e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.578958084037421 (6.8923e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.578955797477816 (8.86622e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.57895504299751 (2.92553e-05% change) large trace change predicted (7.33764e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.578953149960638 (7.34033e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952452927342 (2.70278e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.578951239347376 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949560038214 (6.5116e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948829317527 (2.8334e-05% change) large trace change predicted (6.89296e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.57894705091941 (6.89583e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944887353176 (8.38934e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.578944180787921 (2.73975e-05% change) large trace change predicted (0.000106351%) linmin: converged after 5 iterations. iteration 228: trace = 2.578941437166416 (0.000106386% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578939973196951 (5.67663e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938658299422 (5.0986e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936212270739 (9.48464e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935104609958 (4.29503e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.57893355483672 (6.00936e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932051113395 (5.8308e-05% change) linmin: converged after 4 iterations. iteration 235: trace = 2.578931430256686 (2.40742e-05% change) large trace change predicted (6.3687e-05%) linmin: converged after 4 iterations. iteration 236: trace = 2.578929787965555 (6.36811e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927732842243 (7.9689e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.578927370696145 (1.40425e-05% change) large trace change predicted (7.88144e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925339249452 (7.8771e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924460385541 (3.40787e-05% change) linmin: converged after 8 iterations. iteration 241: trace = 2.578923850546401 (2.3647e-05% change) large trace change predicted (4.97598e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.578922567884795 (4.97363e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922080751145 (1.8889e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.578921459580042 (2.40865e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.578920588759444 (3.37669e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.578920152669645 (1.69098e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.578919528317649 (2.42098e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.57891839601165 (4.39062e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578918027857583 (1.42755e-05% change) large trace change predicted (4.59907e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.578916842021182 (4.59819e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.578916059169786 (3.03558e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.578915623446967 (1.68956e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.578914755413444 (3.36589e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.578914220269266 (2.07508e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913286361983 (3.62132e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.578911970243699 (5.10338e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911690891971 (1.08322e-05% change) large trace change predicted (4.1962e-05%) linmin: converged after 19 iterations. iteration 258: trace = 2.57891060870616 (4.19629e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909258395869 (5.23597e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908933608401 (1.2594e-05% change) large trace change predicted (6.02701e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907379207026 (6.02736e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906522316381 (3.32269e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.578905991059567 (2.06001e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.578905011242142 (3.79935e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.57890431127686 (2.7142e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.578903889516543 (1.63542e-05% change) large trace change predicted (4.42885e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.578902747575397 (4.42801e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902526433914 (8.57502e-06% change) large trace change predicted (3.14436e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.578901715648348 (3.14392e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900890314848 (3.20033e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.578900701551541 (7.31953e-06% change) large trace change predicted (2.65202e-05%) linmin: converged after 5 iterations. iteration 272: trace = 2.578900017648208 (2.65192e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899271387342 (2.89372e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899118432121 (5.93103e-06% change) large trace change predicted (2.54228e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898462777596 (2.54238e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898159127796 (1.17744e-05% change) linmin: converged after 5 iterations. iteration 277: trace = 2.578897869249839 (1.12404e-05% change) large trace change predicted (2.31179e-05%) linmin: converged after 7 iterations. iteration 278: trace = 2.578897273050618 (2.31184e-05% change) linmin: converged after 5 iterations. iteration 279: trace = 2.578896730929192 (2.10214e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896287665295 (1.71881e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.5788958899988 (1.542e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895754454166 (5.25592e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578895485195463 (1.04409e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.578895087730657 (1.54122e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578894975971315 (4.33361e-06% change) large trace change predicted (1.81265e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.578894508574154 (1.81239e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.57889410801878 (1.55321e-05% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578893999560019 (4.20563e-06% change) large trace change predicted (1.59254e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893588928751 (1.59228e-05% change) linmin: converged after 7 iterations. iteration 290: trace = 2.578893306795367 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.578893123980304 (7.0889e-06% change) large trace change predicted (1.69244e-05%) linmin: converged after 3 iterations. iteration 292: trace = 2.578892687544148 (1.69234e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892518215895 (6.56593e-06% change) linmin: converged after 3 iterations. iteration 294: trace = 2.578892241221396 (1.07408e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891835610835 (1.57281e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.578891612915137 (8.63533e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.57889126373564 (1.35399e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.578890876180742 (1.5028e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.578890683270827 (7.48034e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.578890325968974 (1.38549e-05% change) linmin: converged after 5 iterations. iteration 301: trace = 2.578890085566034 (9.32195e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889936017831 (5.79894e-06% change) large trace change predicted (1.31324e-05%) linmin: converged after 19 iterations. iteration 303: trace = 2.578889597397355 (1.31305e-05% change) linmin: converged after 2 iterations. iteration 304: trace = 2.5788895208872 (2.96679e-06% change) large trace change predicted (9.17308e-06%) linmin: converged after 4 iterations. iteration 305: trace = 2.578889284341206 (9.1724e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.578889040073928 (9.4718e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.578888806884359 (9.04225e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888736130238 (2.74359e-06% change) large trace change predicted (1.0083e-05%) linmin: converged after 4 iterations. iteration 309: trace = 2.578888476085962 (1.00836e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888389309429 (3.36488e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.578888222547906 (6.46641e-06% change) linmin: converged after 18 iterations. iteration 312: trace = 2.578888068859919 (5.95947e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578888019568005 (1.91136e-06% change) large trace change predicted (5.76668e-06%) linmin: converged after 4 iterations. iteration 314: trace = 2.578887870845399 (5.76693e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887718433325 (5.90999e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887677161438 (1.60038e-06% change) large trace change predicted (7.15223e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578887492693028 (7.15302e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887351236361 (5.48518e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.578887270444731 (3.13281e-06% change) large trace change predicted (1.02195e-05%) linmin: converged after 4 iterations. iteration 320: trace = 2.578887006872511 (1.02204e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886955611378 (1.98772e-06% change) large trace change predicted (7.85794e-06%) linmin: converged after 2 iterations. iteration 322: trace = 2.578886752955543 (7.85827e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.578886590840106 (6.28626e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.578886530251842 (2.3494e-06% change) large trace change predicted (5.63931e-06%) linmin: converged after 3 iterations. iteration 325: trace = 2.5788863848269 (5.63906e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886232586593 (5.90334e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.57888615054765 (3.18118e-06% change) large trace change predicted (7.48174e-06%) linmin: converged after 4 iterations. iteration 328: trace = 2.578885957625688 (7.48083e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885864164633 (3.62409e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885776693701 (3.39181e-06% change) large trace change predicted (7.33093e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.578885587670807 (7.32963e-06% change) linmin: converged after 27 iterations. iteration 332: trace = 2.578885538373884 (1.91156e-06% change) large trace change predicted (5.04363e-06%) linmin: converged after 3 iterations. iteration 333: trace = 2.578885408321698 (5.04296e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.578885265495369 (5.5383e-06% change) linmin: converged after 16 iterations. iteration 335: trace = 2.578885235565986 (1.16056e-06% change) large trace change predicted (3.35533e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.578885149043622 (3.35503e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885066707878 (3.19269e-06% change) linmin: converged after 8 iterations. iteration 338: trace = 2.578885041183195 (9.89757e-07% change) large trace change predicted (3.32552e-06%) linmin: converged after 3 iterations. iteration 339: trace = 2.578884955426909 (3.32532e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.578884848723537 (4.13758e-06% change) linmin: converged after 14 iterations. iteration 341: trace = 2.578884818458568 (1.17357e-06% change) large trace change predicted (4.0853e-06%) linmin: converged after 7 iterations. iteration 342: trace = 2.57888471310624 (4.08519e-06% change) linmin: converged after 18 iterations. iteration 343: trace = 2.578884642392182 (2.74204e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884602713305 (1.53861e-06% change) large trace change predicted (4.4568e-06%) linmin: converged after 5 iterations. iteration 345: trace = 2.57888448777896 (4.45675e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.578884431780175 (2.17143e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.578884386051757 (1.77319e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.57888431058125 (2.92648e-06% change) linmin: converged after 24 iterations. iteration 349: trace = 2.578884267815745 (1.65829e-06% change) resetting CG direction... linmin: converged after 9 iterations. iteration 350: trace = 2.57888422833012 (1.53111e-06% change) linmin: converged after 6 iterations. iteration 351: trace = 2.578884167212491 (2.36993e-06% change) linmin: converged after 3 iterations. iteration 352: trace = 2.578884135134724 (1.24386e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.578884090075526 (1.74724e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578884011742868 (3.03746e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.578883994515857 (6.68003e-07% change) large trace change predicted (2.17546e-06%) linmin: converged after 5 iterations. iteration 356: trace = 2.578883938409311 (2.17561e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.578883881997645 (2.18744e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.578883862483115 (7.56704e-07% change) large trace change predicted (2.56736e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.578883796268618 (2.56756e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.578883777226458 (7.38388e-07% change) linmin: converged after 2 iterations. iteration 361: trace = 2.578883743261209 (1.31705e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.578883702488097 (1.58104e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.57888368633559 (6.26337e-07% change) large trace change predicted (1.65619e-06%) linmin: converged after 2 iterations. iteration 364: trace = 2.578883643621738 (1.65629e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.578883577061982 (2.58095e-06% change) linmin: converged after 8 iterations. iteration 366: trace = 2.578883554707284 (8.66836e-07% change) large trace change predicted (2.20978e-06%) linmin: converged after 2 iterations. iteration 367: trace = 2.57888349771743 (2.20987e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.578883427926582 (2.70624e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.578883406635272 (8.25602e-07% change) large trace change predicted (1.99771e-06%) linmin: converged after 2 iterations. iteration 370: trace = 2.578883355116631 (1.99771e-06% change) linmin: converged after 6 iterations. iteration 371: trace = 2.578883286972285 (2.6424e-06% change) linmin: converged after 16 iterations. iteration 372: trace = 2.578883267400527 (7.58924e-07% change) large trace change predicted (2.58803e-06%) linmin: converged after 2 iterations. iteration 373: trace = 2.57888320065819 (2.58803e-06% change) linmin: converged after 10 iterations. iteration 374: trace = 2.578883160950679 (1.53972e-06% change) linmin: converged after 13 iterations. iteration 375: trace = 2.578883142543416 (7.13769e-07% change) large trace change predicted (2.24375e-06%) linmin: converged after 3 iterations. iteration 376: trace = 2.57888308468267 (2.24364e-06% change) linmin: converged after 10 iterations. iteration 377: trace = 2.578883025109856 (2.31002e-06% change) linmin: converged after 12 iterations. iteration 378: trace = 2.578883013424509 (4.53117e-07% change) large trace change predicted (2.17064e-06%) linmin: converged after 4 iterations. iteration 379: trace = 2.578882957449465 (2.17052e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.578882925837505 (1.2258e-06% change) linmin: converged after 9 iterations. iteration 381: trace = 2.578882910105894 (6.10016e-07% change) large trace change predicted (1.62587e-06%) linmin: converged after 22 iterations. iteration 382: trace = 2.57888286817952 (1.62576e-06% change) linmin: converged after 18 iterations. iteration 383: trace = 2.578882858838719 (3.62203e-07% change) large trace change predicted (1.10116e-06%) linmin: converged after 14 iterations. iteration 384: trace = 2.578882830442491 (1.10111e-06% change) linmin: converged after 35 iterations. iteration 385: trace = 2.578882802410506 (1.08698e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.578882784966687 (6.7641e-07% change) linmin: converged after 5 iterations. iteration 387: trace = 2.578882767429097 (6.80046e-07% change) linmin: converged after 14 iterations. iteration 388: trace = 2.578882733287546 (1.32389e-06% change) linmin: converged after 4 iterations. iteration 389: trace = 2.57888272132615 (4.63821e-07% change) large trace change predicted (1.42871e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882684481917 (1.42869e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.578882658808092 (9.95541e-07% change) linmin: converged after 3 iterations. iteration 392: trace = 2.578882642954935 (6.1473e-07% change) linmin: converged after 3 iterations. iteration 393: trace = 2.578882616553765 (1.02374e-06% change) linmin: converged after 8 iterations. iteration 394: trace = 2.578882587926257 (1.11007e-06% change) linmin: converged after 5 iterations. iteration 395: trace = 2.578882573063998 (5.76306e-07% change) large trace change predicted (1.47032e-06%) linmin: converged after 2 iterations. iteration 396: trace = 2.578882535145632 (1.47034e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.578882526245823 (3.45103e-07% change) large trace change predicted (1.08143e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.57888249835706 (1.08143e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882465578491 (1.27104e-06% change) linmin: converged after 19 iterations. iteration 400: trace = 2.578882448731245 (6.53277e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.578882415744254 (1.27912e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.578882383822383 (1.23782e-06% change) linmin: converged after 13 iterations. iteration 403: trace = 2.57888237186781 (4.63556e-07% change) large trace change predicted (1.08975e-06%) linmin: converged after 11 iterations. iteration 404: trace = 2.578882343763326 (1.08979e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.578882322723003 (8.1587e-07% change) linmin: converged after 22 iterations. iteration 406: trace = 2.578882314178037 (3.31344e-07% change) large trace change predicted (9.95795e-07%) linmin: converged after 8 iterations. iteration 407: trace = 2.578882288497162 (9.95814e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.578882274931218 (5.2604e-07% change) linmin: converged after 7 iterations. iteration 409: trace = 2.578882262988782 (4.63086e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882241085648 (8.49327e-07% change) linmin: converged after 5 iterations. iteration 411: trace = 2.578882235455017 (2.18336e-07% change) large trace change predicted (7.39992e-07%) linmin: converged after 3 iterations. iteration 412: trace = 2.578882216371586 (7.39988e-07% change) linmin: converged after 3 iterations. iteration 413: trace = 2.578882192306764 (9.33149e-07% change) linmin: converged after 5 iterations. iteration 414: trace = 2.578882185166103 (2.7689e-07% change) large trace change predicted (6.0813e-07%) linmin: converged after 20 iterations. iteration 415: trace = 2.578882169483405 (6.0812e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882156093668 (5.19207e-07% change) linmin: converged after 4 iterations. iteration 417: trace = 2.578882148049813 (3.11912e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.578882138332705 (3.76795e-07% change) large trace change predicted (4.10231e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.57888203255024 (4.10187e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 420: trace = 2.578882001414857 (1.20732e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.57888198168971 (7.64872e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.578881974277851 (2.87406e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.578881962864237 (4.4258e-07% change) linmin: converged after 3 iterations. iteration 424: trace = 2.578881955412863 (2.88938e-07% change) linmin: converged after 11 iterations. iteration 425: trace = 2.578881952599149 (1.09106e-07% change) large trace change predicted (4.08628e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578881942061155 (4.08626e-07% change) linmin: converged after 7 iterations. iteration 427: trace = 2.578881935946643 (2.37099e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.578881933220652 (1.05704e-07% change) large trace change predicted (2.853e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.578881925863133 (2.85299e-07% change) linmin: converged after 5 iterations. iteration 430: trace = 2.578881918861035 (2.71517e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.578881915686762 (1.23087e-07% change) large trace change predicted (4.42272e-07%) linmin: converged after 4 iterations. iteration 432: trace = 2.578881904281187 (4.42268e-07% change) linmin: converged after 11 iterations. iteration 433: trace = 2.57888189922615 (1.96017e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.578881893089352 (2.37963e-07% change) linmin: converged after 5 iterations. iteration 435: trace = 2.578881886221618 (2.66307e-07% change) linmin: converged after 6 iterations. iteration 436: trace = 2.578881882795108 (1.32868e-07% change) large trace change predicted (2.82053e-07%) linmin: converged after 12 iterations. iteration 437: trace = 2.578881875521383 (2.8205e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.578881866718654 (3.41339e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881863079233 (1.41124e-07% change) large trace change predicted (3.17561e-07%) linmin: converged after 3 iterations. iteration 440: trace = 2.578881854889808 (3.17557e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.578881849411369 (2.12435e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881843615585 (2.2474e-07% change) linmin: converged after 8 iterations. iteration 443: trace = 2.578881834950654 (3.35996e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881830311306 (1.79898e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.578881828375051 (7.50812e-08% change) large trace change predicted (1.93627e-07%) linmin: converged after 3 iterations. iteration 446: trace = 2.578881823381663 (1.93626e-07% change) linmin: converged after 7 iterations. iteration 447: trace = 2.578881818911962 (1.73319e-07% change) linmin: converged after 16 iterations. iteration 448: trace = 2.578881816939237 (7.64954e-08% change) large trace change predicted (1.68541e-07%) linmin: converged after 2 iterations. iteration 449: trace = 2.578881812592749 (1.68542e-07% change) linmin: converged after 13 iterations. iteration 450: trace = 2.57888180998494 (1.01122e-07% change) linmin: converged after 2 iterations. iteration 451: trace = 2.578881806387408 (1.395e-07% change) linmin: converged after 2 iterations. iteration 452: trace = 2.578881801702745 (1.81655e-07% change) linmin: converged after 4 iterations. iteration 453: trace = 2.578881800532051 (4.53954e-08% change) large trace change predicted (1.45438e-07%) linmin: converged after 7 iterations. iteration 454: trace = 2.578881796781342 (1.45439e-07% change) linmin: converged after 2 iterations. iteration 455: trace = 2.57888179405486 (1.05723e-07% change) linmin: converged after 18 iterations. iteration 456: trace = 2.578881790709824 (1.29709e-07% change) linmin: converged after 6 iterations. iteration 457: trace = 2.578881786616718 (1.58716e-07% change) linmin: converged after 25 iterations. iteration 458: trace = 2.578881784182502 (9.43903e-08% change) linmin: converged after 13 iterations. iteration 459: trace = 2.578881782697347 (5.75891e-08% change) large trace change predicted (1.85288e-07%) linmin: converged after 20 iterations. iteration 460: trace = 2.578881777918918 (1.85291e-07% change) linmin: converged after 2 iterations. iteration 461: trace = 2.578881776055878 (7.22422e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881772340515 (1.44069e-07% change) linmin: converged after 10 iterations. iteration 463: trace = 2.578881768909506 (1.33042e-07% change) linmin: converged after 3 iterations. iteration 464: trace = 2.578881766121611 (1.08105e-07% change) linmin: converged after 17 iterations. iteration 465: trace = 2.578881764451818 (6.47487e-08% change) large trace change predicted (1.6705e-07%) linmin: converged after 4 iterations. iteration 466: trace = 2.578881760143803 (1.6705e-07% change) linmin: converged after 7 iterations. iteration 467: trace = 2.578881759396851 (2.89642e-08% change) large trace change predicted (1.39554e-07%) linmin: converged after 7 iterations. iteration 468: trace = 2.57888175579796 (1.39552e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.578881753502724 (8.90012e-08% change) linmin: converged after 6 iterations. iteration 470: trace = 2.578881751530404 (7.64797e-08% change) large trace change predicted (1.64211e-07%) linmin: converged after 12 iterations. iteration 471: trace = 2.578881747295646 (1.64209e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.578881744437918 (1.10813e-07% change) linmin: converged after 14 iterations. iteration 473: trace = 2.578881743681069 (2.93479e-08% change) large trace change predicted (9.12322e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.578881741328326 (9.12311e-08% change) linmin: converged after 7 iterations. iteration 475: trace = 2.578881738765879 (9.93627e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881737927481 (3.25101e-08% change) large trace change predicted (1.02946e-07%) linmin: converged after 4 iterations. iteration 477: trace = 2.578881735272673 (1.02944e-07% change) linmin: converged after 7 iterations. iteration 478: trace = 2.578881733494461 (6.89528e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.578881732930764 (2.18582e-08% change) large trace change predicted (8.73871e-08%) linmin: converged after 7 iterations. iteration 480: trace = 2.578881730677189 (8.73858e-08% change) linmin: converged after 10 iterations. iteration 481: trace = 2.578881729820675 (3.32126e-08% change) linmin: converged after 9 iterations. iteration 482: trace = 2.578881728681377 (4.4178e-08% change) large trace change predicted (9.04282e-08%) linmin: converged after 3 iterations. iteration 483: trace = 2.578881726349349 (9.04279e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.578881725726397 (2.41559e-08% change) large trace change predicted (7.02151e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.578881723915634 (7.02151e-08% change) linmin: converged after 4 iterations. iteration 486: trace = 2.578881722615295 (5.04226e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.578881722206721 (1.58431e-08% change) large trace change predicted (3.6933e-08%) linmin: converged after 2 iterations. iteration 488: trace = 2.57888172125426 (3.69331e-08% change) linmin: converged after 13 iterations. iteration 489: trace = 2.578881719585277 (6.47173e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.57888171888873 (2.70097e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.578881718084623 (3.11805e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881717604491 (1.86178e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881717004805 (2.32537e-08% change) linmin: converged after 3 iterations. iteration 494: trace = 2.578881715921646 (4.20011e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.57888171558842 (1.29214e-08% change) large trace change predicted (5.08189e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.578881714277853 (5.08192e-08% change) linmin: converged after 23 iterations. iteration 497: trace = 2.578881713204562 (4.16185e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881712762302 (1.71493e-08% change) large trace change predicted (4.78776e-08%) linmin: converged after 8 iterations. iteration 499: trace = 2.578881711527581 (4.78782e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.578881710974068 (2.14633e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.578881710025923 (3.67657e-08% change) linmin: converged after 24 iterations. iteration 502: trace = 2.57888170888197 (4.43585e-08% change) linmin: converged after 3 iterations. iteration 503: trace = 2.578881708510016 (1.44231e-08% change) large trace change predicted (5.61478e-08%) linmin: converged after 13 iterations. iteration 504: trace = 2.578881707062016 (5.61483e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881706093314 (3.75629e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.578881705717529 (1.45717e-08% change) large trace change predicted (5.93041e-08%) linmin: converged after 7 iterations. iteration 507: trace = 2.578881704188132 (5.93047e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881702874284 (5.09464e-08% change) linmin: converged after 9 iterations. iteration 509: trace = 2.578881702043305 (3.22224e-08% change) linmin: converged after 33 iterations. iteration 510: trace = 2.578881700506313 (5.95992e-08% change) linmin: converged after 8 iterations. iteration 511: trace = 2.578881698856581 (6.39708e-08% change) linmin: converged after 25 iterations. iteration 512: trace = 2.578881698305443 (2.13712e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881697318028 (3.82885e-08% change) linmin: converged after 6 iterations. iteration 514: trace = 2.578881696453907 (3.35076e-08% change) linmin: converged after 24 iterations. iteration 515: trace = 2.578881696040486 (1.6031e-08% change) large trace change predicted (3.3052e-08%) linmin: converged after 19 iterations. iteration 516: trace = 2.578881695188117 (3.30519e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881694077508 (4.30655e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881693851104 (8.77916e-09% change) large trace change predicted (3.4599e-08%) linmin: converged after 5 iterations. iteration 519: trace = 2.578881692958843 (3.45988e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.578881691965827 (3.85057e-08% change) linmin: converged after 18 iterations. iteration 521: trace = 2.578881691714425 (9.74847e-09% change) large trace change predicted (2.56216e-08%) linmin: converged after 6 iterations. iteration 522: trace = 2.578881691053676 (2.56216e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.57888169029596 (2.93816e-08% change) linmin: converged after 3 iterations. iteration 524: trace = 2.578881690098096 (7.67245e-09% change) large trace change predicted (3.62996e-08%) linmin: converged after 4 iterations. iteration 525: trace = 2.578881689161979 (3.62994e-08% change) linmin: converged after 3 iterations. iteration 526: trace = 2.578881688581245 (2.25188e-08% change) linmin: converged after 30 iterations. iteration 527: trace = 2.578881688348686 (9.0178e-09% change) large trace change predicted (2.9535e-08%) linmin: converged after 3 iterations. iteration 528: trace = 2.578881687587014 (2.9535e-08% change) linmin: converged after 5 iterations. iteration 529: trace = 2.578881686716563 (3.37531e-08% change) linmin: converged after 2 iterations. iteration 530: trace = 2.578881686421467 (1.14428e-08% change) large trace change predicted (3.29164e-08%) linmin: converged after 2 iterations. iteration 531: trace = 2.578881685572594 (3.29163e-08% change) linmin: converged after 4 iterations. iteration 532: trace = 2.578881685309287 (1.02101e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881684861761 (1.73535e-08% change) linmin: converged after 4 iterations. iteration 534: trace = 2.578881683985564 (3.39758e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.578881683754606 (8.95576e-09% change) large trace change predicted (2.36327e-08%) linmin: converged after 4 iterations. iteration 536: trace = 2.57888168314514 (2.36329e-08% change) linmin: converged after 10 iterations. iteration 537: trace = 2.578881682571086 (2.22598e-08% change) linmin: converged after 13 iterations. iteration 538: trace = 2.578881682368509 (7.85523e-09% change) large trace change predicted (2.28578e-08%) linmin: converged after 27 iterations. iteration 539: trace = 2.578881681779028 (2.2858e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881680797204 (3.80717e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.578881680612665 (7.15578e-09% change) large trace change predicted (2.58063e-08%) linmin: converged after 4 iterations. iteration 542: trace = 2.578881679947155 (2.58062e-08% change) linmin: converged after 4 iterations. iteration 543: trace = 2.578881679399616 (2.12316e-08% change) linmin: converged after 16 iterations. iteration 544: trace = 2.578881679234923 (6.38621e-09% change) large trace change predicted (1.8202e-08%) linmin: converged after 4 iterations. iteration 545: trace = 2.578881678765514 (1.8202e-08% change) linmin: converged after 8 iterations. iteration 546: trace = 2.578881678225997 (2.09206e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881677957258 (1.04207e-08% change) linmin: converged after 3 iterations. iteration 548: trace = 2.578881677551496 (1.57341e-08% change) linmin: converged after 8 iterations. iteration 549: trace = 2.578881677156865 (1.53024e-08% change) linmin: converged after 9 iterations. iteration 550: trace = 2.578881677012285 (5.6063e-09% change) large trace change predicted (1.24192e-08%) linmin: converged after 25 iterations. iteration 551: trace = 2.578881676692006 (1.24193e-08% change) linmin: converged after 25 iterations. iteration 552: trace = 2.578881676201708 (1.9012e-08% change) linmin: converged after 5 iterations. iteration 553: trace = 2.578881676070328 (5.09447e-09% change) large trace change predicted (2.11621e-08%) linmin: converged after 7 iterations. iteration 554: trace = 2.578881675524583 (2.11621e-08% change) linmin: converged after 8 iterations. iteration 555: trace = 2.578881675290996 (9.05768e-09% change) linmin: converged after 22 iterations. iteration 556: trace = 2.578881675180982 (4.26597e-09% change) large trace change predicted (1.61602e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674764232 (1.61601e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674334009 (1.66825e-08% change) large trace change predicted (3.52697e-08%) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673424452 (3.52694e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.578881672880023 (2.1111e-08% change) linmin: converged after 5 iterations. iteration 561: trace = 2.578881672680256 (7.74626e-09% change) linmin: converged after 25 iterations. iteration 562: trace = 2.578881672362635 (1.23162e-08% change) linmin: converged after 19 iterations. iteration 563: trace = 2.578881672284253 (3.03939e-09% change) linmin: converged after 2 iterations. iteration 564: trace = 2.578881672129735 (5.99167e-09% change) linmin: converged after 17 iterations. iteration 565: trace = 2.578881671925359 (7.92497e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.57888167184932 (2.94855e-09% change) large trace change predicted (8.93328e-09%) linmin: converged after 24 iterations. iteration 567: trace = 2.578881671618939 (8.93335e-09% change) linmin: converged after 22 iterations. iteration 568: trace = 2.578881671439694 (6.9505e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881671390202 (1.91914e-09% change) large trace change predicted (8.98693e-09%) linmin: converged after 5 iterations. iteration 570: trace = 2.578881671158436 (8.98706e-09% change) linmin: converged after 16 iterations. iteration 571: trace = 2.578881671023423 (5.23534e-09% change) linmin: converged after 23 iterations. iteration 572: trace = 2.578881670886128 (5.3238e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.57888167061433 (1.05394e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.57888167047332 (5.4679e-09% change) linmin: converged after 2 iterations. iteration 575: trace = 2.578881670382614 (3.51723e-09% change) large trace change predicted (9.72658e-09%) linmin: converged after 4 iterations. iteration 576: trace = 2.578881670131778 (9.72653e-09% change) linmin: converged after 2 iterations. iteration 577: trace = 2.57888167005623 (2.92949e-09% change) large trace change predicted (8.33047e-09%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881669841399 (8.3304e-09% change) linmin: converged after 16 iterations. iteration 579: trace = 2.578881669671451 (6.58999e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881669616973 (2.11247e-09% change) large trace change predicted (7.63815e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.578881669419995 (7.63812e-09% change) linmin: converged after 3 iterations. iteration 582: trace = 2.578881669253416 (6.45934e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669214003 (1.52829e-09% change) large trace change predicted (3.75678e-09%) linmin: converged after 19 iterations. iteration 584: trace = 2.578881669117119 (3.75683e-09% change) linmin: converged after 21 iterations. iteration 585: trace = 2.578881668988493 (4.98767e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.578881668925138 (2.45667e-09% change) linmin: converged after 13 iterations. iteration 587: trace = 2.578881668828271 (3.75618e-09% change) linmin: converged after 17 iterations. iteration 588: trace = 2.578881668704732 (4.79039e-09% change) linmin: converged after 14 iterations. iteration 589: trace = 2.578881668664982 (1.54138e-09% change) large trace change predicted (5.54873e-09%) linmin: converged after 5 iterations. iteration 590: trace = 2.578881668521888 (5.54868e-09% change) linmin: converged after 15 iterations. iteration 591: trace = 2.578881668383914 (5.35017e-09% change) linmin: converged after 7 iterations. iteration 592: trace = 2.578881668294432 (3.46977e-09% change) linmin: converged after 19 iterations. iteration 593: trace = 2.578881668237628 (2.20267e-09% change) large trace change predicted (5.03978e-09%) linmin: converged after 6 iterations. iteration 594: trace = 2.578881668107656 (5.03986e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.578881668073455 (1.32618e-09% change) large trace change predicted (3.65727e-09%) linmin: converged after 6 iterations. iteration 596: trace = 2.578881667979138 (3.6573e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881667875772 (4.00818e-09% change) linmin: converged after 18 iterations. iteration 598: trace = 2.578881667853007 (8.82743e-10% change) large trace change predicted (4.69625e-09%) linmin: converged after 4 iterations. iteration 599: trace = 2.578881667731894 (4.69632e-09% change) linmin: converged after 12 iterations. iteration 600: trace = 2.578881667641204 (3.51666e-09% change) linmin: converged after 4 iterations. iteration 601: trace = 2.578881667613043 (1.09197e-09% change) large trace change predicted (2.753e-09%) linmin: converged after 4 iterations. iteration 602: trace = 2.578881667542047 (2.75296e-09% change) linmin: converged after 12 iterations. iteration 603: trace = 2.578881667459425 (3.20381e-09% change) linmin: converged after 14 iterations. iteration 604: trace = 2.578881667444047 (5.96319e-10% change) large trace change predicted (3.19409e-09%) linmin: converged after 17 iterations. iteration 605: trace = 2.578881667361677 (3.19401e-09% change) linmin: converged after 17 iterations. iteration 606: trace = 2.578881667305295 (2.18628e-09% change) linmin: converged after 15 iterations. iteration 607: trace = 2.578881667282311 (8.91267e-10% change) large trace change predicted (2.90575e-09%) linmin: converged after 4 iterations. iteration 608: trace = 2.578881667207375 (2.90576e-09% change) linmin: converged after 3 iterations. iteration 609: trace = 2.578881667147459 (2.32332e-09% change) linmin: converged after 9 iterations. iteration 610: trace = 2.578881667088488 (2.28669e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.578881666998828 (3.47671e-09% change) linmin: converged after 5 iterations. iteration 612: trace = 2.578881666926084 (2.82076e-09% change) linmin: converged after 6 iterations. iteration 613: trace = 2.57888166690396 (8.5786e-10% change) large trace change predicted (2.43285e-09%) linmin: converged after 2 iterations. iteration 614: trace = 2.57888166684122 (2.43287e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.57888166677574 (2.53905e-09% change) linmin: converged after 4 iterations. iteration 616: trace = 2.578881666757212 (7.18462e-10% change) large trace change predicted (2.50814e-09%) linmin: converged after 10 iterations. iteration 617: trace = 2.57888166669253 (2.50813e-09% change) linmin: converged after 6 iterations. iteration 618: trace = 2.578881666651681 (1.584e-09% change) linmin: converged after 15 iterations. iteration 619: trace = 2.578881666633528 (7.03911e-10% change) large trace change predicted (1.83281e-09%) linmin: converged after 18 iterations. iteration 620: trace = 2.578881666586263 (1.83275e-09% change) linmin: converged after 3 iterations. iteration 621: trace = 2.57888166653182 (2.11111e-09% change) linmin: converged after 12 iterations. iteration 622: trace = 2.578881666519719 (4.69251e-10% change) large trace change predicted (1.63917e-09%) linmin: converged after 13 iterations. iteration 623: trace = 2.57888166647745 (1.63906e-09% change) linmin: converged after 18 iterations. iteration 624: trace = 2.578881666465879 (4.48673e-10% change) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666443046 (8.85395e-10% change) linmin: converged after 15 iterations. iteration 626: trace = 2.578881666412798 (1.17289e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666407355 (2.11086e-10% change) large trace change predicted (7.81056e-10%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666387216 (7.8092e-10% change) linmin: converged after 5 iterations. iteration 629: trace = 2.578881666359142 (1.08859e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.578881666343821 (5.94098e-10% change) linmin: converged after 10 iterations. iteration 631: trace = 2.57888166633352 (3.9944e-10% change) linmin: converged after 14 iterations. iteration 632: trace = 2.578881666315105 (7.14071e-10% change) linmin: converged after 15 iterations. iteration 633: trace = 2.578881666302706 (4.80789e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666287663 (5.83318e-10% change) linmin: converged after 7 iterations. iteration 635: trace = 2.578881666262296 (9.83636e-10% change) linmin: converged after 9 iterations. iteration 636: trace = 2.578881666237984 (9.42738e-10% change) linmin: converged after 6 iterations. iteration 637: trace = 2.578881666228343 (3.73851e-10% change) large trace change predicted (1.48265e-09%) linmin: converged after 11 iterations. iteration 638: trace = 2.578881666190106 (1.48268e-09% change) linmin: converged after 7 iterations. iteration 639: trace = 2.578881666181165 (3.46695e-10% change) large trace change predicted (1.36478e-09%) linmin: converged after 5 iterations. iteration 640: trace = 2.578881666145971 (1.3647e-09% change) linmin: converged after 3 iterations. iteration 641: trace = 2.578881666122883 (8.95279e-10% change) linmin: converged after 15 iterations. iteration 642: trace = 2.578881666109266 (5.28024e-10% change) large trace change predicted (1.20858e-09%) linmin: converged after 4 iterations. iteration 643: trace = 2.578881666078096 (1.20865e-09% change) linmin: converged after 16 iterations. iteration 644: trace = 2.578881666054388 (9.19319e-10% change) linmin: converged after 10 iterations. iteration 645: trace = 2.578881666031477 (8.88409e-10% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881665998045 (1.29639e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665981172 (6.54282e-10% change) linmin: converged after 9 iterations. iteration 648: trace = 2.578881665954198 (1.04592e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881665913589 (1.57469e-09% change) linmin: converged after 7 iterations. iteration 650: trace = 2.578881665902702 (4.22154e-10% change) large trace change predicted (1.1464e-09%) linmin: converged after 6 iterations. iteration 651: trace = 2.578881665873137 (1.14642e-09% change) linmin: converged after 18 iterations. iteration 652: trace = 2.578881665839885 (1.28942e-09% change) linmin: converged after 15 iterations. iteration 653: trace = 2.578881665830862 (3.49881e-10% change) linmin: converged after 2 iterations. iteration 654: trace = 2.578881665817207 (5.29487e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665794501 (8.8047e-10% change) linmin: converged after 4 iterations. iteration 656: trace = 2.578881665787002 (2.90781e-10% change) large trace change predicted (7.61912e-10%) linmin: converged after 9 iterations. iteration 657: trace = 2.578881665767358 (7.61737e-10% change) linmin: converged after 3 iterations. iteration 658: trace = 2.578881665742176 (9.76438e-10% change) linmin: converged after 7 iterations. iteration 659: trace = 2.578881665722106 (7.78251e-10% change) linmin: converged after 10 iterations. iteration 660: trace = 2.578881665715547 (2.54343e-10% change) large trace change predicted (1.06009e-09%) linmin: converged after 10 iterations. iteration 661: trace = 2.57888166568821 (1.06003e-09% change) linmin: converged after 15 iterations. iteration 662: trace = 2.578881665671198 (6.59672e-10% change) linmin: converged after 5 iterations. iteration 663: trace = 2.578881665661258 (3.8544e-10% change) linmin: converged after 5 iterations. iteration 664: trace = 2.578881665642224 (7.38076e-10% change) linmin: converged after 6 iterations. iteration 665: trace = 2.578881665620788 (8.3122e-10% change) linmin: converged after 8 iterations. iteration 666: trace = 2.578881665613722 (2.73991e-10% change) large trace change predicted (8.01187e-10%) linmin: converged after 12 iterations. iteration 667: trace = 2.578881665593063 (8.01085e-10% change) linmin: converged after 9 iterations. iteration 668: trace = 2.578881665570797 (8.63388e-10% change) linmin: converged after 6 iterations. iteration 669: trace = 2.578881665562785 (3.1067e-10% change) large trace change predicted (6.48335e-10%) linmin: converged after 14 iterations. iteration 670: trace = 2.578881665546068 (6.48238e-10% change) linmin: converged after 2 iterations. iteration 671: trace = 2.578881665528613 (6.76841e-10% change) linmin: converged after 5 iterations. iteration 672: trace = 2.578881665523364 (2.03543e-10% change) large trace change predicted (5.97932e-10%) linmin: converged after 5 iterations. iteration 673: trace = 2.578881665507944 (5.97921e-10% change) linmin: converged after 9 iterations. iteration 674: trace = 2.578881665493631 (5.55025e-10% change) linmin: converged after 6 iterations. iteration 675: trace = 2.57888166548984 (1.47009e-10% change) large trace change predicted (3.77037e-10%) linmin: converged after 6 iterations. iteration 676: trace = 2.578881665480119 (3.76916e-10% change) linmin: converged after 5 iterations. iteration 677: trace = 2.578881665464972 (5.87365e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665461953 (1.1708e-10% change) large trace change predicted (6.74851e-10%) linmin: converged after 4 iterations. iteration 679: trace = 2.578881665444547 (6.74912e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665429346 (5.89466e-10% change) linmin: converged after 7 iterations. iteration 681: trace = 2.578881665423999 (2.07349e-10% change) large trace change predicted (5.60156e-10%) linmin: converged after 5 iterations. iteration 682: trace = 2.578881665409554 (5.60122e-10% change) linmin: converged after 3 iterations. iteration 683: trace = 2.578881665396096 (5.21824e-10% change) linmin: converged after 3 iterations. iteration 684: trace = 2.57888166539108 (1.94502e-10% change) large trace change predicted (6.56312e-10%) linmin: converged after 16 iterations. iteration 685: trace = 2.578881665374154 (6.56332e-10% change) linmin: converged after 7 iterations. iteration 686: trace = 2.578881665363821 (4.00697e-10% change) linmin: converged after 9 iterations. iteration 687: trace = 2.578881665358802 (1.94606e-10% change) large trace change predicted (4.55198e-10%) linmin: converged after 10 iterations. iteration 688: trace = 2.578881665347064 (4.55182e-10% change) linmin: converged after 4 iterations. iteration 689: trace = 2.578881665336897 (3.94223e-10% change) linmin: converged after 16 iterations. iteration 690: trace = 2.578881665333923 (1.15324e-10% change) large trace change predicted (3.39979e-10%) linmin: converged after 4 iterations. iteration 691: trace = 2.578881665325157 (3.3991e-10% change) linmin: converged after 4 iterations. iteration 692: trace = 2.578881665316311 (3.43027e-10% change) linmin: converged after 6 iterations. iteration 693: trace = 2.578881665313618 (1.04406e-10% change) large trace change predicted (2.96526e-10%) linmin: converged after 7 iterations. iteration 694: trace = 2.57888166530597 (2.96567e-10% change) linmin: converged after 6 iterations. iteration 695: trace = 2.578881665298785 (2.78606e-10% change) linmin: converged after 7 iterations. iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 68.19681811332703 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311410172535 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853103981993 (0.601528% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444441749315 (0.566464% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059546823127 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 7 iterations. iteration 5: trace = 2.697340830608071 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429760772978 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690564093613 (0.176043% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920542952841 (0.177502% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317568732568 (0.0597207% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110892691566 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993858887157 (0.0416873% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047331401911 (0.0726853% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749424417922 (0.0484945% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253258988021 (0.0185448% change) large trace change predicted (0.068996%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346651688732 (0.0668101% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597464826754 (0.0325118% change) large trace change predicted (0.0848744%) linmin: converged after 8 iterations. iteration 17: trace = 2.670556083231295 (0.0764111% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703646499506 (0.0319249% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900101656904 (0.0301032% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441533479629 (0.0171834% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894062344125 (0.0205186% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712188808791 (0.00681735% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380419114014 (0.0124373% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218855539889 (0.0060572% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847521292431 (0.0139231% change) linmin: converged after 3 iterations. iteration 26: trace = 2.6667143800038 (0.00499258% change) large trace change predicted (0.0115123%) linmin: converged after 4 iterations. iteration 27: trace = 2.66640781126585 (0.0114968% change) linmin: converged after 11 iterations. iteration 28: trace = 2.666220086697824 (0.0070406% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972895818446 (0.00927164% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665788972806222 (0.00689915% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603882228924 (0.00694342% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322188329073 (0.0105683% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175158192592 (0.00551656% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933715828463 (0.00905957% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826780090388 (0.00401278% change) large trace change predicted (0.00927276%) linmin: converged after 4 iterations. iteration 36: trace = 2.66457547825066 (0.00943077% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485881232104 (0.00336258% change) large trace change predicted (0.00824578%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263025652231 (0.00836427% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167506728726 (0.00358526% change) large trace change predicted (0.00963708%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907469075595 (0.00976104% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804843372543 (0.00385252% change) large trace change predicted (0.0104144%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525567935192 (0.0104846% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401433118001 (0.00466065% change) large trace change predicted (0.00944252%) linmin: converged after 4 iterations. iteration 44: trace = 2.663148934646257 (0.00948075% change) linmin: converged after 5 iterations. iteration 45: trace = 2.663044722878014 (0.00391318% change) large trace change predicted (0.00794065%) linmin: converged after 6 iterations. iteration 46: trace = 2.662833185848342 (0.00794374% change) linmin: converged after 7 iterations. iteration 47: trace = 2.662716651292053 (0.00437643% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492747508043 (0.0084092% change) linmin: converged after 4 iterations. iteration 49: trace = 2.662363037863714 (0.00487186% change) linmin: converged after 4 iterations. iteration 50: trace = 2.662194241317517 (0.0063403% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058110012701 (0.00511363% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879837579253 (0.00669701% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724274974738 (0.00584426% change) linmin: converged after 3 iterations. iteration 54: trace = 2.661571455766341 (0.00574153% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350484327378 (0.00830264% change) linmin: converged after 4 iterations. iteration 56: trace = 2.6611907399719 (0.00600256% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967561304287 (0.00838677% change) linmin: converged after 5 iterations. iteration 58: trace = 2.66084913615252 (0.00445055% change) large trace change predicted (0.00999701%) linmin: converged after 4 iterations. iteration 59: trace = 2.660585993234703 (0.00988992% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492776586203 (0.00350367% change) large trace change predicted (0.00837954%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271581660874 (0.0083144% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168609590275 (0.00387081% change) large trace change predicted (0.0102888%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896367675257 (0.0102345% change) linmin: converged after 3 iterations. iteration 64: trace = 2.659777297611458 (0.00447659% change) linmin: converged after 4 iterations. iteration 65: trace = 2.659570122497851 (0.00778949% change) linmin: converged after 4 iterations. iteration 66: trace = 2.659406458669784 (0.00615396% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264246045999 (0.00534768% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119260361261 (0.00545225% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023749085827 (0.0035919% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.65891569687871 (0.00406369% change) large trace change predicted (0.0163852%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478029559357 (0.0164617% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118864432807 (0.0135111% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882808808801 (0.00888095% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598191615639 (0.010709% change) linmin: converged after 3 iterations. iteration 75: trace = 2.65754141878134 (0.00213627% change) large trace change predicted (0.00463006%) linmin: converged after 3 iterations. iteration 76: trace = 2.6574181599615 (0.00463818% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346029134954 (0.00271436% change) linmin: converged after 4 iterations. iteration 78: trace = 2.657324623641427 (0.000805525% change) large trace change predicted (0.00211714%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268244732419 (0.00212166% change) linmin: converged after 4 iterations. iteration 80: trace = 2.657245571948162 (0.00085324% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219519060036 (0.000980452% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182540698972 (0.00139163% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167952997687 (0.000548993% change) large trace change predicted (0.00207297%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112818408914 (0.00207496% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657051996839505 (0.00228904% change) linmin: converged after 4 iterations. iteration 86: trace = 2.65701749848855 (0.00129838% change) large trace change predicted (0.00419276%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905828655492 (0.00420291% change) linmin: converged after 5 iterations. iteration 88: trace = 2.656840696939022 (0.00245144% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716135156853 (0.00468845% change) linmin: converged after 4 iterations. iteration 90: trace = 2.656564648783219 (0.00570218% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504293119446 (0.00227197% change) large trace change predicted (0.00808399%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289710721658 (0.00807795% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193398884594 (0.00362587% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063303563878 (0.00489793% change) linmin: converged after 4 iterations. iteration 95: trace = 2.65588978810328 (0.00653302% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839026062192 (0.00191132% change) large trace change predicted (0.00421328%) linmin: converged after 4 iterations. iteration 97: trace = 2.655727133042021 (0.00421318% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616063930675 (0.00418234% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571094945199 (0.00169337% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503705479084 (0.0025377% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488873170593 (0.000558551% change) large trace change predicted (0.00182285%) linmin: converged after 4 iterations. iteration 102: trace = 2.655440488909325 (0.00182206% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383123394544 (0.00216032% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357411136051 (0.000968312% change) large trace change predicted (0.00357609%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262405601 (0.00357795% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229505066107 (0.00123908% change) large trace change predicted (0.00270573%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157599236592 (0.00270812% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030881092197 (0.00477264% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980391165855 (0.00190169% change) large trace change predicted (0.00534938%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838247825655 (0.00535398% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712126604666 (0.00475073% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658435472756 (0.0020225% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566797648508 (0.00345202% change) linmin: converged after 5 iterations. iteration 114: trace = 2.654539465977521 (0.00102961% change) large trace change predicted (0.00383317%) linmin: converged after 3 iterations. iteration 115: trace = 2.654437740028257 (0.00383222% change) linmin: converged after 13 iterations. iteration 116: trace = 2.65436452799665 (0.00275814% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340158878017 (0.000918082% change) large trace change predicted (0.00275112%) linmin: converged after 4 iterations. iteration 118: trace = 2.654267180109325 (0.00274945% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255143822632 (0.00045347% change) large trace change predicted (0.00136357%) linmin: converged after 8 iterations. iteration 120: trace = 2.654218969640244 (0.00136288% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200850635746 (0.000682652% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193372526644 (0.000281747% change) large trace change predicted (0.000758505%) linmin: converged after 4 iterations. iteration 123: trace = 2.654173241575085 (0.000758461% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167273712889 (0.000224849% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157909158193 (0.000352825% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147418774747 (0.000395244% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143555327086 (0.000145563% change) large trace change predicted (0.000376651%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133558239182 (0.00037666% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120959872817 (0.000474671% change) linmin: converged after 21 iterations. iteration 130: trace = 2.654109179577582 (0.00044385% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085868645411 (0.0008783% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077836153245 (0.000302647% change) large trace change predicted (0.000990896%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051522513667 (0.000991447% change) linmin: converged after 3 iterations. iteration 134: trace = 2.654040114299677 (0.000429842% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033606051378 (0.000245221% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022205557455 (0.000429554% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018098603656 (0.000154745% change) large trace change predicted (0.000481156%) linmin: converged after 5 iterations. iteration 138: trace = 2.654005327795167 (0.000481189% change) linmin: converged after 3 iterations. iteration 139: trace = 2.653997021399157 (0.000312976% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995080608912 (7.31271e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.653992464817057 (9.85606e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.65399014967916 (8.72323e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988580944425 (5.91086e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.653985739809346 (0.000107052% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984641152611 (4.13965e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.653982736506997 (7.17655e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.653979596551558 (0.000118311% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979052575707 (2.04966e-05% change) large trace change predicted (9.46882e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976539466266 (9.46922e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975151881646 (5.22832e-05% change) linmin: converged after 5 iterations. iteration 151: trace = 2.653973691954598 (5.50091e-05% change) large trace change predicted (0.000111661%) linmin: converged after 3 iterations. iteration 152: trace = 2.653970728523313 (0.00011166% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968438090717 (8.63021e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966784561564 (6.2304e-05% change) large trace change predicted (0.000206075%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961315079321 (0.000206087% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959584120117 (6.52217e-05% change) large trace change predicted (0.000249312%) linmin: converged after 3 iterations. iteration 157: trace = 2.65395296754646 (0.00024931% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947560836003 (0.000203723% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944309648854 (0.000122504% change) large trace change predicted (0.000321213%) linmin: converged after 4 iterations. iteration 160: trace = 2.65393578269613 (0.000321294% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926965929053 (0.000332215% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925360915887 (6.04769e-05% change) large trace change predicted (0.000210665%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919769468554 (0.000210686% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917949358118 (6.8582e-05% change) linmin: converged after 8 iterations. iteration 165: trace = 2.653915873877871 (7.82044e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.653913454543818 (9.1161e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912730379727 (2.72867e-05% change) large trace change predicted (0.00010043%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910064827467 (0.000100439% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908234667604 (6.89609e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907652618004 (2.19318e-05% change) large trace change predicted (7.38625e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905692644661 (7.38524e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.653904098895143 (6.0053e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903597632391 (1.88878e-05% change) large trace change predicted (6.97881e-05%) linmin: converged after 5 iterations. iteration 174: trace = 2.653901745726903 (6.97805e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900307126863 (5.4207e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899658444773 (2.44426e-05% change) large trace change predicted (8.21584e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897478275626 (8.21497e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894782819264 (0.000101566% change) linmin: converged after 31 iterations. iteration 179: trace = 2.653893723787848 (3.99048e-05% change) large trace change predicted (0.000173279%) linmin: converged after 5 iterations. iteration 180: trace = 2.653889125017648 (0.000173284% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888300310475 (3.10754e-05% change) large trace change predicted (9.92876e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885665113354 (9.92958e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883597375262 (7.79136e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882449471755 (4.32537e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880512402468 (7.299e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029345772 (1.82019e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.653879271442776 (2.85583e-05% change) linmin: converged after 2 iterations. iteration 188: trace = 2.653878601734299 (2.52351e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.6538784001655 (7.59525e-06% change) large trace change predicted (1.88307e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877900427086 (1.88305e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877421558993 (1.80441e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.65387730987687 (4.20826e-06% change) large trace change predicted (1.21109e-05%) linmin: converged after 3 iterations. iteration 193: trace = 2.653876988472429 (1.21108e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876701439056 (1.08156e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.653876503410812 (7.46185e-06% change) large trace change predicted (1.82642e-05%) linmin: converged after 5 iterations. iteration 196: trace = 2.653876018717266 (1.82636e-05% change) linmin: converged after 11 iterations. iteration 197: trace = 2.653875743899023 (1.03554e-05% change) large trace change predicted (2.57543e-05%) linmin: converged after 4 iterations. iteration 198: trace = 2.653875060450527 (2.57528e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.653874147184598 (3.44126e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873614591419 (2.00685e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.6538729333311 (2.56704e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871895566034 (3.91038e-05% change) linmin: converged after 15 iterations. iteration 203: trace = 2.65387155607623 (1.27922e-05% change) large trace change predicted (3.29723e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870680971224 (3.29747e-05% change) linmin: converged after 21 iterations. iteration 205: trace = 2.653870122826004 (2.10314e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.653869969560776 (5.77516e-06% change) large trace change predicted (1.29054e-05%) linmin: converged after 3 iterations. iteration 207: trace = 2.653869627068521 (1.29054e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869358862778 (1.01062e-05% change) linmin: converged after 5 iterations. iteration 209: trace = 2.653869078066302 (1.05806e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868925079117 (5.76468e-06% change) linmin: converged after 10 iterations. iteration 211: trace = 2.65386885402022 (2.67756e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868738796709 (4.34172e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868657394825 (3.06729e-06% change) large trace change predicted (6.76972e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868477723293 (6.77017e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868237619988 (9.0473e-06% change) linmin: converged after 6 iterations. iteration 216: trace = 2.653868167286306 (2.65023e-06% change) large trace change predicted (1.06308e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.653867885147639 (1.06312e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.653867608071129 (1.04405e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.65386744165509 (6.2707e-06% change) large trace change predicted (1.45434e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867055690426 (1.45435e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866913835114 (5.34523e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.653866652758798 (9.83758e-06% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866355935795 (1.11845e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866272878552 (3.12967e-06% change) large trace change predicted (6.68331e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866095517378 (6.68312e-06% change) linmin: converged after 4 iterations. iteration 226: trace = 2.653865950140019 (5.47795e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.653865910912876 (1.47811e-06% change) large trace change predicted (5.24753e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.6538657716561 (5.24732e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865715078113 (2.13191e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.653865636506092 (2.96066e-06% change) linmin: converged after 28 iterations. iteration 231: trace = 2.653865564265992 (2.72207e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 2.653865464245028 (3.76888e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.653865437462328 (1.0092e-06% change) large trace change predicted (5.0147e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.653865304386845 (5.0144e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.65386519536098 (4.10819e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.653865111140421 (3.17351e-06% change) large trace change predicted (8.85399e-06%) linmin: converged after 5 iterations. iteration 237: trace = 2.653864876182085 (8.85344e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.653864810780303 (2.4644e-06% change) large trace change predicted (1.39121e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.65386444158312 (1.39117e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864092884526 (1.31393e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653863976297839 (4.39309e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.653863767119183 (7.88204e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863499038534 (1.01015e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.65386341956879 (2.99449e-06% change) large trace change predicted (8.43221e-06%) linmin: converged after 2 iterations. iteration 245: trace = 2.653863195775577 (8.43273e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863002305884 (7.29012e-06% change) linmin: converged after 3 iterations. iteration 247: trace = 2.653862939461485 (2.36803e-06% change) linmin: converged after 7 iterations. iteration 248: trace = 2.653862838047807 (3.82136e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.653862750547567 (3.29709e-06% change) linmin: converged after 9 iterations. iteration 250: trace = 2.653862731551472 (7.1579e-07% change) large trace change predicted (2.498e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.653862665259322 (2.49795e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862631829987 (1.25965e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.653862598619071 (1.25142e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.653862553637281 (1.69496e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862499020986 (2.05799e-06% change) linmin: converged after 2 iterations. iteration 256: trace = 2.653862476489225 (8.49018e-07% change) large trace change predicted (3.93247e-06%) linmin: converged after 5 iterations. iteration 257: trace = 2.653862372131893 (3.93228e-06% change) linmin: converged after 24 iterations. iteration 258: trace = 2.653862348759161 (8.80706e-07% change) large trace change predicted (4.30763e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.65386223444527 (4.30745e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.653862135935652 (3.71193e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.653862104064693 (1.20093e-06% change) large trace change predicted (3.53299e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.65386201030362 (3.533e-06% change) linmin: converged after 3 iterations. iteration 263: trace = 2.653861927898538 (3.1051e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.653861896369311 (1.18805e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861837885878 (2.20371e-06% change) linmin: converged after 2 iterations. iteration 266: trace = 2.653861792896794 (1.69523e-06% change) linmin: converged after 3 iterations. iteration 267: trace = 2.653861759420286 (1.26143e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861720311059 (1.47367e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.653861710725057 (3.6121e-07% change) large trace change predicted (9.52169e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.65386168545558 (9.52178e-07% change) linmin: converged after 5 iterations. iteration 271: trace = 2.653861666931449 (6.98007e-07% change) linmin: converged after 6 iterations. iteration 272: trace = 2.653861660748593 (2.32976e-07% change) linmin: converged after 4 iterations. iteration 273: trace = 2.653861650914114 (3.70572e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861639321258 (4.3683e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 2.653861636727051 (9.77522e-08% change) large trace change predicted (5.0528e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623317571 (5.05282e-07% change) linmin: converged after 3 iterations. iteration 277: trace = 2.653861615551344 (2.92639e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.653861610178305 (2.02461e-07% change) large trace change predicted (1.72368e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.653861564434906 (1.72365e-06% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.653861550375273 (5.2978e-07% change) linmin: converged after 18 iterations. iteration 281: trace = 2.653861533159478 (6.48707e-07% change) linmin: converged after 10 iterations. iteration 282: trace = 2.653861521115103 (4.53843e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 2.653861516953647 (1.56808e-07% change) large trace change predicted (3.19547e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.653861508473216 (3.19551e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 2.653861501935062 (2.46364e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.65386149731999 (1.739e-07% change) large trace change predicted (3.9222e-07%) linmin: converged after 3 iterations. iteration 287: trace = 2.653861486911017 (3.9222e-07% change) linmin: converged after 12 iterations. iteration 288: trace = 2.653861481122196 (2.18128e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.653861475156671 (2.24787e-07% change) large trace change predicted (5.66199e-07%) linmin: converged after 3 iterations. iteration 290: trace = 2.653861460130549 (5.66198e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 2.653861454278267 (2.20519e-07% change) large trace change predicted (6.21929e-07%) linmin: converged after 24 iterations. iteration 292: trace = 2.653861437772868 (6.21939e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861418071272 (7.42375e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.653861409006131 (3.41583e-07% change) large trace change predicted (9.24339e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384475761 (9.24327e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861360407902 (9.069e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 2.653861352155527 (3.10957e-07% change) large trace change predicted (1.24076e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.653861319227775 (1.24075e-06% change) linmin: converged after 13 iterations. iteration 299: trace = 2.65386130224904 (6.39775e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.653861282671801 (7.37689e-07% change) linmin: converged after 5 iterations. iteration 301: trace = 2.653861260636838 (8.30298e-07% change) linmin: converged after 11 iterations. iteration 302: trace = 2.653861251811262 (3.32556e-07% change) linmin: converged after 5 iterations. iteration 303: trace = 2.653861234499165 (6.52336e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.65386122012131 (5.41771e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.653861216396757 (1.40345e-07% change) large trace change predicted (3.07863e-07%) linmin: converged after 4 iterations. iteration 306: trace = 2.653861208226429 (3.07866e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861199165063 (3.41441e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.653861197442059 (6.49244e-08% change) large trace change predicted (3.45227e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188280197 (3.45228e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.653861179736291 (3.21942e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.653861173933652 (2.18649e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168434974 (2.07195e-07% change) large trace change predicted (4.92209e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.653861155372515 (4.92206e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150083162 (1.99308e-07% change) large trace change predicted (4.55581e-07%) linmin: converged after 8 iterations. iteration 315: trace = 2.653861137992869 (4.55574e-07% change) linmin: converged after 11 iterations. iteration 316: trace = 2.653861122355589 (5.89228e-07% change) linmin: converged after 18 iterations. iteration 317: trace = 2.653861117798604 (1.71712e-07% change) large trace change predicted (4.97835e-07%) linmin: converged after 10 iterations. iteration 318: trace = 2.653861104586823 (4.97832e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.653861092670461 (4.4902e-07% change) linmin: converged after 3 iterations. iteration 320: trace = 2.653861087498114 (1.94899e-07% change) large trace change predicted (6.37322e-07%) linmin: converged after 2 iterations. iteration 321: trace = 2.653861070584414 (6.37324e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.653861067551996 (1.14264e-07% change) large trace change predicted (2.31387e-07%) linmin: converged after 4 iterations. iteration 323: trace = 2.65386106141127 (2.31388e-07% change) linmin: converged after 3 iterations. iteration 324: trace = 2.653861056695451 (1.77697e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105544654 (4.70601e-08% change) large trace change predicted (1.198e-07%) linmin: converged after 7 iterations. iteration 326: trace = 2.653861052267201 (1.19801e-07% change) linmin: converged after 8 iterations. iteration 327: trace = 2.653861049784804 (9.35391e-08% change) linmin: converged after 6 iterations. iteration 328: trace = 2.653861048816704 (3.64789e-08% change) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047196903 (6.10356e-08% change) linmin: converged after 25 iterations. iteration 330: trace = 2.653861046134907 (4.0017e-08% change) linmin: converged after 6 iterations. iteration 331: trace = 2.653861044752584 (5.20872e-08% change) linmin: converged after 3 iterations. iteration 332: trace = 2.653861042721359 (7.65385e-08% change) linmin: converged after 30 iterations. iteration 333: trace = 2.653861042116108 (2.28064e-08% change) large trace change predicted (1.13853e-07%) linmin: converged after 2 iterations. iteration 334: trace = 2.653861039094593 (1.13854e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861036131572 (1.11649e-07% change) linmin: converged after 27 iterations. iteration 336: trace = 2.653861034242886 (7.11675e-08% change) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030716774 (1.32867e-07% change) linmin: converged after 22 iterations. iteration 338: trace = 2.653861026751165 (1.49428e-07% change) linmin: converged after 3 iterations. iteration 339: trace = 2.653861023211925 (1.33362e-07% change) linmin: converged after 3 iterations. iteration 340: trace = 2.653861021859958 (5.09434e-08% change) large trace change predicted (1.35994e-07%) linmin: converged after 4 iterations. iteration 341: trace = 2.653861018250889 (1.35993e-07% change) linmin: converged after 4 iterations. iteration 342: trace = 2.653861017185342 (4.01508e-08% change) large trace change predicted (8.60729e-08%) linmin: converged after 29 iterations. iteration 343: trace = 2.653861014901093 (8.60727e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861012009986 (1.0894e-07% change) linmin: converged after 32 iterations. iteration 345: trace = 2.653861011520676 (1.84377e-08% change) large trace change predicted (7.53211e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.65386100952177 (7.53207e-08% change) linmin: converged after 11 iterations. iteration 347: trace = 2.653861008483884 (3.91085e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861008068904 (1.56368e-08% change) large trace change predicted (4.68855e-08%) linmin: converged after 2 iterations. iteration 349: trace = 2.65386100682463 (4.68854e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861006025447 (3.0114e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.653861005676052 (1.31655e-08% change) large trace change predicted (2.95944e-08%) linmin: converged after 2 iterations. iteration 352: trace = 2.653861004890656 (2.95945e-08% change) linmin: converged after 6 iterations. iteration 353: trace = 2.653861003736128 (4.35037e-08% change) linmin: converged after 18 iterations. iteration 354: trace = 2.653861003287212 (1.69156e-08% change) large trace change predicted (6.13576e-08%) linmin: converged after 15 iterations. iteration 355: trace = 2.653861001658863 (6.13578e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.653861001224155 (1.63802e-08% change) large trace change predicted (6.75109e-08%) linmin: converged after 4 iterations. iteration 357: trace = 2.65386099943251 (6.75109e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653860997557949 (7.06353e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996942836 (2.31781e-08% change) large trace change predicted (7.98076e-08%) linmin: converged after 4 iterations. iteration 360: trace = 2.653860994824857 (7.98075e-08% change) linmin: converged after 4 iterations. iteration 361: trace = 2.653860993724631 (4.14575e-08% change) linmin: converged after 3 iterations. iteration 362: trace = 2.653860992369909 (5.10472e-08% change) linmin: converged after 4 iterations. iteration 363: trace = 2.653860990436661 (7.28466e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989954883 (1.81539e-08% change) large trace change predicted (4.99506e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860988629264 (4.99506e-08% change) linmin: converged after 2 iterations. iteration 366: trace = 2.653860987592098 (3.90814e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.653860987302343 (1.09183e-08% change) large trace change predicted (2.99052e-08%) linmin: converged after 4 iterations. iteration 368: trace = 2.653860986508704 (2.99051e-08% change) linmin: converged after 2 iterations. iteration 369: trace = 2.653860985777513 (2.7552e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985541496 (8.89336e-09% change) linmin: converged after 5 iterations. iteration 371: trace = 2.653860985182945 (1.35105e-08% change) linmin: converged after 9 iterations. iteration 372: trace = 2.653860984531133 (2.45609e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.653860984357667 (6.53637e-09% change) large trace change predicted (3.17096e-08%) linmin: converged after 4 iterations. iteration 374: trace = 2.653860983516143 (3.17094e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860982746636 (2.89958e-08% change) linmin: converged after 6 iterations. iteration 376: trace = 2.653860982367601 (1.42824e-08% change) large trace change predicted (5.63534e-08%) linmin: converged after 2 iterations. iteration 377: trace = 2.65386098087206 (5.63534e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.653860980325325 (2.06015e-08% change) large trace change predicted (7.91561e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978224627 (7.91563e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.65386097657802 (6.20457e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.653860974677374 (7.16182e-08% change) linmin: converged after 3 iterations. iteration 382: trace = 2.653860974248397 (1.61642e-08% change) large trace change predicted (5.56889e-08%) linmin: converged after 10 iterations. iteration 383: trace = 2.653860972770481 (5.56893e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860971403246 (5.15187e-08% change) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971106946 (1.11648e-08% change) large trace change predicted (4.60698e-08%) linmin: converged after 24 iterations. iteration 386: trace = 2.653860969884318 (4.60698e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.65386096918897 (2.62014e-08% change) linmin: converged after 15 iterations. iteration 388: trace = 2.65386096901819 (6.43513e-09% change) large trace change predicted (1.86457e-08%) linmin: converged after 18 iterations. iteration 389: trace = 2.653860968523357 (1.86458e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968158674 (1.37416e-08% change) linmin: converged after 35 iterations. iteration 391: trace = 2.653860967960512 (7.46696e-09% change) linmin: converged after 3 iterations. iteration 392: trace = 2.653860967648039 (1.17743e-08% change) linmin: converged after 18 iterations. iteration 393: trace = 2.653860967490427 (5.93898e-09% change) linmin: converged after 4 iterations. iteration 394: trace = 2.653860967241791 (9.36887e-09% change) linmin: converged after 2 iterations. iteration 395: trace = 2.653860966809531 (1.6288e-08% change) linmin: converged after 6 iterations. iteration 396: trace = 2.653860966706069 (3.89855e-09% change) large trace change predicted (2.54919e-08%) linmin: converged after 23 iterations. iteration 397: trace = 2.653860966029556 (2.54917e-08% change) linmin: converged after 6 iterations. iteration 398: trace = 2.653860965630015 (1.50551e-08% change) linmin: converged after 3 iterations. iteration 399: trace = 2.653860965304476 (1.22666e-08% change) large trace change predicted (2.54255e-08%) linmin: converged after 25 iterations. iteration 400: trace = 2.65386096462972 (2.54254e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964155916 (1.78534e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.653860963907952 (9.34351e-09% change) large trace change predicted (2.29606e-08%) linmin: converged after 6 iterations. iteration 403: trace = 2.653860963298608 (2.29606e-08% change) linmin: converged after 3 iterations. iteration 404: trace = 2.653860962880434 (1.57572e-08% change) linmin: converged after 26 iterations. iteration 405: trace = 2.653860962648136 (8.7532e-09% change) linmin: converged after 5 iterations. iteration 406: trace = 2.653860962335183 (1.17924e-08% change) linmin: converged after 24 iterations. iteration 407: trace = 2.653860962126452 (7.86516e-09% change) linmin: converged after 8 iterations. iteration 408: trace = 2.653860962024114 (3.85618e-09% change) linmin: converged after 2 iterations. iteration 409: trace = 2.653860961824432 (7.52421e-09% change) linmin: converged after 21 iterations. iteration 410: trace = 2.653860961752544 (2.70882e-09% change) linmin: converged after 7 iterations. iteration 411: trace = 2.653860961683975 (2.58373e-09% change) linmin: converged after 5 iterations. iteration 412: trace = 2.653860961592263 (3.45581e-09% change) linmin: converged after 10 iterations. iteration 413: trace = 2.653860961543851 (1.82422e-09% change) linmin: converged after 4 iterations. iteration 414: trace = 2.653860961479011 (2.4432e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961392956 (3.24266e-09% change) linmin: converged after 5 iterations. iteration 416: trace = 2.65386096131743 (2.84587e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961274856 (1.60424e-09% change) large trace change predicted (7.61443e-09%) linmin: converged after 19 iterations. iteration 418: trace = 2.653860961072778 (7.61449e-09% change) linmin: converged after 4 iterations. iteration 419: trace = 2.653860960828427 (9.20737e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.653860960647904 (6.80228e-09% change) linmin: converged after 19 iterations. iteration 421: trace = 2.653860960488238 (6.01639e-09% change) linmin: converged after 15 iterations. iteration 422: trace = 2.653860960457683 (1.15131e-09% change) linmin: converged after 4 iterations. iteration 423: trace = 2.653860960397895 (2.25288e-09% change) linmin: converged after 4 iterations. iteration 424: trace = 2.653860960331005 (2.52048e-09% change) linmin: converged after 19 iterations. iteration 425: trace = 2.653860960313058 (6.76259e-10% change) large trace change predicted (3.02963e-09%) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960232654 (3.02972e-09% change) linmin: converged after 18 iterations. iteration 427: trace = 2.653860960202634 (1.13116e-09% change) linmin: converged after 15 iterations. iteration 428: trace = 2.653860960151567 (1.92426e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960075439 (2.86859e-09% change) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960049703 (9.69752e-10% change) large trace change predicted (3.48318e-09%) linmin: converged after 2 iterations. iteration 431: trace = 2.653860959957266 (3.48312e-09% change) linmin: converged after 4 iterations. iteration 432: trace = 2.653860959834929 (4.60977e-09% change) linmin: converged after 21 iterations. iteration 433: trace = 2.653860959792721 (1.59042e-09% change) large trace change predicted (5.51401e-09%) linmin: converged after 3 iterations. iteration 434: trace = 2.65386095964639 (5.51391e-09% change) linmin: converged after 9 iterations. iteration 435: trace = 2.653860959509967 (5.14053e-09% change) linmin: converged after 8 iterations. iteration 436: trace = 2.653860959455933 (2.03606e-09% change) large trace change predicted (6.5289e-09%) linmin: converged after 9 iterations. iteration 437: trace = 2.653860959282671 (6.5287e-09% change) linmin: converged after 24 iterations. iteration 438: trace = 2.65386095908555 (7.42767e-09% change) linmin: converged after 4 iterations. iteration 439: trace = 2.653860959040805 (1.68604e-09% change) large trace change predicted (8.09764e-09%) linmin: converged after 3 iterations. iteration 440: trace = 2.653860958825907 (8.09759e-09% change) linmin: converged after 10 iterations. iteration 441: trace = 2.653860958707799 (4.4504e-09% change) linmin: converged after 16 iterations. iteration 442: trace = 2.653860958660138 (1.79593e-09% change) large trace change predicted (5.15645e-09%) linmin: converged after 4 iterations. iteration 443: trace = 2.653860958523291 (5.15652e-09% change) linmin: converged after 13 iterations. iteration 444: trace = 2.653860958429302 (3.54157e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958410826 (6.96206e-10% change) large trace change predicted (2.13082e-09%) linmin: converged after 12 iterations. iteration 446: trace = 2.653860958354281 (2.13069e-09% change) linmin: converged after 12 iterations. iteration 447: trace = 2.653860958306856 (1.78701e-09% change) linmin: converged after 16 iterations. iteration 448: trace = 2.653860958291415 (5.81831e-10% change) large trace change predicted (2.31693e-09%) linmin: converged after 14 iterations. iteration 449: trace = 2.653860958229925 (2.31702e-09% change) linmin: converged after 9 iterations. iteration 450: trace = 2.653860958176105 (2.02796e-09% change) linmin: converged after 15 iterations. iteration 451: trace = 2.653860958134957 (1.55051e-09% change) linmin: converged after 13 iterations. iteration 452: trace = 2.653860958103313 (1.19238e-09% change) large trace change predicted (3.16997e-09%) linmin: converged after 3 iterations. iteration 453: trace = 2.653860958019188 (3.1699e-09% change) linmin: converged after 16 iterations. iteration 454: trace = 2.653860957973268 (1.73033e-09% change) linmin: converged after 13 iterations. iteration 455: trace = 2.653860957912659 (2.28378e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.653860957802967 (4.13333e-09% change) linmin: converged after 21 iterations. iteration 457: trace = 2.653860957776588 (9.93982e-10% change) large trace change predicted (2.49512e-09%) linmin: converged after 2 iterations. iteration 458: trace = 2.65386095771037 (2.49516e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.653860957609381 (3.80536e-09% change) linmin: converged after 6 iterations. iteration 460: trace = 2.653860957587652 (8.18763e-10% change) large trace change predicted (3.53265e-09%) linmin: converged after 9 iterations. iteration 461: trace = 2.653860957493902 (3.53257e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957453567 (1.51989e-09% change) linmin: converged after 4 iterations. iteration 463: trace = 2.653860957425482 (1.05826e-09% change) linmin: converged after 8 iterations. iteration 464: trace = 2.653860957392035 (1.26032e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.653860957373471 (6.99502e-10% change) linmin: converged after 3 iterations. iteration 466: trace = 2.653860957355178 (6.89295e-10% change) linmin: converged after 6 iterations. iteration 467: trace = 2.653860957335606 (7.37488e-10% change) linmin: converged after 6 iterations. iteration 468: trace = 2.653860957330625 (1.87702e-10% change) large trace change predicted (5.11928e-10%) linmin: converged after 12 iterations. iteration 469: trace = 2.65386095731704 (5.11901e-10% change) linmin: converged after 3 iterations. iteration 470: trace = 2.653860957302546 (5.46121e-10% change) linmin: converged after 13 iterations. iteration 471: trace = 2.653860957299613 (1.10543e-10% change) large trace change predicted (6.33462e-10%) linmin: converged after 6 iterations. iteration 472: trace = 2.6538609572828 (6.33521e-10% change) linmin: converged after 7 iterations. iteration 473: trace = 2.653860957267194 (5.88039e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.653860957254259 (4.87403e-10% change) linmin: converged after 3 iterations. iteration 475: trace = 2.653860957244893 (3.52947e-10% change) large trace change predicted (8.70554e-10%) linmin: converged after 3 iterations. iteration 476: trace = 2.653860957221787 (8.70638e-10% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957203586 (6.85848e-10% change) linmin: converged after 12 iterations. iteration 478: trace = 2.653860957193507 (3.79771e-10% change) large trace change predicted (1.15727e-09%) linmin: converged after 7 iterations. iteration 479: trace = 2.653860957162796 (1.15722e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.653860957152354 (3.93476e-10% change) large trace change predicted (7.91997e-10%) linmin: converged after 2 iterations. iteration 481: trace = 2.653860957131337 (7.91939e-10% change) linmin: converged after 12 iterations. iteration 482: trace = 2.653860957105225 (9.83925e-10% change) linmin: converged after 15 iterations. iteration 483: trace = 2.653860957096376 (3.33436e-10% change) large trace change predicted (7.68681e-10%) linmin: converged after 4 iterations. iteration 484: trace = 2.653860957075975 (7.68713e-10% change) linmin: converged after 7 iterations. iteration 485: trace = 2.653860957061548 (5.43628e-10% change) linmin: converged after 4 iterations. iteration 486: trace = 2.653860957054837 (2.52863e-10% change) linmin: converged after 3 iterations. iteration 487: trace = 2.653860957047202 (2.87719e-10% change) linmin: converged after 3 iterations. iteration 488: trace = 2.653860957042094 (1.92454e-10% change) linmin: converged after 3 iterations. iteration 489: trace = 2.653860957037943 (1.5641e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.65386095703434 (1.35794e-10% change) linmin: converged after 6 iterations. iteration 491: trace = 2.653860957030801 (1.33351e-10% change) linmin: converged after 3 iterations. iteration 492: trace = 2.653860957025126 (2.1384e-10% change) linmin: converged after 3 iterations. iteration 493: trace = 2.65386095702037 (1.79218e-10% change) linmin: converged after 9 iterations. iteration 494: trace = 2.653860957012349 (3.02211e-10% change) linmin: converged after 3 iterations. iteration 495: trace = 2.653860957000387 (4.50739e-10% change) linmin: converged after 3 iterations. iteration 496: trace = 2.65386095699586 (1.706e-10% change) large trace change predicted (5.37929e-10%) linmin: converged after 4 iterations. iteration 497: trace = 2.653860956981582 (5.38005e-10% change) linmin: converged after 9 iterations. iteration 498: trace = 2.65386095696949 (4.55642e-10% change) linmin: converged after 9 iterations. iteration 499: trace = 2.653860956964063 (2.04503e-10% change) large trace change predicted (5.82409e-10%) linmin: converged after 3 iterations. iteration 500: trace = 2.653860956948609 (5.82316e-10% change) linmin: converged after 2 iterations. iteration 501: trace = 2.653860956942851 (2.16952e-10% change) linmin: converged after 3 iterations. iteration 502: trace = 2.653860956932339 (3.96103e-10% change) linmin: converged after 2 iterations. iteration 503: trace = 2.653860956920813 (4.34323e-10% change) linmin: converged after 3 iterations. iteration 504: trace = 2.653860956917655 (1.18977e-10% change) large trace change predicted (3.26651e-10%) linmin: converged after 2 iterations. iteration 505: trace = 2.653860956908983 (3.26792e-10% change) linmin: converged after 3 iterations. iteration 506: trace = 2.653860956902382 (2.48713e-10% change) linmin: converged after 5 iterations. iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 44.17159605026245 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767192045163025 (3.67887% change) linmin: converged after 12 iterations. iteration 2: trace = 2.669057380357486 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626109110742 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397560818022 (0.547987% change) linmin: converged after 5 iterations. iteration 5: trace = 2.564425789247123 (0.969058% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271003184409 (0.0840614% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519452644537 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.5533812062184 (0.161938% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758159301232 (0.0635848% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676145701263 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042257271972 (0.0641279% change) linmin: converged after 5 iterations. iteration 12: trace = 2.545109407132459 (0.0759149% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744874672027 (0.0536283% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493569722713 (0.00987982% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654865255261 (0.0329799% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233437169567 (0.0165757% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989490215497 (0.00959623% change) large trace change predicted (0.0296917%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222886559927 (0.0301622% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916754194661 (0.0120474% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420138084658 (0.0195467% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069646846972 (0.0137975% change) linmin: converged after 4 iterations. iteration 22: trace = 2.53991319211357 (0.00615966% change) large trace change predicted (0.0132667%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574241822349 (0.0133458% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320168380693 (0.0100051% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190156451761 (0.00512008% change) large trace change predicted (0.0109149%) linmin: converged after 3 iterations. iteration 26: trace = 2.538912105880391 (0.010951% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826558903819 (0.00336949% change) large trace change predicted (0.00728293%) linmin: converged after 5 iterations. iteration 28: trace = 2.538640922020423 (0.00731218% change) linmin: converged after 4 iterations. iteration 29: trace = 2.538416115055694 (0.0088558% change) linmin: converged after 5 iterations. iteration 30: trace = 2.538329681714421 (0.00340507% change) large trace change predicted (0.0126404%) linmin: converged after 4 iterations. iteration 31: trace = 2.538007652449731 (0.0126875% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917254792359 (0.00356182% change) large trace change predicted (0.0118588%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615514542672 (0.01189% change) linmin: converged after 3 iterations. iteration 34: trace = 2.53744664420911 (0.00665491% change) linmin: converged after 4 iterations. iteration 35: trace = 2.537337487891875 (0.00430191% change) large trace change predicted (0.0106116%) linmin: converged after 6 iterations. iteration 36: trace = 2.537068033653169 (0.0106201% change) linmin: converged after 3 iterations. iteration 37: trace = 2.53699943464511 (0.00270391% change) large trace change predicted (0.0111009%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717394141688 (0.0111177% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633734665125 (0.003298% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477822463409 (0.00614661% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329218818773 (0.00585883% change) linmin: converged after 3 iterations. iteration 42: trace = 2.53615020102548 (0.00705839% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989255703162 (0.00634625% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865706424353 (0.00487196% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703192587326 (0.00640882% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652227616092 (0.00200992% change) large trace change predicted (0.00754028%) linmin: converged after 3 iterations. iteration 47: trace = 2.53546107910786 (0.00753872% change) linmin: converged after 3 iterations. iteration 48: trace = 2.535421748870608 (0.00155122% change) large trace change predicted (0.00506183%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293468493803 (0.00505966% change) linmin: converged after 4 iterations. iteration 50: trace = 2.535212823182918 (0.00318096% change) linmin: converged after 9 iterations. iteration 51: trace = 2.535125064719677 (0.00346164% change) linmin: converged after 4 iterations. iteration 52: trace = 2.5349509031445 (0.00687018% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873114315107 (0.0030687% change) large trace change predicted (0.00863851%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655262783688 (0.00859455% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598374640847 (0.00224444% change) large trace change predicted (0.00574966%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453143671912 (0.0057301% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390112619761 (0.002487% change) linmin: converged after 5 iterations. iteration 58: trace = 2.534330756155766 (0.00234207% change) linmin: converged after 4 iterations. iteration 59: trace = 2.534233966213133 (0.00381922% change) linmin: converged after 3 iterations. iteration 60: trace = 2.534207675681939 (0.00103742% change) large trace change predicted (0.0030975%) linmin: converged after 6 iterations. iteration 61: trace = 2.534129221285733 (0.00309586% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095670360006 (0.00132397% change) large trace change predicted (0.00285535%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023378172555 (0.00285282% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533958013125194 (0.00257953% change) linmin: converged after 3 iterations. iteration 65: trace = 2.533883392389698 (0.00294487% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772608404004 (0.0043722% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730667933859 (0.00165527% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365915475089 (0.00282249% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617380418967 (0.00164879% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588522803026 (0.001139% change) linmin: converged after 5 iterations. iteration 71: trace = 2.533564665548087 (0.000941643% change) linmin: converged after 6 iterations. iteration 72: trace = 2.533539618364233 (0.000988619% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522906468145 (0.000659629% change) large trace change predicted (0.00183841%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476249005274 (0.00184162% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464174381763 (0.000476604% change) large trace change predicted (0.00275226%) linmin: converged after 5 iterations. iteration 76: trace = 2.533394202119549 (0.00276196% change) linmin: converged after 10 iterations. iteration 77: trace = 2.533360209152475 (0.0013418% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332274267103 (0.00110269% change) large trace change predicted (0.00246268%) linmin: converged after 4 iterations. iteration 79: trace = 2.533269609255164 (0.00247365% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217623027478 (0.00205216% change) linmin: converged after 4 iterations. iteration 81: trace = 2.533191364656076 (0.00103657% change) large trace change predicted (0.00237285%) linmin: converged after 6 iterations. iteration 82: trace = 2.533131006388617 (0.00238273% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533113008962917 (0.000710484% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088875728426 (0.000952715% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060210964731 (0.00113162% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052336070403 (0.000310885% change) large trace change predicted (0.000754712%) linmin: converged after 3 iterations. iteration 87: trace = 2.53303320837675 (0.000755127% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014413116766 (0.000742009% change) linmin: converged after 4 iterations. iteration 89: trace = 2.53300139548469 (0.00051392% change) linmin: converged after 4 iterations. iteration 90: trace = 2.53297623352843 (0.00099337% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972382311616 (0.000152043% change) large trace change predicted (0.000749633%) linmin: converged after 6 iterations. iteration 92: trace = 2.532953408161689 (0.000749089% change) linmin: converged after 4 iterations. iteration 93: trace = 2.532934947778483 (0.000728811% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926920734985 (0.000316907% change) large trace change predicted (0.00178259%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881948782389 (0.00177551% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858314027711 (0.000933121% change) linmin: converged after 3 iterations. iteration 97: trace = 2.532819821785889 (0.00151973% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786169467268 (0.00132866% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774323054985 (0.000467724% change) large trace change predicted (0.00101699%) linmin: converged after 5 iterations. iteration 100: trace = 2.532748610017113 (0.00101522% change) linmin: converged after 10 iterations. iteration 101: trace = 2.532735591407811 (0.000514012% change) linmin: converged after 6 iterations. iteration 102: trace = 2.53272596494108 (0.000380083% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712960913022 (0.000513441% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704595744002 (0.000330285% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697442671518 (0.000282429% change) large trace change predicted (0.000634618%) linmin: converged after 3 iterations. iteration 106: trace = 2.532681377273767 (0.000634322% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678264492637 (0.000122905% change) large trace change predicted (0.000365881%) linmin: converged after 3 iterations. iteration 108: trace = 2.53266899969015 (0.000365811% change) linmin: converged after 3 iterations. iteration 109: trace = 2.53266259492811 (0.000252886% change) linmin: converged after 7 iterations. iteration 110: trace = 2.532659614140498 (0.000117694% change) large trace change predicted (0.00048464%) linmin: converged after 4 iterations. iteration 111: trace = 2.532647336020611 (0.000484793% change) linmin: converged after 5 iterations. iteration 112: trace = 2.532643035903972 (0.000169788% change) large trace change predicted (0.00119129%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612846800416 (0.00119201% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592063234743 (0.000820641% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581469721721 (0.000418288% change) large trace change predicted (0.00102424%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555499922985 (0.00102543% change) linmin: converged after 6 iterations. iteration 117: trace = 2.532535056413251 (0.000807232% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524469432566 (0.00041804% change) large trace change predicted (0.000840288%) linmin: converged after 3 iterations. iteration 119: trace = 2.532503184848721 (0.000840453% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499366164758 (0.000150787% change) large trace change predicted (0.00042853%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488511531764 (0.000428614% change) linmin: converged after 4 iterations. iteration 122: trace = 2.532482095951782 (0.000253331% change) linmin: converged after 4 iterations. iteration 123: trace = 2.532479992867226 (8.30444e-05% change) large trace change predicted (0.000283731%) linmin: converged after 3 iterations. iteration 124: trace = 2.53247280384149 (0.000283873% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467484148865 (0.000210059% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465651311215 (7.23736e-05% change) large trace change predicted (0.000445416%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454353763157 (0.00044611% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452272749749 (8.21738e-05% change) large trace change predicted (0.000327514%) linmin: converged after 3 iterations. iteration 129: trace = 2.532443972834015 (0.000327743% change) linmin: converged after 4 iterations. iteration 130: trace = 2.532434385947424 (0.000378563% change) linmin: converged after 3 iterations. iteration 131: trace = 2.53243172126282 (0.000105222% change) large trace change predicted (0.00050799%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418839054643 (0.000508691% change) linmin: converged after 4 iterations. iteration 133: trace = 2.532413400841182 (0.000214744% change) large trace change predicted (0.000485106%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401111138083 (0.000485297% change) linmin: converged after 5 iterations. iteration 135: trace = 2.532386155966053 (0.000590555% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381543521632 (0.000182138% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372871851896 (0.000342432% change) linmin: converged after 3 iterations. iteration 138: trace = 2.532367991177046 (0.000192731% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366691649195 (5.13167e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.532365682102617 (3.98657e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.532363841843478 (7.26696e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361033830604 (0.000110885% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359827253318 (4.76463e-05% change) large trace change predicted (0.000180915%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355246384728 (0.000180893% change) linmin: converged after 3 iterations. iteration 145: trace = 2.532352431420141 (0.00011116% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349386068224 (0.000120258% change) linmin: converged after 3 iterations. iteration 147: trace = 2.532343690244271 (0.000224923% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342311997953 (5.44257e-05% change) large trace change predicted (0.000211673%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336953495586 (0.000211603% change) linmin: converged after 3 iterations. iteration 150: trace = 2.532333398748359 (0.000140374% change) linmin: converged after 3 iterations. iteration 151: trace = 2.53233206340305 (5.27318e-05% change) large trace change predicted (0.000151583%) linmin: converged after 4 iterations. iteration 152: trace = 2.532328227235385 (0.000151488% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325504192802 (0.000107531% change) linmin: converged after 9 iterations. iteration 154: trace = 2.532323601371002 (7.51413e-05% change) linmin: converged after 10 iterations. iteration 155: trace = 2.532320459830568 (0.000124058% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319680363335 (3.07808e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.532318510691772 (4.61897e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316950800764 (6.15993e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.532316545711181 (1.59968e-05% change) large trace change predicted (5.19803e-05%) linmin: converged after 4 iterations. iteration 160: trace = 2.532315229303383 (5.19843e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.532314312430767 (3.62069e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.532313519350129 (3.13184e-05% change) large trace change predicted (8.52185e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311361450239 (8.52146e-05% change) linmin: converged after 8 iterations. iteration 164: trace = 2.532309906699845 (5.74475e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308444593908 (5.7738e-05% change) large trace change predicted (0.000170452%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304127446988 (0.000170483% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303102007244 (4.04943e-05% change) large trace change predicted (0.000115221%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300183750544 (0.000115241% change) linmin: converged after 4 iterations. iteration 169: trace = 2.532297899414583 (9.0208e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297160907362 (2.91635e-05% change) large trace change predicted (6.51906e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295510443508 (6.51766e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532292974814544 (0.000100132% change) linmin: converged after 4 iterations. iteration 173: trace = 2.532292310079173 (2.62503e-05% change) large trace change predicted (8.53907e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.532290147413309 (8.54035e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289313308759 (3.29387e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.532288395005148 (3.62638e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287611764696 (3.09301e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287300796842 (1.22801e-05% change) large trace change predicted (3.85796e-05%) linmin: converged after 4 iterations. iteration 179: trace = 2.532286323773537 (3.85826e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.532284993557319 (5.25303e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284483095969 (2.01581e-05% change) large trace change predicted (0.000118579%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281477154776 (0.000118705% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532278647823394 (0.000111731% change) linmin: converged after 4 iterations. iteration 184: trace = 2.532277674018113 (3.84557e-05% change) large trace change predicted (0.000116096%) linmin: converged after 5 iterations. iteration 185: trace = 2.532274728164526 (0.000116332% change) linmin: converged after 4 iterations. iteration 186: trace = 2.53227327613244 (5.7341e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.532271512129673 (6.96609e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532268544221009 (0.000117203% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532267980604649 (2.22574e-05% change) large trace change predicted (0.000102166%) linmin: converged after 3 iterations. iteration 190: trace = 2.532265393040538 (0.000102184% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264296108059 (4.33182e-05% change) linmin: converged after 4 iterations. iteration 192: trace = 2.532263413125831 (3.48693e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262357948994 (4.16693e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532261780449685 (2.28057e-05% change) linmin: converged after 6 iterations. iteration 195: trace = 2.532260921097122 (3.39362e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.532259374117901 (6.10908e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.532259063480756 (1.22672e-05% change) large trace change predicted (5.51749e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.532257666917385 (5.51509e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.532256854302601 (3.20905e-05% change) linmin: converged after 8 iterations. iteration 200: trace = 2.532256077019117 (3.06953e-05% change) large trace change predicted (6.61116e-05%) linmin: converged after 10 iterations. iteration 201: trace = 2.532254404190157 (6.60608e-05% change) linmin: converged after 8 iterations. iteration 202: trace = 2.532253700674978 (2.77822e-05% change) large trace change predicted (6.65527e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.53225201639963 (6.65129e-05% change) linmin: converged after 5 iterations. iteration 204: trace = 2.532249373106495 (0.000104385% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532248947067088 (1.68245e-05% change) large trace change predicted (6.09808e-05%) linmin: converged after 5 iterations. iteration 206: trace = 2.532247404156568 (6.09305e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532246626059952 (3.07275e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246396263067 (9.07482e-06% change) large trace change predicted (4.58302e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.532245235961194 (4.58211e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.532245059590031 (6.96501e-06% change) large trace change predicted (1.75892e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244614143417 (1.7591e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244332059582 (1.11397e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.532243961673777 (1.46268e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243393266938 (2.24468e-05% change) linmin: converged after 6 iterations. iteration 215: trace = 2.532243012965021 (1.50184e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.532242407793118 (2.38987e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532241470456622 (3.70161e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.532241258807642 (8.35817e-06% change) large trace change predicted (3.25093e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.532240435246127 (3.2523e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532239921315042 (2.02955e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239613290589 (1.21641e-05% change) large trace change predicted (2.80455e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.532238902788354 (2.80583e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238422859413 (1.89528e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.532238105502279 (1.25327e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237512758263 (2.34079e-05% change) linmin: converged after 9 iterations. iteration 226: trace = 2.532237422475582 (3.56533e-06% change) large trace change predicted (1.22361e-05%) linmin: converged after 2 iterations. iteration 227: trace = 2.532237112625669 (1.22362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532236922691033 (7.50067e-06% change) linmin: converged after 5 iterations. iteration 229: trace = 2.53223683133392 (3.60776e-06% change) large trace change predicted (1.4599e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.5322364616746 (1.45981e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.532236386820632 (2.95604e-06% change) large trace change predicted (1.50446e-05%) linmin: converged after 4 iterations. iteration 232: trace = 2.532236005902005 (1.50428e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.532235567443446 (1.73151e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.532235324936102 (9.57681e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.532235061093175 (1.04194e-05% change) large trace change predicted (2.33799e-05%) linmin: converged after 9 iterations. iteration 236: trace = 2.532234469416107 (2.33658e-05% change) linmin: converged after 6 iterations. iteration 237: trace = 2.532234292981712 (6.96754e-06% change) large trace change predicted (1.92204e-05%) linmin: converged after 7 iterations. iteration 238: trace = 2.532233806503822 (1.92114e-05% change) linmin: converged after 13 iterations. iteration 239: trace = 2.532233567780011 (9.4274e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233518761116 (1.9358e-06% change) large trace change predicted (7.97524e-06%) linmin: converged after 4 iterations. iteration 241: trace = 2.532233316834005 (7.97427e-06% change) linmin: converged after 8 iterations. iteration 242: trace = 2.53223322602904 (3.58596e-06% change) linmin: converged after 6 iterations. iteration 243: trace = 2.532233139352723 (3.42292e-06% change) linmin: converged after 4 iterations. iteration 244: trace = 2.532232981391485 (6.23802e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.532232941782683 (1.56418e-06% change) large trace change predicted (5.80942e-06%) linmin: converged after 8 iterations. iteration 246: trace = 2.532232794675251 (5.8094e-06% change) linmin: converged after 2 iterations. iteration 247: trace = 2.532232655634834 (5.49082e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.53223260224804 (2.10829e-06% change) large trace change predicted (4.67847e-06%) linmin: converged after 4 iterations. iteration 249: trace = 2.532232483784177 (4.67824e-06% change) linmin: converged after 5 iterations. iteration 250: trace = 2.532232362957225 (4.77156e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.532232303957449 (2.32995e-06% change) large trace change predicted (1.13682e-05%) linmin: converged after 5 iterations. iteration 252: trace = 2.5322320160995 (1.13678e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.532231912547643 (4.08935e-06% change) large trace change predicted (1.08339e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231638229019 (1.08331e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.532231403565604 (9.26706e-06% change) linmin: converged after 21 iterations. iteration 256: trace = 2.532231277094745 (4.99444e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.532231194338745 (3.26811e-06% change) linmin: converged after 13 iterations. iteration 258: trace = 2.532231046316252 (5.84554e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 2.532231016811047 (1.16519e-06% change) large trace change predicted (3.74982e-06%) linmin: converged after 4 iterations. iteration 260: trace = 2.532230921855036 (3.7499e-06% change) linmin: converged after 23 iterations. iteration 261: trace = 2.532230862689733 (2.33649e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.53223083873709 (9.45911e-07% change) large trace change predicted (3.12221e-06%) linmin: converged after 23 iterations. iteration 263: trace = 2.532230759671736 (3.12236e-06% change) linmin: converged after 15 iterations. iteration 264: trace = 2.532230696501678 (2.49464e-06% change) linmin: converged after 7 iterations. iteration 265: trace = 2.532230652826942 (1.72475e-06% change) large trace change predicted (5.88601e-06%) linmin: converged after 4 iterations. iteration 266: trace = 2.532230503763672 (5.88664e-06% change) linmin: converged after 5 iterations. iteration 267: trace = 2.532230416800177 (3.43426e-06% change) linmin: converged after 6 iterations. iteration 268: trace = 2.532230282776104 (5.29273e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.532230176448649 (4.19896e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230129390047 (1.85839e-06% change) large trace change predicted (5.01005e-06%) linmin: converged after 2 iterations. iteration 271: trace = 2.532230002519866 (5.01022e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.532229868163668 (5.30585e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229779225418 (3.51225e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.532229649583122 (5.11969e-06% change) linmin: converged after 11 iterations. iteration 275: trace = 2.532229621422921 (1.11207e-06% change) large trace change predicted (4.14646e-06%) linmin: converged after 9 iterations. iteration 276: trace = 2.532229516420666 (4.14663e-06% change) linmin: converged after 13 iterations. iteration 277: trace = 2.53222945506614 (2.42294e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.53222943390973 (8.35485e-07% change) large trace change predicted (2.24224e-06%) linmin: converged after 4 iterations. iteration 279: trace = 2.532229377130915 (2.24225e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.532229338167026 (1.53872e-06% change) linmin: converged after 16 iterations. iteration 281: trace = 2.532229324037591 (5.57984e-07% change) large trace change predicted (1.92946e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229275178154 (1.9295e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229224933658 (1.9842e-06% change) linmin: converged after 27 iterations. iteration 284: trace = 2.532229195756853 (1.15222e-06% change) large trace change predicted (3.43235e-06%) linmin: converged after 8 iterations. iteration 285: trace = 2.532229108837616 (3.43252e-06% change) linmin: converged after 8 iterations. iteration 286: trace = 2.532229070906173 (1.49795e-06% change) linmin: converged after 15 iterations. iteration 287: trace = 2.532229005434425 (2.58554e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.532228912261696 (3.67947e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228878857018 (1.31918e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.532228814352874 (2.54733e-06% change) linmin: converged after 11 iterations. iteration 291: trace = 2.532228759006485 (2.18568e-06% change) linmin: converged after 4 iterations. iteration 292: trace = 2.5322287287148 (1.19625e-06% change) large trace change predicted (2.94799e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228654071961 (2.94771e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228630826729 (9.17975e-07% change) large trace change predicted (2.12091e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.532228577125554 (2.12071e-06% change) linmin: converged after 10 iterations. iteration 296: trace = 2.532228551953613 (9.94063e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228539632578 (4.86569e-07% change) large trace change predicted (1.10488e-06%) linmin: converged after 4 iterations. iteration 298: trace = 2.532228511654962 (1.10486e-06% change) linmin: converged after 7 iterations. iteration 299: trace = 2.532228480410223 (1.23388e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.532228471096156 (3.67821e-07% change) large trace change predicted (1.74133e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.532228427004013 (1.74124e-06% change) linmin: converged after 7 iterations. iteration 302: trace = 2.532228385689038 (1.63157e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.532228360133651 (1.00921e-06% change) large trace change predicted (2.41428e-06%) linmin: converged after 7 iterations. iteration 304: trace = 2.532228299004506 (2.41405e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.532228261234704 (1.49156e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.53222820816014 (2.09596e-06% change) linmin: converged after 13 iterations. iteration 307: trace = 2.532228137110495 (2.80582e-06% change) linmin: converged after 6 iterations. iteration 308: trace = 2.532228114967864 (8.74433e-07% change) linmin: converged after 12 iterations. iteration 309: trace = 2.532228086783509 (1.11303e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.532228061682376 (9.91267e-07% change) linmin: converged after 18 iterations. iteration 311: trace = 2.532228031642422 (1.18631e-06% change) linmin: converged after 12 iterations. iteration 312: trace = 2.532228022868124 (3.46505e-07% change) large trace change predicted (1.6377e-06%) linmin: converged after 2 iterations. iteration 313: trace = 2.532227981397549 (1.63771e-06% change) linmin: converged after 7 iterations. iteration 314: trace = 2.532227972677866 (3.44348e-07% change) large trace change predicted (1.54265e-06%) linmin: converged after 9 iterations. iteration 315: trace = 2.532227933613569 (1.54268e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.532227901120616 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227888180187 (5.11029e-07% change) large trace change predicted (1.51822e-06%) linmin: converged after 10 iterations. iteration 318: trace = 2.532227849732482 (1.51834e-06% change) linmin: converged after 2 iterations. iteration 319: trace = 2.532227811599739 (1.5059e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227794595986 (6.71494e-07% change) large trace change predicted (2.84518e-06%) linmin: converged after 7 iterations. iteration 321: trace = 2.532227722540139 (2.84555e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.532227687567286 (1.38111e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.532227638964866 (1.91935e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.532227586592549 (2.06823e-06% change) linmin: converged after 12 iterations. iteration 325: trace = 2.53222757240693 (5.60203e-07% change) linmin: converged after 5 iterations. iteration 326: trace = 2.532227544172079 (1.11502e-06% change) linmin: converged after 2 iterations. iteration 327: trace = 2.532227512219513 (1.26184e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.532227505887205 (2.50069e-07% change) large trace change predicted (1.12493e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.53222747740137 (1.12493e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227469121269 (3.26989e-07% change) large trace change predicted (1.07819e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.532227441820332 (1.07814e-06% change) linmin: converged after 5 iterations. iteration 332: trace = 2.532227419392461 (8.85697e-07% change) linmin: converged after 5 iterations. iteration 333: trace = 2.532227407145195 (4.83656e-07% change) large trace change predicted (1.26341e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227375155252 (1.26331e-06% change) linmin: converged after 7 iterations. iteration 335: trace = 2.532227321498544 (2.11895e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.53222730016528 (8.4247e-07% change) large trace change predicted (2.31631e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.53222724152096 (2.31592e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.532227214136874 (1.08142e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.532227203806219 (4.07967e-07% change) large trace change predicted (1.28324e-06%) linmin: converged after 4 iterations. iteration 340: trace = 2.532227171313901 (1.28315e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.53222714214733 (1.15181e-06% change) linmin: converged after 11 iterations. iteration 342: trace = 2.532227132986993 (3.6175e-07% change) large trace change predicted (9.37405e-07%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227109250781 (9.37365e-07% change) linmin: converged after 10 iterations. iteration 344: trace = 2.53222710170186 (2.98114e-07% change) large trace change predicted (6.41566e-07%) linmin: converged after 5 iterations. iteration 345: trace = 2.53222708545657 (6.41542e-07% change) linmin: converged after 4 iterations. iteration 346: trace = 2.532227074749795 (4.2282e-07% change) linmin: converged after 25 iterations. iteration 347: trace = 2.532227070120145 (1.82829e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227061347484 (3.46441e-07% change) large trace change predicted (7.25133e-07%) linmin: converged after 10 iterations. iteration 349: trace = 2.532227042985584 (7.25129e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.532227032001265 (4.33781e-07% change) linmin: converged after 4 iterations. iteration 351: trace = 2.532227021355288 (4.2042e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227018528629 (1.11627e-07% change) large trace change predicted (3.55816e-07%) linmin: converged after 5 iterations. iteration 353: trace = 2.532227009518536 (3.55817e-07% change) linmin: converged after 3 iterations. iteration 354: trace = 2.532227000110098 (3.71548e-07% change) linmin: converged after 16 iterations. iteration 355: trace = 2.532226996894193 (1.26999e-07% change) large trace change predicted (6.59201e-07%) linmin: converged after 4 iterations. iteration 356: trace = 2.532226980201057 (6.59227e-07% change) linmin: converged after 12 iterations. iteration 357: trace = 2.532226970981009 (3.64108e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226956224377 (5.82753e-07% change) linmin: converged after 10 iterations. iteration 359: trace = 2.532226940921706 (6.04317e-07% change) linmin: converged after 32 iterations. iteration 360: trace = 2.532226934325832 (2.60477e-07% change) large trace change predicted (5.71701e-07%) linmin: converged after 5 iterations. iteration 361: trace = 2.532226919848491 (5.71724e-07% change) linmin: converged after 6 iterations. iteration 362: trace = 2.532226899529127 (8.02431e-07% change) linmin: converged after 16 iterations. iteration 363: trace = 2.532226894115271 (2.13798e-07% change) large trace change predicted (6.38737e-07%) linmin: converged after 5 iterations. iteration 364: trace = 2.532226877940186 (6.38769e-07% change) linmin: converged after 5 iterations. iteration 365: trace = 2.532226862932139 (5.92682e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226859516136 (1.34901e-07% change) large trace change predicted (2.92625e-07%) linmin: converged after 14 iterations. iteration 367: trace = 2.532226852106154 (2.92627e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.532226845206031 (2.72492e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226842625343 (1.01914e-07% change) large trace change predicted (3.14336e-07%) linmin: converged after 4 iterations. iteration 370: trace = 2.532226834665654 (3.14336e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683284111 (7.20529e-08% change) large trace change predicted (2.86443e-07%) linmin: converged after 8 iterations. iteration 372: trace = 2.532226825587834 (2.86439e-07% change) linmin: converged after 11 iterations. iteration 373: trace = 2.532226819859058 (2.26235e-07% change) linmin: converged after 5 iterations. iteration 374: trace = 2.532226817278717 (1.019e-07% change) large trace change predicted (2.88992e-07%) linmin: converged after 6 iterations. iteration 375: trace = 2.532226809961338 (2.8897e-07% change) linmin: converged after 6 iterations. iteration 376: trace = 2.53222679694146 (5.14167e-07% change) linmin: converged after 19 iterations. iteration 377: trace = 2.532226794085944 (1.12767e-07% change) large trace change predicted (4.27732e-07%) linmin: converged after 6 iterations. iteration 378: trace = 2.532226783255718 (4.27696e-07% change) linmin: converged after 5 iterations. iteration 379: trace = 2.532226775828084 (2.93324e-07% change) linmin: converged after 6 iterations. iteration 380: trace = 2.532226773880708 (7.69037e-08% change) large trace change predicted (2.20078e-07%) linmin: converged after 6 iterations. iteration 381: trace = 2.532226768308129 (2.20066e-07% change) linmin: converged after 5 iterations. iteration 382: trace = 2.532226763443181 (1.92121e-07% change) linmin: converged after 5 iterations. iteration 383: trace = 2.532226761972826 (5.80657e-08% change) large trace change predicted (2.03208e-07%) linmin: converged after 11 iterations. iteration 384: trace = 2.532226756827222 (2.03205e-07% change) linmin: converged after 11 iterations. iteration 385: trace = 2.532226754726477 (8.29604e-08% change) linmin: converged after 6 iterations. iteration 386: trace = 2.532226751171404 (1.40393e-07% change) linmin: converged after 7 iterations. iteration 387: trace = 2.532226747795115 (1.33333e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226746356977 (5.67934e-08% change) linmin: converged after 9 iterations. iteration 389: trace = 2.532226743561327 (1.10403e-07% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226740212651 (1.32242e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226738455964 (6.93732e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.532226734979242 (1.37299e-07% change) linmin: converged after 14 iterations. iteration 393: trace = 2.532226728569906 (2.53111e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226726927974 (6.48414e-08% change) large trace change predicted (2.02333e-07%) linmin: converged after 21 iterations. iteration 395: trace = 2.532226721804354 (2.02337e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.532226717861316 (1.55714e-07% change) linmin: converged after 8 iterations. iteration 397: trace = 2.532226716535644 (5.2352e-08% change) large trace change predicted (1.60282e-07%) linmin: converged after 13 iterations. iteration 398: trace = 2.532226712476868 (1.60285e-07% change) linmin: converged after 16 iterations. iteration 399: trace = 2.532226711430153 (4.13358e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226709548159 (7.43217e-08% change) linmin: converged after 6 iterations. iteration 401: trace = 2.532226707623194 (7.60186e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.53222670718206 (1.74208e-08% change) large trace change predicted (7.92241e-08%) linmin: converged after 8 iterations. iteration 403: trace = 2.532226705175908 (7.92248e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.53222670431038 (3.41805e-08% change) linmin: converged after 12 iterations. iteration 405: trace = 2.532226702841314 (5.80148e-08% change) linmin: converged after 18 iterations. iteration 406: trace = 2.532226699971066 (1.13349e-07% change) linmin: converged after 5 iterations. iteration 407: trace = 2.532226697493734 (9.78321e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.532226695648335 (7.28766e-08% change) linmin: converged after 18 iterations. iteration 409: trace = 2.532226692201912 (1.36102e-07% change) linmin: converged after 19 iterations. iteration 410: trace = 2.53222668985198 (9.2801e-08% change) linmin: converged after 6 iterations. iteration 411: trace = 2.532226688485163 (5.39769e-08% change) large trace change predicted (1.39517e-07%) linmin: converged after 7 iterations. iteration 412: trace = 2.53222668495223 (1.39519e-07% change) linmin: converged after 4 iterations. iteration 413: trace = 2.532226684026071 (3.65749e-08% change) large trace change predicted (9.8508e-08%) linmin: converged after 13 iterations. iteration 414: trace = 2.532226681531623 (9.85081e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.532226679072552 (9.7111e-08% change) linmin: converged after 6 iterations. iteration 416: trace = 2.532226678266132 (3.18463e-08% change) large trace change predicted (7.32302e-08%) linmin: converged after 3 iterations. iteration 417: trace = 2.532226676411776 (7.32302e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.532226675930684 (1.89988e-08% change) linmin: converged after 5 iterations. iteration 419: trace = 2.532226675114865 (3.22175e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226674520886 (2.34568e-08% change) linmin: converged after 5 iterations. iteration 421: trace = 2.532226674207967 (1.23575e-08% change) large trace change predicted (5.96327e-08%) linmin: converged after 25 iterations. iteration 422: trace = 2.532226672697918 (5.96332e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.53222667203163 (2.63124e-08% change) large trace change predicted (6.96583e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.532226670267724 (6.96583e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226668480772 (7.05684e-08% change) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667866964 (2.42398e-08% change) large trace change predicted (8.3148e-08%) linmin: converged after 4 iterations. iteration 427: trace = 2.532226665761488 (8.31472e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226664557271 (4.75556e-08% change) linmin: converged after 5 iterations. iteration 429: trace = 2.532226663045557 (5.9699e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226661052858 (7.86935e-08% change) linmin: converged after 4 iterations. iteration 431: trace = 2.532226659598508 (5.74337e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226658669453 (3.66893e-08% change) linmin: converged after 24 iterations. iteration 433: trace = 2.532226657248406 (5.61185e-08% change) linmin: converged after 14 iterations. iteration 434: trace = 2.532226656699661 (2.16705e-08% change) linmin: converged after 2 iterations. iteration 435: trace = 2.532226655867938 (3.28455e-08% change) linmin: converged after 5 iterations. iteration 436: trace = 2.532226655024534 (3.33068e-08% change) linmin: converged after 19 iterations. iteration 437: trace = 2.532226654853085 (6.77068e-09% change) large trace change predicted (3.93645e-08%) linmin: converged after 4 iterations. iteration 438: trace = 2.532226653856296 (3.93641e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.53222665306298 (3.13288e-08% change) linmin: converged after 21 iterations. iteration 440: trace = 2.53222665265887 (1.59587e-08% change) large trace change predicted (3.73354e-08%) linmin: converged after 19 iterations. iteration 441: trace = 2.532226651713459 (3.73352e-08% change) linmin: converged after 6 iterations. iteration 442: trace = 2.532226650865377 (3.34915e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.53222664982967 (4.0901e-08% change) linmin: converged after 4 iterations. iteration 444: trace = 2.5322266477675 (8.1437e-08% change) linmin: converged after 20 iterations. iteration 445: trace = 2.532226646830583 (3.69997e-08% change) linmin: converged after 6 iterations. iteration 446: trace = 2.532226645266039 (6.17853e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.532226643783507 (5.85466e-08% change) linmin: converged after 6 iterations. iteration 448: trace = 2.532226643465906 (1.25423e-08% change) large trace change predicted (3.35446e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642616482 (3.35446e-08% change) linmin: converged after 5 iterations. iteration 450: trace = 2.532226641792593 (3.25361e-08% change) linmin: converged after 15 iterations. iteration 451: trace = 2.532226640759845 (4.07842e-08% change) linmin: converged after 14 iterations. iteration 452: trace = 2.532226640549357 (8.31239e-09% change) large trace change predicted (4.66452e-08%) linmin: converged after 4 iterations. iteration 453: trace = 2.532226639368196 (4.66451e-08% change) linmin: converged after 18 iterations. iteration 454: trace = 2.532226639072773 (1.16666e-08% change) large trace change predicted (3.52873e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638179224 (3.52871e-08% change) linmin: converged after 5 iterations. iteration 456: trace = 2.532226637257508 (3.63994e-08% change) linmin: converged after 13 iterations. iteration 457: trace = 2.532226636962479 (1.1651e-08% change) large trace change predicted (5.34515e-08%) linmin: converged after 4 iterations. iteration 458: trace = 2.532226635608954 (5.3452e-08% change) linmin: converged after 4 iterations. iteration 459: trace = 2.532226634849473 (2.99926e-08% change) linmin: converged after 10 iterations. iteration 460: trace = 2.5322266339205 (3.6686e-08% change) linmin: converged after 7 iterations. iteration 461: trace = 2.532226632067301 (7.31845e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.53222663092042 (4.52914e-08% change) linmin: converged after 7 iterations. iteration 463: trace = 2.532226630252143 (2.63909e-08% change) linmin: converged after 4 iterations. iteration 464: trace = 2.53222662909794 (4.55806e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.53222662857571 (2.06233e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.532226628033396 (2.14165e-08% change) linmin: converged after 18 iterations. iteration 467: trace = 2.532226627130709 (3.56479e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226626986287 (5.70337e-09% change) large trace change predicted (2.75595e-08%) linmin: converged after 12 iterations. iteration 469: trace = 2.532226626288405 (2.756e-08% change) linmin: converged after 18 iterations. iteration 470: trace = 2.532226625924587 (1.43675e-08% change) linmin: converged after 10 iterations. iteration 471: trace = 2.532226625614535 (1.22443e-08% change) large trace change predicted (2.89043e-08%) linmin: converged after 24 iterations. iteration 472: trace = 2.532226624882627 (2.89037e-08% change) linmin: converged after 6 iterations. iteration 473: trace = 2.532226624645749 (9.3545e-09% change) large trace change predicted (3.92612e-08%) linmin: converged after 7 iterations. iteration 474: trace = 2.53222662365157 (3.92611e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622203749 (5.71758e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226621786479 (1.64784e-08% change) large trace change predicted (3.44614e-08%) linmin: converged after 11 iterations. iteration 477: trace = 2.532226620913853 (3.44608e-08% change) linmin: converged after 10 iterations. iteration 478: trace = 2.532226620129062 (3.09921e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.532226619389769 (2.91954e-08% change) linmin: converged after 7 iterations. iteration 480: trace = 2.532226619121213 (1.06055e-08% change) large trace change predicted (3.13229e-08%) linmin: converged after 8 iterations. iteration 481: trace = 2.532226618328066 (3.13221e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618071341 (1.01383e-08% change) large trace change predicted (2.20549e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226617512868 (2.20546e-08% change) linmin: converged after 28 iterations. iteration 484: trace = 2.532226617158118 (1.40094e-08% change) linmin: converged after 15 iterations. iteration 485: trace = 2.532226616990453 (6.62123e-09% change) linmin: converged after 4 iterations. iteration 486: trace = 2.532226616740968 (9.85241e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226616452942 (1.13744e-08% change) linmin: converged after 24 iterations. iteration 488: trace = 2.532226616350514 (4.04497e-09% change) large trace change predicted (6.3693e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.532226614737656 (6.36932e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226614356043 (1.50703e-08% change) linmin: converged after 8 iterations. iteration 491: trace = 2.532226613708098 (2.5588e-08% change) linmin: converged after 12 iterations. iteration 492: trace = 2.532226613481639 (8.94305e-09% change) linmin: converged after 18 iterations. iteration 493: trace = 2.532226613390855 (3.58517e-09% change) large trace change predicted (1.11045e-08%) linmin: converged after 4 iterations. iteration 494: trace = 2.53222661310966 (1.11046e-08% change) linmin: converged after 9 iterations. iteration 495: trace = 2.532226612978538 (5.17814e-09% change) linmin: converged after 19 iterations. iteration 496: trace = 2.532226612818014 (6.33924e-09% change) linmin: converged after 10 iterations. iteration 497: trace = 2.532226612499707 (1.25702e-08% change) linmin: converged after 15 iterations. iteration 498: trace = 2.532226612400562 (3.91533e-09% change) large trace change predicted (7.90845e-09%) linmin: converged after 8 iterations. iteration 499: trace = 2.532226612200308 (7.90822e-09% change) linmin: converged after 4 iterations. iteration 500: trace = 2.53222661183032 (1.46112e-08% change) linmin: converged after 28 iterations. iteration 501: trace = 2.532226611735656 (3.73838e-09% change) large trace change predicted (1.68449e-08%) linmin: converged after 8 iterations. iteration 502: trace = 2.532226611309096 (1.68452e-08% change) linmin: converged after 7 iterations. iteration 503: trace = 2.532226611086553 (8.78841e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226610879799 (8.16492e-09% change) linmin: converged after 4 iterations. iteration 505: trace = 2.532226610487903 (1.54764e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.532226610342944 (5.72457e-09% change) linmin: converged after 7 iterations. iteration 507: trace = 2.532226610129535 (8.42773e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.532226609834197 (1.16631e-08% change) linmin: converged after 4 iterations. iteration 509: trace = 2.532226609773988 (2.37772e-09% change) large trace change predicted (8.23506e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.53222660956545 (8.23536e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.532226609408117 (6.21326e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.53222660933298 (2.96722e-09% change) linmin: converged after 2 iterations. iteration 513: trace = 2.532226609216779 (4.58888e-09% change) linmin: converged after 10 iterations. iteration 514: trace = 2.532226609064996 (5.99405e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.532226609028991 (1.42187e-09% change) large trace change predicted (7.63343e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226608835697 (7.63335e-09% change) linmin: converged after 5 iterations. iteration 517: trace = 2.532226608740671 (3.75267e-09% change) linmin: converged after 5 iterations. iteration 518: trace = 2.532226608638877 (4.01993e-09% change) large trace change predicted (9.54797e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608397102 (9.54792e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608167098 (9.08309e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608041733 (4.95077e-09% change) linmin: converged after 5 iterations. iteration 522: trace = 2.53222660792103 (4.76667e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226607757263 (6.4673e-09% change) linmin: converged after 5 iterations. iteration 524: trace = 2.53222660773012 (1.07191e-09% change) large trace change predicted (5.23063e-09%) linmin: converged after 13 iterations. iteration 525: trace = 2.532226607597675 (5.23038e-09% change) linmin: converged after 4 iterations. iteration 526: trace = 2.532226607534311 (2.50229e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.532226607480542 (2.12341e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607400952 (3.14309e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607343637 (2.26341e-09% change) linmin: converged after 3 iterations. iteration 530: trace = 2.532226607300956 (1.68553e-09% change) linmin: converged after 15 iterations. iteration 531: trace = 2.532226607228981 (2.84237e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.532226607211765 (6.79841e-10% change) large trace change predicted (3.69043e-09%) linmin: converged after 15 iterations. iteration 533: trace = 2.532226607118313 (3.69054e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607036424 (3.23386e-09% change) linmin: converged after 4 iterations. iteration 535: trace = 2.532226606999509 (1.45782e-09% change) large trace change predicted (5.07904e-09%) linmin: converged after 2 iterations. iteration 536: trace = 2.532226606870895 (5.07905e-09% change) linmin: converged after 8 iterations. iteration 537: trace = 2.532226606759332 (4.40575e-09% change) linmin: converged after 9 iterations. iteration 538: trace = 2.532226606732932 (1.04257e-09% change) large trace change predicted (3.51654e-09%) linmin: converged after 24 iterations. iteration 539: trace = 2.53222660664388 (3.51674e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226606579878 (2.5275e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606566752 (5.18356e-10% change) large trace change predicted (1.66753e-09%) linmin: converged after 4 iterations. iteration 542: trace = 2.532226606524528 (1.66743e-09% change) linmin: converged after 24 iterations. iteration 543: trace = 2.532226606503792 (8.18914e-10% change) linmin: converged after 9 iterations. iteration 544: trace = 2.53222660648796 (6.25194e-10% change) large trace change predicted (1.9985e-09%) linmin: converged after 17 iterations. iteration 545: trace = 2.53222660643734 (1.99906e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.532226606428637 (3.43682e-10% change) large trace change predicted (1.91697e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606380086 (1.9173e-09% change) linmin: converged after 4 iterations. iteration 548: trace = 2.532226606316409 (2.51468e-09% change) linmin: converged after 22 iterations. iteration 549: trace = 2.532226606270019 (1.83198e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606238847 (1.23101e-09% change) large trace change predicted (3.38359e-09%) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606153159 (3.38388e-09% change) linmin: converged after 21 iterations. iteration 552: trace = 2.532226606112784 (1.59444e-09% change) linmin: converged after 8 iterations. iteration 553: trace = 2.532226606078401 (1.35782e-09% change) linmin: converged after 17 iterations. iteration 554: trace = 2.532226606014963 (2.50523e-09% change) linmin: converged after 5 iterations. iteration 555: trace = 2.532226605994184 (8.2058e-10% change) linmin: converged after 22 iterations. iteration 556: trace = 2.532226605957052 (1.46638e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.532226605918465 (1.52383e-09% change) linmin: converged after 18 iterations. iteration 558: trace = 2.532226605910012 (3.33809e-10% change) large trace change predicted (1.30843e-09%) linmin: converged after 2 iterations. iteration 559: trace = 2.532226605876871 (1.30879e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.532226605863193 (5.40155e-10% change) linmin: converged after 4 iterations. iteration 561: trace = 2.53222660585212 (4.3728e-10% change) large trace change predicted (1.02576e-09%) linmin: converged after 4 iterations. iteration 562: trace = 2.532226605826152 (1.02551e-09% change) linmin: converged after 14 iterations. iteration 563: trace = 2.532226605814464 (4.61587e-10% change) large trace change predicted (9.7626e-10%) linmin: converged after 10 iterations. iteration 564: trace = 2.53222660578974 (9.76365e-10% change) linmin: converged after 5 iterations. iteration 565: trace = 2.532226605744299 (1.79451e-09% change) linmin: converged after 11 iterations. iteration 566: trace = 2.532226605734294 (3.95102e-10% change) large trace change predicted (2.04494e-09%) linmin: converged after 2 iterations. iteration 567: trace = 2.53222660568251 (2.04501e-09% change) linmin: converged after 12 iterations. iteration 568: trace = 2.532226605633589 (1.93193e-09% change) linmin: converged after 15 iterations. iteration 569: trace = 2.532226605613713 (7.84926e-10% change) large trace change predicted (1.75747e-09%) linmin: converged after 9 iterations. iteration 570: trace = 2.532226605569216 (1.7572e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605542166 (1.06824e-09% change) linmin: converged after 18 iterations. iteration 572: trace = 2.532226605527237 (5.89541e-10% change) large trace change predicted (1.24834e-09%) linmin: converged after 8 iterations. iteration 573: trace = 2.532226605495628 (1.2483e-09% change) linmin: converged after 4 iterations. iteration 574: trace = 2.532226605490959 (1.84372e-10% change) large trace change predicted (1.04917e-09%) linmin: converged after 5 iterations. iteration 575: trace = 2.532226605464379 (1.04965e-09% change) linmin: converged after 9 iterations. iteration 576: trace = 2.532226605451706 (5.00485e-10% change) linmin: converged after 15 iterations. iteration 577: trace = 2.532226605442634 (3.58238e-10% change) large trace change predicted (8.04118e-10%) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605422269 (8.04235e-10% change) linmin: converged after 16 iterations. iteration 579: trace = 2.532226605397448 (9.80223e-10% change) linmin: converged after 14 iterations. iteration 580: trace = 2.532226605389615 (3.09344e-10% change) large trace change predicted (1.03181e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.532226605363478 (1.03215e-09% change) linmin: converged after 19 iterations. iteration 582: trace = 2.532226605339899 (9.31171e-10% change) linmin: converged after 9 iterations. iteration 583: trace = 2.532226605322448 (6.89154e-10% change) large trace change predicted (1.48305e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.532226605284889 (1.48322e-09% change) linmin: converged after 9 iterations. iteration 585: trace = 2.532226605252411 (1.2826e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.53222660523769 (5.81351e-10% change) large trace change predicted (1.69467e-09%) linmin: converged after 10 iterations. iteration 587: trace = 2.532226605194783 (1.69442e-09% change) linmin: converged after 3 iterations. iteration 588: trace = 2.532226605169754 (9.88449e-10% change) linmin: converged after 9 iterations. iteration 589: trace = 2.53222660516193 (3.08941e-10% change) large trace change predicted (8.09546e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.532226605141435 (8.09391e-10% change) linmin: converged after 4 iterations. iteration 591: trace = 2.532226605122277 (7.56568e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.532226605113052 (3.64289e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.532226605096785 (6.42399e-10% change) linmin: converged after 11 iterations. iteration 594: trace = 2.532226605071255 (1.00823e-09% change) linmin: converged after 15 iterations. iteration 595: trace = 2.532226605065208 (2.38773e-10% change) large trace change predicted (1.11555e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.532226605036951 (1.11591e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605011912 (9.88799e-10% change) linmin: converged after 4 iterations. iteration 598: trace = 2.532226604999558 (4.87893e-10% change) large trace change predicted (1.53438e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.532226604960699 (1.53457e-09% change) linmin: converged after 6 iterations. iteration 600: trace = 2.532226604943441 (6.81542e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.532226604920721 (8.97218e-10% change) linmin: converged after 2 iterations. iteration 602: trace = 2.5322266048963 (9.64405e-10% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226604890242 (2.39229e-10% change) large trace change predicted (1.21565e-09%) linmin: converged after 8 iterations. iteration 604: trace = 2.532226604859475 (1.21502e-09% change) linmin: converged after 4 iterations. iteration 605: trace = 2.532226604847395 (4.77055e-10% change) linmin: converged after 15 iterations. iteration 606: trace = 2.532226604835143 (4.83842e-10% change) linmin: converged after 7 iterations. iteration 607: trace = 2.532226604817381 (7.01465e-10% change) linmin: converged after 15 iterations. iteration 608: trace = 2.532226604797039 (8.03323e-10% change) linmin: converged after 3 iterations. iteration 609: trace = 2.532226604793828 (1.26796e-10% change) large trace change predicted (5.90518e-10%) linmin: converged after 8 iterations. iteration 610: trace = 2.532226604778882 (5.90225e-10% change) linmin: converged after 12 iterations. iteration 611: trace = 2.532226604768759 (3.99785e-10% change) linmin: converged after 2 iterations. iteration 612: trace = 2.532226604763534 (2.06346e-10% change) large trace change predicted (6.45542e-10%) linmin: converged after 4 iterations. iteration 613: trace = 2.532226604747184 (6.45678e-10% change) linmin: converged after 15 iterations. iteration 614: trace = 2.532226604715724 (1.24236e-09% change) linmin: converged after 11 iterations. iteration 615: trace = 2.532226604710788 (1.94947e-10% change) large trace change predicted (1.09362e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604683095 (1.0936e-09% change) linmin: converged after 25 iterations. iteration 617: trace = 2.532226604661638 (8.47377e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604657047 (1.81285e-10% change) large trace change predicted (6.95973e-10%) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604639426 (6.95888e-10% change) linmin: converged after 17 iterations. iteration 620: trace = 2.532226604627763 (4.60552e-10% change) linmin: converged after 9 iterations. iteration 621: trace = 2.532226604623508 (1.68062e-10% change) large trace change predicted (5.33152e-10%) linmin: converged after 6 iterations. iteration 622: trace = 2.532226604609999 (5.33473e-10% change) linmin: converged after 6 iterations. iteration 623: trace = 2.532226604598838 (4.40752e-10% change) linmin: converged after 9 iterations. iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 48.83384108543396 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.553205790621448 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.488913238697005 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199254755904 (0.957345% change) linmin: converged after 8 iterations. iteration 4: trace = 2.460842870020524 (0.176872% change) large trace change predicted (0.41962%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658433528779 (0.414718% change) linmin: converged after 4 iterations. iteration 6: trace = 2.44793737247712 (0.111096% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239313495162 (0.110278% change) linmin: converged after 3 iterations. iteration 8: trace = 2.442317503762355 (0.119561% change) linmin: converged after 4 iterations. iteration 9: trace = 2.441409215710333 (0.0371965% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907628170731 (0.0615239% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940340313637 (0.0206679% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989968456584 (0.0169496% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435761904823 (0.0227254% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281771534775 (0.00631533% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911257135296 (0.0151969% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756492356261 (0.00634845% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475053090656 (0.0115457% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033013528584 (0.0181368% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850970476376 (0.00747014% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522596811718 (0.0134762% change) linmin: converged after 4 iterations. iteration 21: trace = 2.436395585286843 (0.00521296% change) large trace change predicted (0.0178791%) linmin: converged after 4 iterations. iteration 22: trace = 2.43595471994275 (0.0180966% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746502242666 (0.00854805% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488727702074 (0.0105835% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193433965148 (0.0121254% change) linmin: converged after 7 iterations. iteration 26: trace = 2.435111803466801 (0.00335217% change) large trace change predicted (0.0170019%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694804084818 (0.0171259% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620961955467 (0.00303296% change) large trace change predicted (0.0100121%) linmin: converged after 3 iterations. iteration 29: trace = 2.43437688615835 (0.0100257% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193209974826 (0.00754539% change) linmin: converged after 3 iterations. iteration 31: trace = 2.43408129616119 (0.00459768% change) linmin: converged after 7 iterations. iteration 32: trace = 2.43391401671721 (0.00687262% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862481255047 (0.00211741% change) large trace change predicted (0.00703863%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691129389797 (0.00704057% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624304194898 (0.00274587% change) large trace change predicted (0.00707824%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451857381121 (0.00708626% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377299996253 (0.0030639% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271894258777 (0.00433176% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178234182453 (0.00384922% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135864364515 (0.00174135% change) large trace change predicted (0.00592597%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991500184515 (0.00593343% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956063817808 (0.0014565% change) large trace change predicted (0.0070595%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783990955872 (0.00707283% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719839586028 (0.00263699% change) large trace change predicted (0.00567853%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580667128755 (0.00572102% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479336362056 (0.00416565% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285019119929 (0.00798876% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170765713327 (0.00469748% change) linmin: converged after 3 iterations. iteration 49: trace = 2.43205259750985 (0.00485867% change) linmin: converged after 3 iterations. iteration 50: trace = 2.431877499914179 (0.00719984% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795698368098 (0.00336378% change) linmin: converged after 5 iterations. iteration 52: trace = 2.431696362779601 (0.00408495% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636735215938 (0.00245213% change) large trace change predicted (0.00592308%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492380695374 (0.00593669% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457137418089 (0.00144946% change) large trace change predicted (0.00664172%) linmin: converged after 5 iterations. iteration 56: trace = 2.431295722204049 (0.00663884% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257057177065 (0.00159032% change) large trace change predicted (0.00464771%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144068753099 (0.00464743% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090029143752 (0.00222283% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016690053393 (0.00301676% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957035925643 (0.00245391% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908601939359 (0.0019924% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849617811282 (0.00242645% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813232221527 (0.00149684% change) linmin: converged after 4 iterations. iteration 65: trace = 2.430743311495022 (0.00287647% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720436219301 (0.000941086% change) large trace change predicted (0.00257259%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657818551803 (0.00257613% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628246220045 (0.00121665% change) large trace change predicted (0.00251853%) linmin: converged after 3 iterations. iteration 69: trace = 2.43056702477033 (0.00251878% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539098081382 (0.00114898% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504606749671 (0.00141909% change) linmin: converged after 5 iterations. iteration 72: trace = 2.430479149459877 (0.00104741% change) linmin: converged after 16 iterations. iteration 73: trace = 2.430467696999023 (0.000471203% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449159324092 (0.000762723% change) linmin: converged after 4 iterations. iteration 75: trace = 2.430430808529334 (0.00075504% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421391604532 (0.00038746% change) large trace change predicted (0.000998066%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397160154567 (0.000997011% change) linmin: converged after 4 iterations. iteration 78: trace = 2.430362041417878 (0.00144499% change) linmin: converged after 5 iterations. iteration 79: trace = 2.430349773461511 (0.00050478% change) large trace change predicted (0.00196753%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301915585337 (0.0019692% change) linmin: converged after 3 iterations. iteration 81: trace = 2.430250372503576 (0.00212087% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430232623395246 (0.000730343% change) large trace change predicted (0.0037629%) linmin: converged after 4 iterations. iteration 83: trace = 2.4301412371588 (0.00376046% change) linmin: converged after 3 iterations. iteration 84: trace = 2.43010514343224 (0.00148526% change) linmin: converged after 4 iterations. iteration 85: trace = 2.430052021784968 (0.00218601% change) linmin: converged after 3 iterations. iteration 86: trace = 2.430006083395427 (0.00189045% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964346006139 (0.0017176% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930826247921 (0.00137944% change) linmin: converged after 11 iterations. iteration 89: trace = 2.429891868073963 (0.00160328% change) linmin: converged after 4 iterations. iteration 90: trace = 2.429864867882209 (0.00111117% change) linmin: converged after 5 iterations. iteration 91: trace = 2.42984402391576 (0.000857828% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825103839935 (0.000778657% change) linmin: converged after 4 iterations. iteration 93: trace = 2.429820292443241 (0.000198014% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811482297379 (0.000362585% change) linmin: converged after 14 iterations. iteration 95: trace = 2.429799286673712 (0.000501918% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796371916487 (0.000119959% change) large trace change predicted (0.000516904%) linmin: converged after 3 iterations. iteration 97: trace = 2.429783813738664 (0.000516842% change) linmin: converged after 3 iterations. iteration 98: trace = 2.429779151397187 (0.000191883% change) large trace change predicted (0.000403624%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769350189761 (0.000403379% change) linmin: converged after 4 iterations. iteration 100: trace = 2.429751340478064 (0.000741213% change) linmin: converged after 5 iterations. iteration 101: trace = 2.429742382082464 (0.000368697% change) large trace change predicted (0.00142086%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707985013141 (0.00141568% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664848526827 (0.00177539% change) linmin: converged after 5 iterations. iteration 104: trace = 2.429647100743156 (0.000730465% change) large trace change predicted (0.00236241%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590054218317 (0.00234796% change) linmin: converged after 4 iterations. iteration 106: trace = 2.429562480259027 (0.00113493% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535154296641 (0.00112473% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519732903807 (0.000634749% change) linmin: converged after 4 iterations. iteration 109: trace = 2.42951219614592 (0.000310216% change) linmin: converged after 5 iterations. iteration 110: trace = 2.429498081352979 (0.000580974% change) linmin: converged after 10 iterations. iteration 111: trace = 2.429487760929294 (0.000424797% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483243074665 (0.000185959% change) large trace change predicted (0.000475034%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471695092463 (0.000475328% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465138123002 (0.000269893% change) linmin: converged after 4 iterations. iteration 115: trace = 2.42945938055594 (0.000236989% change) large trace change predicted (0.000647843%) linmin: converged after 4 iterations. iteration 116: trace = 2.42944361413424 (0.00064897% change) linmin: converged after 14 iterations. iteration 117: trace = 2.429438400041199 (0.000214621% change) large trace change predicted (0.000450964%) linmin: converged after 3 iterations. iteration 118: trace = 2.429427430525862 (0.000451526% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413713505623 (0.000564621% change) linmin: converged after 3 iterations. iteration 120: trace = 2.4294083390858 (0.000221223% change) large trace change predicted (0.000901689%) linmin: converged after 4 iterations. iteration 121: trace = 2.429386329284622 (0.000905978% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375863255854 (0.00043081% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364826988096 (0.000454285% change) large trace change predicted (0.00110555%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337840515783 (0.00111085% change) linmin: converged after 4 iterations. iteration 125: trace = 2.42933410208479 (0.000153887% change) large trace change predicted (0.00052566%) linmin: converged after 5 iterations. iteration 126: trace = 2.429321314845719 (0.000526369% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312599559619 (0.000358755% change) linmin: converged after 5 iterations. iteration 128: trace = 2.429307021087118 (0.000229632% change) linmin: converged after 5 iterations. iteration 129: trace = 2.42929958575789 (0.000306068% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296539788722 (0.000125385% change) linmin: converged after 4 iterations. iteration 131: trace = 2.429294305400699 (9.19768e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.429292122600523 (8.98533e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.429291314686784 (3.32572e-05% change) large trace change predicted (0.000157942%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287476323366 (0.000158004% change) linmin: converged after 3 iterations. iteration 135: trace = 2.42928576979761 (7.0248e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429284010270354 (7.24298e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.429281362485154 (0.000108995% change) linmin: converged after 4 iterations. iteration 138: trace = 2.42927809653981 (0.000134441% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275607822539 (0.000102447% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274093062705 (6.23544e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.429272890958271 (4.94841e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271249541947 (6.75682e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270207995202 (4.28749e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268640513438 (6.45248e-05% change) linmin: converged after 10 iterations. iteration 145: trace = 2.429267029976984 (6.62972e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.42926645766938 (2.35589e-05% change) large trace change predicted (8.02167e-05%) linmin: converged after 5 iterations. iteration 147: trace = 2.429264509693013 (8.01879e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263383610925 (4.63549e-05% change) linmin: converged after 14 iterations. iteration 149: trace = 2.429261898029446 (6.11536e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259843228488 (8.45854e-05% change) linmin: converged after 9 iterations. iteration 151: trace = 2.429257075160755 (0.000113947% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255780909553 (5.32777e-05% change) large trace change predicted (0.000132524%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252563104281 (0.000132461% change) linmin: converged after 3 iterations. iteration 154: trace = 2.42925184933551 (2.93822e-05% change) large trace change predicted (0.000122656%) linmin: converged after 4 iterations. iteration 155: trace = 2.429248872589175 (0.000122538% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246901065232 (8.11578e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245882956419 (4.19105e-05% change) large trace change predicted (0.000117697%) linmin: converged after 5 iterations. iteration 158: trace = 2.429243024087283 (0.000117686% change) linmin: converged after 13 iterations. iteration 159: trace = 2.42924113639769 (7.77069e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240366777501 (3.16815e-05% change) large trace change predicted (9.46388e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.429238068403595 (9.46129e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429236539509766 (6.29372e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.429234987727312 (6.38795e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.429234256920607 (3.00838e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233883868129 (1.53568e-05% change) large trace change predicted (3.28506e-05%) linmin: converged after 4 iterations. iteration 166: trace = 2.429233085995593 (3.28446e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232295160021 (3.2555e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232102888984 (7.91489e-06% change) large trace change predicted (2.13645e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231583890314 (2.13647e-05% change) large trace change predicted (4.62072e-05%) linmin: converged after 4 iterations. iteration 170: trace = 2.429230460568542 (4.62419e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.429230047862521 (1.69892e-05% change) large trace change predicted (4.99371e-05%) linmin: converged after 5 iterations. iteration 172: trace = 2.429228834067868 (4.99662e-05% change) linmin: converged after 5 iterations. iteration 173: trace = 2.429226577625988 (9.28872e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225448690378 (4.64731e-05% change) large trace change predicted (0.00015282%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221725356604 (0.000153273% change) linmin: converged after 3 iterations. iteration 176: trace = 2.429220661944724 (4.37758e-05% change) large trace change predicted (0.000105601%) linmin: converged after 5 iterations. iteration 177: trace = 2.429218091704528 (0.000105805% change) linmin: converged after 4 iterations. iteration 178: trace = 2.429216795668937 (5.3352e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216318331167 (1.96499e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215476912975 (3.46374e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214875314416 (2.47651e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214663414664 (8.72297e-06% change) large trace change predicted (1.81869e-05%) linmin: converged after 4 iterations. iteration 183: trace = 2.429214221565788 (1.8189e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213984677035 (9.75166e-06% change) large trace change predicted (2.09936e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.429213474680934 (2.09943e-05% change) large trace change predicted (4.56717e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212365153615 (4.56744e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429212026400968 (1.3945e-05% change) large trace change predicted (3.94202e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.429211068770147 (3.94215e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.429209642033 (5.87325e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429209301935933 (1.40003e-05% change) large trace change predicted (9.25361e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.429207054553685 (9.2515e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.42920549670188 (6.41301e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.429204819776946 (2.78661e-05% change) large trace change predicted (8.18913e-05%) linmin: converged after 4 iterations. iteration 194: trace = 2.429202831236179 (8.18598e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201138362308 (6.96885e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200323012721 (3.35645e-05% change) large trace change predicted (8.31709e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198303567092 (8.31322e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196805629418 (6.16639e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.429196182943441 (2.56334e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.429195215532692 (3.98243e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.429194990200281 (9.27601e-06% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194618319072 (1.53088e-05% change) linmin: converged after 4 iterations. iteration 203: trace = 2.429193914553782 (2.89711e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193731764764 (7.52468e-06% change) large trace change predicted (2.08477e-05%) linmin: converged after 3 iterations. iteration 205: trace = 2.429193225342077 (2.08474e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.429192572523023 (2.68739e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.429192202283736 (1.52413e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.429191604892141 (2.45922e-05% change) large trace change predicted (7.48501e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.429189786723055 (7.48467e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.429189035226658 (3.09361e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429188353489596 (2.80644e-05% change) linmin: converged after 4 iterations. iteration 212: trace = 2.429188058780088 (1.2132e-05% change) linmin: converged after 10 iterations. iteration 213: trace = 2.429187704674257 (1.45771e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.429187256393432 (1.84539e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429187110358006 (6.0117e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.429186832885372 (1.14224e-05% change) large trace change predicted (2.48735e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429186228697037 (2.4872e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429186061814468 (6.8699e-06% change) large trace change predicted (2.04016e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429185566158758 (2.04042e-05% change) linmin: converged after 2 iterations. iteration 220: trace = 2.429185198851079 (1.51206e-05% change) linmin: converged after 11 iterations. iteration 221: trace = 2.429184968496556 (9.48279e-06% change) large trace change predicted (2.80155e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.429184287927164 (2.80164e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.429184089879073 (8.15286e-06% change) large trace change predicted (2.34384e-05%) linmin: converged after 3 iterations. iteration 224: trace = 2.429183520565823 (2.34364e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.429182938238127 (2.39722e-05% change) linmin: converged after 2 iterations. iteration 226: trace = 2.429182756518748 (7.48068e-06% change) large trace change predicted (2.1841e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.429182226031851 (2.18381e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181596068853 (2.59331e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.429181332945769 (1.08318e-05% change) large trace change predicted (2.65155e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.429180688903546 (2.65127e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 2.429179901322561 (3.24217e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.42917968824544 (8.77157e-06% change) large trace change predicted (1.7545e-05%) linmin: converged after 3 iterations. iteration 233: trace = 2.429179262082394 (1.75435e-05% change) linmin: converged after 2 iterations. iteration 234: trace = 2.429179059783791 (8.32786e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178948125327 (4.59655e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.429178815387207 (5.46432e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429178685026278 (5.36646e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.4291786422822 (1.75961e-06% change) large trace change predicted (6.3228e-06%) linmin: converged after 3 iterations. iteration 239: trace = 2.429178488726127 (6.32132e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.429178226328228 (1.08019e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429178098467372 (5.26354e-06% change) linmin: converged after 5 iterations. iteration 242: trace = 2.429177845535906 (1.04122e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.429177340626667 (2.07852e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429177176341105 (6.76301e-06% change) large trace change predicted (2.77559e-05%) linmin: converged after 5 iterations. iteration 245: trace = 2.429176502846627 (2.77252e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.429176238380631 (1.08871e-05% change) linmin: converged after 6 iterations. iteration 247: trace = 2.429175986076123 (1.03864e-05% change) linmin: converged after 7 iterations. iteration 248: trace = 2.429175577840264 (1.68055e-05% change) linmin: converged after 13 iterations. iteration 249: trace = 2.429175408961133 (6.95212e-06% change) large trace change predicted (1.3957e-05%) linmin: converged after 7 iterations. iteration 250: trace = 2.429175069993494 (1.3954e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.429174761872467 (1.26842e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.42917466887513 (3.82835e-06% change) large trace change predicted (1.30762e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.429174351289464 (1.30738e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.429174170497995 (7.44251e-06% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429174050528544 (4.93869e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173939539032 (4.56902e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.429173810486296 (5.31262e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.429173757768106 (2.17021e-06% change) large trace change predicted (7.01507e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429173587357009 (7.01519e-06% change) linmin: converged after 36 iterations. iteration 260: trace = 2.429173545915708 (1.70598e-06% change) large trace change predicted (1.32787e-05%) linmin: converged after 5 iterations. iteration 261: trace = 2.429173223315636 (1.32802e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.429172942481005 (1.15609e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172792162812 (6.18804e-06% change) large trace change predicted (2.2294e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.429172250254731 (2.23083e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171719172465 (2.18627e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429171518377716 (8.26598e-06% change) large trace change predicted (2.88089e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.429170817972117 (2.88331e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.42917067117088 (6.04327e-06% change) large trace change predicted (1.21646e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.429170375548563 (1.21697e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.429170141903263 (9.61832e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429170003374988 (5.7027e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169922373948 (3.33452e-06% change) large trace change predicted (9.25322e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169697564546 (9.25458e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.429169652963815 (1.83605e-06% change) large trace change predicted (9.25293e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169428190389 (9.2531e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429169269843783 (6.51855e-06% change) linmin: converged after 3 iterations. iteration 277: trace = 2.429169210874933 (2.42753e-06% change) large trace change predicted (7.91894e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429169018513845 (7.9188e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.429168919573291 (4.07302e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.429168871317946 (1.9865e-06% change) large trace change predicted (6.03567e-06%) linmin: converged after 4 iterations. iteration 281: trace = 2.429168724707311 (6.03542e-06% change) linmin: converged after 4 iterations. iteration 282: trace = 2.429168675783422 (2.01402e-06% change) large trace change predicted (4.60575e-06%) linmin: converged after 3 iterations. iteration 283: trace = 2.42916856390598 (4.60559e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.429168397455134 (6.85217e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.429168351774628 (1.8805e-06% change) large trace change predicted (3.89849e-06%) linmin: converged after 4 iterations. iteration 286: trace = 2.429168257067436 (3.89875e-06% change) linmin: converged after 3 iterations. iteration 287: trace = 2.42916808912151 (6.91372e-06% change) linmin: converged after 29 iterations. iteration 288: trace = 2.429168054476065 (1.42623e-06% change) large trace change predicted (7.91204e-06%) linmin: converged after 7 iterations. iteration 289: trace = 2.429167862358921 (7.90876e-06% change) linmin: converged after 10 iterations. iteration 290: trace = 2.429167719322011 (5.88831e-06% change) linmin: converged after 4 iterations. iteration 291: trace = 2.429167544468004 (7.1981e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.42916731615927 (9.39864e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.42916720194087 (4.70196e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.429167017783616 (7.58109e-06% change) linmin: converged after 4 iterations. iteration 295: trace = 2.429166747503431 (1.11265e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.42916668283277 (2.66226e-06% change) large trace change predicted (6.80606e-06%) linmin: converged after 4 iterations. iteration 297: trace = 2.429166517536004 (6.80467e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.429166300607401 (8.93017e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.429166261200211 (1.62225e-06% change) large trace change predicted (4.19602e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.429166159264932 (4.19631e-06% change) linmin: converged after 5 iterations. iteration 301: trace = 2.42916607812563 (3.34021e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.42916604924301 (1.18899e-06% change) large trace change predicted (4.50338e-06%) linmin: converged after 5 iterations. iteration 303: trace = 2.42916593984982 (4.50332e-06% change) linmin: converged after 3 iterations. iteration 304: trace = 2.429165910075201 (1.22571e-06% change) large trace change predicted (2.50423e-06%) linmin: converged after 8 iterations. iteration 305: trace = 2.42916584924665 (2.50409e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.42916580294676 (1.906e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.42916572913721 (3.03847e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.429165710655394 (7.6083e-07% change) large trace change predicted (3.34149e-06%) linmin: converged after 4 iterations. iteration 309: trace = 2.429165629472555 (3.34201e-06% change) linmin: converged after 4 iterations. iteration 310: trace = 2.429165484534654 (5.96657e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165448799646 (1.47108e-06% change) large trace change predicted (7.07575e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165276853678 (7.0784e-06% change) linmin: converged after 25 iterations. iteration 313: trace = 2.429165180315826 (3.97412e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.429165104352876 (3.12712e-06% change) linmin: converged after 7 iterations. iteration 315: trace = 2.429164991533192 (4.64438e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.42916486536403 (5.19393e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164796374211 (2.84006e-06% change) large trace change predicted (6.44745e-06%) linmin: converged after 4 iterations. iteration 318: trace = 2.429164639704397 (6.44953e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164606546153 (1.36501e-06% change) large trace change predicted (3.25242e-06%) linmin: converged after 4 iterations. iteration 320: trace = 2.429164527531566 (3.25275e-06% change) linmin: converged after 5 iterations. iteration 321: trace = 2.429164438660931 (3.65849e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.429164419398778 (7.92954e-07% change) large trace change predicted (2.3526e-06%) linmin: converged after 4 iterations. iteration 323: trace = 2.429164362247049 (2.35273e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.429164306062881 (2.3129e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164293306547 (5.25133e-07% change) large trace change predicted (2.2169e-06%) linmin: converged after 2 iterations. iteration 326: trace = 2.4291642394545 (2.2169e-06% change) linmin: converged after 7 iterations. iteration 327: trace = 2.429164221111337 (7.55122e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.429164193894918 (1.1204e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.429164149591694 (1.82381e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429164063698702 (3.53591e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.429164024759665 (1.60298e-06% change) large trace change predicted (5.53348e-06%) linmin: converged after 2 iterations. iteration 332: trace = 2.429163890342143 (5.53349e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163765920217 (5.12201e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.429163655993809 (4.52528e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163482734742 (7.13246e-06% change) linmin: converged after 2 iterations. iteration 336: trace = 2.429163405761019 (3.16873e-06% change) linmin: converged after 15 iterations. iteration 337: trace = 2.429163327456446 (3.22352e-06% change) linmin: converged after 6 iterations. iteration 338: trace = 2.429163226055506 (4.17432e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163204380151 (8.92297e-07% change) large trace change predicted (3.49725e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.429163119431029 (3.49705e-06% change) linmin: converged after 20 iterations. iteration 341: trace = 2.429163077721464 (1.71703e-06% change) linmin: converged after 22 iterations. iteration 342: trace = 2.429163045872508 (1.31111e-06% change) linmin: converged after 5 iterations. iteration 343: trace = 2.429162992538449 (2.19557e-06% change) linmin: converged after 6 iterations. iteration 344: trace = 2.429162965495263 (1.11327e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.429162913274279 (2.14975e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.429162863235207 (2.05993e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.4291628456336 (7.24596e-07% change) large trace change predicted (1.77847e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.429162802430328 (1.77853e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.429162739935152 (2.5727e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 350: trace = 2.42916270053176 (1.6221e-06% change) linmin: converged after 9 iterations. iteration 351: trace = 2.429162686618872 (5.72744e-07% change) large trace change predicted (1.60545e-06%) linmin: converged after 11 iterations. iteration 352: trace = 2.429162647620967 (1.60541e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.429162612939828 (1.4277e-06% change) linmin: converged after 17 iterations. iteration 354: trace = 2.429162598742549 (5.84452e-07% change) large trace change predicted (2.42484e-06%) linmin: converged after 3 iterations. iteration 355: trace = 2.4291625398385 (2.42487e-06% change) linmin: converged after 10 iterations. iteration 356: trace = 2.4291625158628 (9.86994e-07% change) large trace change predicted (1.99257e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.429162467451931 (1.9929e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.429162425156038 (1.74117e-06% change) linmin: converged after 8 iterations. iteration 359: trace = 2.42916241150935 (5.61786e-07% change) large trace change predicted (2.05754e-06%) linmin: converged after 2 iterations. iteration 360: trace = 2.429162361526912 (2.0576e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162305005736 (2.32678e-06% change) linmin: converged after 21 iterations. iteration 362: trace = 2.429162289033123 (6.57536e-07% change) large trace change predicted (2.59992e-06%) linmin: converged after 2 iterations. iteration 363: trace = 2.429162225874592 (2.60001e-06% change) linmin: converged after 8 iterations. iteration 364: trace = 2.42916215213349 (3.03566e-06% change) linmin: converged after 6 iterations. iteration 365: trace = 2.429162114735383 (1.53955e-06% change) large trace change predicted (4.12664e-06%) linmin: converged after 5 iterations. iteration 366: trace = 2.429162014485762 (4.12692e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161937969076 (3.14992e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.429161921258092 (6.87932e-07% change) large trace change predicted (2.36695e-06%) linmin: converged after 3 iterations. iteration 369: trace = 2.429161863759391 (2.36702e-06% change) linmin: converged after 11 iterations. iteration 370: trace = 2.429161849976834 (5.67379e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161834118966 (6.52812e-07% change) linmin: converged after 21 iterations. iteration 372: trace = 2.429161820346843 (5.6695e-07% change) linmin: converged after 8 iterations. iteration 373: trace = 2.429161810521062 (4.04493e-07% change) linmin: converged after 9 iterations. iteration 374: trace = 2.42916179531213 (6.26098e-07% change) linmin: converged after 20 iterations. iteration 375: trace = 2.429161771423542 (9.83409e-07% change) linmin: converged after 13 iterations. iteration 376: trace = 2.429161763830456 (3.1258e-07% change) large trace change predicted (9.95475e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161739650788 (9.95391e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.429161704218765 (1.45861e-06% change) linmin: converged after 14 iterations. iteration 379: trace = 2.429161693347212 (4.47543e-07% change) large trace change predicted (1.20818e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.429161664000104 (1.20812e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.429161611934315 (2.14336e-06% change) linmin: converged after 10 iterations. iteration 382: trace = 2.429161601574118 (4.26493e-07% change) large trace change predicted (2.10697e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.429161550399598 (2.10667e-06% change) linmin: converged after 17 iterations. iteration 384: trace = 2.429161522993279 (1.12822e-06% change) linmin: converged after 10 iterations. iteration 385: trace = 2.429161500564571 (9.23311e-07% change) linmin: converged after 7 iterations. iteration 386: trace = 2.429161456703279 (1.80561e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161415467751 (1.69752e-06% change) linmin: converged after 16 iterations. iteration 388: trace = 2.429161393304343 (9.12389e-07% change) large trace change predicted (1.89859e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.429161347186578 (1.89851e-06% change) linmin: converged after 7 iterations. iteration 390: trace = 2.429161324950827 (9.15367e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.429161317015616 (3.26665e-07% change) large trace change predicted (8.59745e-07%) linmin: converged after 4 iterations. iteration 392: trace = 2.429161296131448 (8.59728e-07% change) linmin: converged after 2 iterations. iteration 393: trace = 2.429161291181173 (2.03785e-07% change) large trace change predicted (5.29641e-07%) linmin: converged after 5 iterations. iteration 394: trace = 2.429161278315192 (5.29647e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161265356961 (5.33445e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.429161261869211 (1.43578e-07% change) large trace change predicted (8.36476e-07%) linmin: converged after 2 iterations. iteration 397: trace = 2.429161241549844 (8.36477e-07% change) linmin: converged after 15 iterations. iteration 398: trace = 2.429161218388045 (9.5349e-07% change) linmin: converged after 4 iterations. iteration 399: trace = 2.429161210937119 (3.06728e-07% change) large trace change predicted (8.14179e-07%) linmin: converged after 3 iterations. iteration 400: trace = 2.429161191159865 (8.1416e-07% change) linmin: converged after 10 iterations. iteration 401: trace = 2.42916115839568 (1.34879e-06% change) linmin: converged after 10 iterations. iteration 402: trace = 2.429161140878337 (7.21127e-07% change) large trace change predicted (1.49051e-06%) linmin: converged after 20 iterations. iteration 403: trace = 2.429161104667986 (1.49065e-06% change) linmin: converged after 11 iterations. iteration 404: trace = 2.429161083170334 (8.84983e-07% change) linmin: converged after 3 iterations. iteration 405: trace = 2.429161048270787 (1.43669e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.42916099920414 (2.0199e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.429160982945467 (6.69312e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.429160959714191 (9.5635e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.429160920962948 (1.59525e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.429160911946585 (3.71172e-07% change) large trace change predicted (9.33439e-07%) linmin: converged after 15 iterations. iteration 411: trace = 2.429160889269008 (9.33556e-07% change) linmin: converged after 4 iterations. iteration 412: trace = 2.429160866943898 (9.19046e-07% change) linmin: converged after 6 iterations. iteration 413: trace = 2.4291608614916 (2.24452e-07% change) large trace change predicted (5.07435e-07%) linmin: converged after 20 iterations. iteration 414: trace = 2.429160849164178 (5.07477e-07% change) linmin: converged after 7 iterations. iteration 415: trace = 2.42916083216274 (6.99889e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160826769361 (2.22026e-07% change) large trace change predicted (4.99169e-07%) linmin: converged after 23 iterations. iteration 417: trace = 2.429160814643395 (4.99183e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.429160802418464 (5.03257e-07% change) linmin: converged after 5 iterations. iteration 419: trace = 2.429160796221078 (2.55125e-07% change) resetting CG direction... linmin: converged after 17 iterations. iteration 420: trace = 2.429160790346842 (2.41822e-07% change) linmin: converged after 2 iterations. iteration 421: trace = 2.429160779915612 (4.29417e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.429160768544104 (4.68125e-07% change) linmin: converged after 3 iterations. iteration 423: trace = 2.42916076367561 (2.00419e-07% change) large trace change predicted (5.93356e-07%) linmin: converged after 23 iterations. iteration 424: trace = 2.429160749262659 (5.9333e-07% change) linmin: converged after 3 iterations. iteration 425: trace = 2.429160738203669 (4.5526e-07% change) linmin: converged after 16 iterations. iteration 426: trace = 2.429160734104865 (1.68733e-07% change) large trace change predicted (7.28314e-07%) linmin: converged after 4 iterations. iteration 427: trace = 2.429160716414508 (7.2825e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.429160706502238 (4.08053e-07% change) linmin: converged after 14 iterations. iteration 429: trace = 2.429160692077318 (5.93823e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160667097955 (1.02831e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.429160655367485 (4.82902e-07% change) linmin: converged after 6 iterations. iteration 432: trace = 2.429160640748588 (6.01809e-07% change) large trace change predicted (1.2155e-06%) linmin: converged after 8 iterations. iteration 433: trace = 2.429160611227006 (1.2153e-06% change) linmin: converged after 11 iterations. iteration 434: trace = 2.429160602749563 (3.48987e-07% change) large trace change predicted (1.02435e-06%) linmin: converged after 3 iterations. iteration 435: trace = 2.429160577870109 (1.0242e-06% change) linmin: converged after 9 iterations. iteration 436: trace = 2.429160558905898 (7.8069e-07% change) linmin: converged after 9 iterations. iteration 437: trace = 2.429160552631934 (2.58277e-07% change) large trace change predicted (7.65455e-07%) linmin: converged after 8 iterations. iteration 438: trace = 2.429160534039245 (7.65396e-07% change) linmin: converged after 7 iterations. iteration 439: trace = 2.429160523677099 (4.26573e-07% change) linmin: converged after 5 iterations. iteration 440: trace = 2.42916051975533 (1.61445e-07% change) large trace change predicted (4.48006e-07%) linmin: converged after 5 iterations. iteration 441: trace = 2.429160508872857 (4.47993e-07% change) linmin: converged after 6 iterations. iteration 442: trace = 2.429160499818887 (3.7272e-07% change) linmin: converged after 20 iterations. iteration 443: trace = 2.429160497920686 (7.81423e-08% change) large trace change predicted (1.8902e-07%) linmin: converged after 3 iterations. iteration 444: trace = 2.429160493329062 (1.89021e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.429160488293158 (2.0731e-07% change) linmin: converged after 15 iterations. iteration 446: trace = 2.429160484353091 (1.62199e-07% change) large trace change predicted (3.93662e-07%) linmin: converged after 5 iterations. iteration 447: trace = 2.429160474790068 (3.93676e-07% change) linmin: converged after 11 iterations. iteration 448: trace = 2.429160471580279 (1.32136e-07% change) large trace change predicted (3.37821e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.429160463373595 (3.3784e-07% change) large trace change predicted (7.50168e-07%) linmin: converged after 4 iterations. iteration 450: trace = 2.429160445149095 (7.50239e-07% change) linmin: converged after 8 iterations. iteration 451: trace = 2.429160430415562 (6.06528e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.429160418995421 (4.70127e-07% change) linmin: converged after 7 iterations. iteration 453: trace = 2.429160408187375 (4.44929e-07% change) linmin: converged after 6 iterations. iteration 454: trace = 2.429160392174707 (6.59185e-07% change) linmin: converged after 14 iterations. iteration 455: trace = 2.429160389306145 (1.18089e-07% change) large trace change predicted (7.13829e-07%) linmin: converged after 5 iterations. iteration 456: trace = 2.429160371964514 (7.13894e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.429160366450214 (2.27004e-07% change) linmin: converged after 11 iterations. iteration 458: trace = 2.429160358240431 (3.37968e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.429160347465205 (4.43578e-07% change) linmin: converged after 4 iterations. iteration 460: trace = 2.429160344197699 (1.34512e-07% change) large trace change predicted (3.7424e-07%) linmin: converged after 5 iterations. iteration 461: trace = 2.429160335106463 (3.74254e-07% change) linmin: converged after 6 iterations. iteration 462: trace = 2.429160328738462 (2.62148e-07% change) linmin: converged after 6 iterations. iteration 463: trace = 2.429160326096865 (1.08745e-07% change) large trace change predicted (2.29086e-07%) linmin: converged after 13 iterations. iteration 464: trace = 2.42916032053192 (2.29089e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.429160316560381 (1.63494e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160314743921 (7.47773e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.429160311749455 (1.23272e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.429160306253959 (2.2623e-07% change) linmin: converged after 4 iterations. iteration 469: trace = 2.429160304081518 (8.94318e-08% change) large trace change predicted (5.13348e-07%) linmin: converged after 5 iterations. iteration 470: trace = 2.429160291611896 (5.13331e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.429160283833624 (3.20204e-07% change) linmin: converged after 16 iterations. iteration 472: trace = 2.429160275131582 (3.58233e-07% change) linmin: converged after 16 iterations. iteration 473: trace = 2.429160259073368 (6.6106e-07% change) linmin: converged after 4 iterations. iteration 474: trace = 2.429160247142288 (4.91161e-07% change) linmin: converged after 6 iterations. iteration 475: trace = 2.429160239085526 (3.31669e-07% change) linmin: converged after 7 iterations. iteration 476: trace = 2.42916022558022 (5.55966e-07% change) linmin: converged after 8 iterations. iteration 477: trace = 2.429160222701592 (1.18503e-07% change) large trace change predicted (4.17295e-07%) linmin: converged after 5 iterations. iteration 478: trace = 2.429160212565087 (4.17284e-07% change) linmin: converged after 5 iterations. iteration 479: trace = 2.429160204034741 (3.51164e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160202211879 (7.50408e-08% change) large trace change predicted (2.07523e-07%) linmin: converged after 13 iterations. iteration 481: trace = 2.429160197170912 (2.07519e-07% change) linmin: converged after 8 iterations. iteration 482: trace = 2.429160189434346 (3.18487e-07% change) linmin: converged after 3 iterations. iteration 483: trace = 2.429160186781246 (1.09219e-07% change) linmin: converged after 10 iterations. iteration 484: trace = 2.429160182012993 (1.96292e-07% change) linmin: converged after 6 iterations. iteration 485: trace = 2.429160177176469 (1.99103e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.429160174959482 (9.12656e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.429160171172834 (1.55883e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.429160166507869 (1.9204e-07% change) linmin: converged after 9 iterations. iteration 489: trace = 2.429160160202792 (2.59558e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.429160155170272 (2.07171e-07% change) linmin: converged after 7 iterations. iteration 491: trace = 2.429160151571659 (1.48142e-07% change) linmin: converged after 5 iterations. iteration 492: trace = 2.429160149556282 (8.2966e-08% change) linmin: converged after 10 iterations. iteration 493: trace = 2.429160146780887 (1.14253e-07% change) linmin: converged after 2 iterations. iteration 494: trace = 2.429160142508357 (1.75885e-07% change) linmin: converged after 6 iterations. iteration 495: trace = 2.429160139973566 (1.04348e-07% change) linmin: converged after 7 iterations. iteration 496: trace = 2.429160135710989 (1.75475e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.429160129290891 (2.64293e-07% change) linmin: converged after 21 iterations. iteration 498: trace = 2.429160127146059 (8.82952e-08% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160123941492 (1.31921e-07% change) linmin: converged after 15 iterations. iteration 500: trace = 2.429160119289382 (1.91511e-07% change) linmin: converged after 10 iterations. iteration 501: trace = 2.429160117349411 (7.98618e-08% change) large trace change predicted (2.72437e-07%) linmin: converged after 15 iterations. iteration 502: trace = 2.429160110731423 (2.72439e-07% change) linmin: converged after 18 iterations. iteration 503: trace = 2.429160106797444 (1.61948e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.429160100888619 (2.43246e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.429160090558906 (4.25238e-07% change) linmin: converged after 2 iterations. iteration 506: trace = 2.429160086442407 (1.69462e-07% change) linmin: converged after 14 iterations. iteration 507: trace = 2.429160080154664 (2.58844e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.429160072676628 (3.07845e-07% change) linmin: converged after 14 iterations. iteration 509: trace = 2.429160069911462 (1.13832e-07% change) linmin: converged after 13 iterations. iteration 510: trace = 2.429160066042389 (1.59276e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.429160062995054 (1.25448e-07% change) linmin: converged after 6 iterations. iteration 512: trace = 2.429160062364289 (2.59664e-08% change) large trace change predicted (6.72364e-08%) linmin: converged after 4 iterations. iteration 513: trace = 2.429160060730999 (6.72368e-08% change) linmin: converged after 9 iterations. iteration 514: trace = 2.429160059092071 (6.74689e-08% change) linmin: converged after 4 iterations. iteration 515: trace = 2.429160058640223 (1.8601e-08% change) large trace change predicted (1.37788e-07%) linmin: converged after 4 iterations. iteration 516: trace = 2.429160055293215 (1.37785e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.429160052668501 (1.0805e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.429160051444667 (5.0381e-08% change) large trace change predicted (1.56117e-07%) linmin: converged after 21 iterations. iteration 519: trace = 2.429160047652415 (1.56114e-07% change) linmin: converged after 5 iterations. iteration 520: trace = 2.429160043638118 (1.65255e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.429160041837858 (7.41104e-08% change) linmin: converged after 5 iterations. iteration 522: trace = 2.429160038508229 (1.37069e-07% change) linmin: converged after 35 iterations. iteration 523: trace = 2.429160032321545 (2.54684e-07% change) linmin: converged after 4 iterations. iteration 524: trace = 2.429160031307016 (4.17646e-08% change) large trace change predicted (2.14345e-07%) linmin: converged after 4 iterations. iteration 525: trace = 2.429160026100677 (2.14327e-07% change) linmin: converged after 4 iterations. iteration 526: trace = 2.429160023199376 (1.19436e-07% change) linmin: converged after 5 iterations. iteration 527: trace = 2.429160019372536 (1.57538e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.42916001545453 (1.61291e-07% change) linmin: converged after 24 iterations. iteration 529: trace = 2.429160013400103 (8.45735e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.42916001041666 (1.22818e-07% change) linmin: converged after 26 iterations. iteration 531: trace = 2.4291600078618 (1.05175e-07% change) linmin: converged after 9 iterations. iteration 532: trace = 2.429160006365997 (6.15769e-08% change) linmin: converged after 6 iterations. iteration 533: trace = 2.429160005060261 (5.37526e-08% change) linmin: converged after 5 iterations. iteration 534: trace = 2.429160003164485 (7.80424e-08% change) linmin: converged after 23 iterations. iteration 535: trace = 2.42916000262062 (2.2389e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429160001707465 (3.75914e-08% change) linmin: converged after 6 iterations. iteration 537: trace = 2.42915999996646 (7.16711e-08% change) linmin: converged after 5 iterations. iteration 538: trace = 2.429159999583672 (1.5758e-08% change) large trace change predicted (1.14684e-07%) linmin: converged after 4 iterations. iteration 539: trace = 2.429159996797819 (1.14684e-07% change) linmin: converged after 42 iterations. iteration 540: trace = 2.429159994434252 (9.72998e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159992983682 (5.97149e-08% change) large trace change predicted (1.32497e-07%) linmin: converged after 4 iterations. iteration 542: trace = 2.429159989765094 (1.32498e-07% change) linmin: converged after 22 iterations. iteration 543: trace = 2.429159986006735 (1.54718e-07% change) linmin: converged after 14 iterations. iteration 544: trace = 2.429159984648221 (5.59252e-08% change) large trace change predicted (1.75215e-07%) linmin: converged after 8 iterations. iteration 545: trace = 2.429159980391693 (1.75226e-07% change) linmin: converged after 6 iterations. iteration 546: trace = 2.429159975868127 (1.86219e-07% change) linmin: converged after 6 iterations. iteration 547: trace = 2.42915997401394 (7.63304e-08% change) linmin: converged after 28 iterations. iteration 548: trace = 2.429159970899685 (1.28203e-07% change) linmin: converged after 6 iterations. iteration 549: trace = 2.429159969023587 (7.72324e-08% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159966923767 (8.64422e-08% change) linmin: converged after 22 iterations. iteration 551: trace = 2.42915996411646 (1.15567e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.429159963256416 (3.5405e-08% change) large trace change predicted (8.8105e-08%) linmin: converged after 7 iterations. iteration 553: trace = 2.429159961116178 (8.81061e-08% change) linmin: converged after 11 iterations. iteration 554: trace = 2.429159959850148 (5.2118e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159959204245 (2.65896e-08% change) large trace change predicted (7.54184e-08%) linmin: converged after 6 iterations. iteration 556: trace = 2.429159957372193 (7.54191e-08% change) linmin: converged after 9 iterations. iteration 557: trace = 2.429159956173438 (4.93485e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.429159955303898 (3.5796e-08% change) linmin: converged after 21 iterations. iteration 559: trace = 2.429159954282675 (4.20402e-08% change) resetting CG direction... linmin: converged after 27 iterations. iteration 560: trace = 2.4291599533282 (3.92924e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159952578358 (3.08684e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159951443056 (4.67364e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159950151545 (5.3167e-08% change) linmin: converged after 22 iterations. iteration 564: trace = 2.429159949375478 (3.1948e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159948162482 (4.99348e-08% change) linmin: converged after 4 iterations. iteration 566: trace = 2.4291599472449 (3.77736e-08% change) linmin: converged after 4 iterations. iteration 567: trace = 2.429159945643833 (6.59103e-08% change) linmin: converged after 5 iterations. iteration 568: trace = 2.429159943403913 (9.22097e-08% change) linmin: converged after 8 iterations. iteration 569: trace = 2.42915994270143 (2.89188e-08% change) large trace change predicted (8.76938e-08%) linmin: converged after 26 iterations. iteration 570: trace = 2.429159940571244 (8.76923e-08% change) linmin: converged after 4 iterations. iteration 571: trace = 2.429159938341358 (9.17966e-08% change) linmin: converged after 2 iterations. iteration 572: trace = 2.429159937434698 (3.7324e-08% change) large trace change predicted (1.16727e-07%) linmin: converged after 7 iterations. iteration 573: trace = 2.429159934599276 (1.16724e-07% change) linmin: converged after 11 iterations. iteration 574: trace = 2.429159932015457 (1.06367e-07% change) linmin: converged after 6 iterations. iteration 575: trace = 2.429159931189711 (3.39931e-08% change) large trace change predicted (8.44899e-08%) linmin: converged after 4 iterations. iteration 576: trace = 2.429159929137369 (8.44877e-08% change) linmin: converged after 9 iterations. iteration 577: trace = 2.429159927564719 (6.47405e-08% change) linmin: converged after 11 iterations. iteration 578: trace = 2.429159926618487 (3.89531e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159925434069 (4.87583e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159924270412 (4.79037e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159923930551 (1.39909e-08% change) large trace change predicted (3.59666e-08%) linmin: converged after 19 iterations. iteration 582: trace = 2.429159923056868 (3.59665e-08% change) linmin: converged after 4 iterations. iteration 583: trace = 2.429159922883604 (7.13267e-09% change) large trace change predicted (1.89981e-08%) linmin: converged after 6 iterations. iteration 584: trace = 2.429159922422107 (1.89982e-08% change) linmin: converged after 4 iterations. iteration 585: trace = 2.42915992158914 (3.42903e-08% change) linmin: converged after 38 iterations. iteration 586: trace = 2.42915992139257 (8.09211e-09% change) large trace change predicted (4.54423e-08%) linmin: converged after 15 iterations. iteration 587: trace = 2.429159920288687 (4.5443e-08% change) linmin: converged after 4 iterations. iteration 588: trace = 2.429159919525869 (3.14026e-08% change) linmin: converged after 22 iterations. iteration 589: trace = 2.429159918945448 (2.38939e-08% change) large trace change predicted (7.26257e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159917181199 (7.26279e-08% change) linmin: converged after 6 iterations. iteration 591: trace = 2.429159915582289 (6.58215e-08% change) linmin: converged after 7 iterations. iteration 592: trace = 2.429159913632309 (8.02739e-08% change) linmin: converged after 18 iterations. iteration 593: trace = 2.429159913160523 (1.94218e-08% change) large trace change predicted (7.30788e-08%) linmin: converged after 23 iterations. iteration 594: trace = 2.429159911385252 (7.30817e-08% change) linmin: converged after 8 iterations. iteration 595: trace = 2.429159910327386 (4.35486e-08% change) linmin: converged after 6 iterations. iteration 596: trace = 2.429159909261152 (4.38931e-08% change) linmin: converged after 9 iterations. iteration 597: trace = 2.429159908063157 (4.93173e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159907270598 (3.26268e-08% change) linmin: converged after 4 iterations. iteration 599: trace = 2.429159906645621 (2.57281e-08% change) linmin: converged after 19 iterations. iteration 600: trace = 2.429159905508479 (4.68121e-08% change) linmin: converged after 10 iterations. iteration 601: trace = 2.429159905267895 (9.904e-09% change) large trace change predicted (2.6928e-08%) linmin: converged after 4 iterations. iteration 602: trace = 2.429159904613762 (2.69284e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159903878265 (3.02778e-08% change) linmin: converged after 3 iterations. iteration 604: trace = 2.429159903713339 (6.78944e-09% change) large trace change predicted (2.14492e-08%) linmin: converged after 5 iterations. iteration 605: trace = 2.429159903192303 (2.14492e-08% change) linmin: converged after 19 iterations. iteration 606: trace = 2.429159902932113 (1.07111e-08% change) linmin: converged after 17 iterations. iteration 607: trace = 2.429159902765158 (6.87297e-09% change) large trace change predicted (3.11253e-08%) linmin: converged after 3 iterations. iteration 608: trace = 2.429159902009078 (3.11251e-08% change) linmin: converged after 8 iterations. iteration 609: trace = 2.429159901481877 (2.1703e-08% change) linmin: converged after 17 iterations. iteration 610: trace = 2.429159900588093 (3.67939e-08% change) linmin: converged after 4 iterations. iteration 611: trace = 2.42915989927498 (5.40563e-08% change) linmin: converged after 4 iterations. iteration 612: trace = 2.42915989861517 (2.7162e-08% change) large trace change predicted (5.86787e-08%) linmin: converged after 3 iterations. iteration 613: trace = 2.42915989718979 (5.86779e-08% change) linmin: converged after 8 iterations. iteration 614: trace = 2.429159895493415 (6.98338e-08% change) linmin: converged after 18 iterations. iteration 615: trace = 2.429159894934415 (2.30121e-08% change) large trace change predicted (5.43398e-08%) linmin: converged after 6 iterations. iteration 616: trace = 2.429159893614428 (5.43392e-08% change) linmin: converged after 11 iterations. iteration 617: trace = 2.429159892495774 (4.60511e-08% change) linmin: converged after 10 iterations. iteration 618: trace = 2.429159892304168 (7.88774e-09% change) large trace change predicted (3.69638e-08%) linmin: converged after 8 iterations. iteration 619: trace = 2.429159891406282 (3.69628e-08% change) linmin: converged after 4 iterations. iteration 620: trace = 2.429159890950887 (1.8747e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159890060528 (3.6653e-08% change) linmin: converged after 15 iterations. iteration 622: trace = 2.429159889869549 (7.86196e-09% change) large trace change predicted (2.69517e-08%) linmin: converged after 4 iterations. iteration 623: trace = 2.429159889214849 (2.69517e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.42915988888567 (1.35511e-08% change) linmin: converged after 3 iterations. iteration 625: trace = 2.429159888529328 (1.46694e-08% change) linmin: converged after 2 iterations. iteration 626: trace = 2.42915988800726 (2.14917e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159887835717 (7.0618e-09% change) large trace change predicted (1.67644e-08%) linmin: converged after 21 iterations. iteration 628: trace = 2.42915988742849 (1.67641e-08% change) large trace change predicted (1.49533e-07%) linmin: converged after 3 iterations. iteration 629: trace = 2.429159883796028 (1.49536e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.429159883038646 (3.11788e-08% change) linmin: converged after 4 iterations. iteration 631: trace = 2.429159881622925 (5.82803e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159881236958 (1.58889e-08% change) linmin: converged after 4 iterations. iteration 633: trace = 2.429159880753894 (1.98861e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159880061657 (2.8497e-08% change) linmin: converged after 7 iterations. iteration 635: trace = 2.429159879702636 (1.47796e-08% change) linmin: converged after 6 iterations. iteration 636: trace = 2.429159879341687 (1.4859e-08% change) linmin: converged after 6 iterations. iteration 637: trace = 2.429159879034207 (1.26579e-08% change) linmin: converged after 31 iterations. iteration 638: trace = 2.429159878958209 (3.12858e-09% change) large trace change predicted (1.65259e-08%) linmin: converged after 6 iterations. iteration 639: trace = 2.429159878556769 (1.65259e-08% change) linmin: converged after 3 iterations. iteration 640: trace = 2.429159878234658 (1.32602e-08% change) linmin: converged after 11 iterations. iteration 641: trace = 2.42915987803354 (8.27933e-09% change) linmin: converged after 16 iterations. iteration 642: trace = 2.429159877639404 (1.62252e-08% change) linmin: converged after 12 iterations. iteration 643: trace = 2.429159877048272 (2.43348e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159876730426 (1.30846e-08% change) large trace change predicted (2.97486e-08%) linmin: converged after 4 iterations. iteration 645: trace = 2.429159876007781 (2.97488e-08% change) linmin: converged after 27 iterations. iteration 646: trace = 2.42915987547254 (2.2034e-08% change) linmin: converged after 6 iterations. iteration 647: trace = 2.429159875129366 (1.41273e-08% change) linmin: converged after 9 iterations. iteration 648: trace = 2.429159874455769 (2.77296e-08% change) linmin: converged after 5 iterations. iteration 649: trace = 2.42915987404839 (1.67704e-08% change) linmin: converged after 2 iterations. iteration 650: trace = 2.429159873754049 (1.2117e-08% change) large trace change predicted (2.64427e-08%) linmin: converged after 2 iterations. iteration 651: trace = 2.429159873111707 (2.6443e-08% change) linmin: converged after 12 iterations. iteration 652: trace = 2.429159872945354 (6.84816e-09% change) large trace change predicted (1.63505e-08%) linmin: converged after 4 iterations. iteration 653: trace = 2.429159872548171 (1.63506e-08% change) linmin: converged after 2 iterations. iteration 654: trace = 2.429159872291909 (1.05494e-08% change) linmin: converged after 14 iterations. iteration 655: trace = 2.429159872142755 (6.14015e-09% change) linmin: converged after 4 iterations. iteration 656: trace = 2.429159872109711 (1.3603e-09% change) large trace change predicted (7.79195e-09%) linmin: converged after 4 iterations. iteration 657: trace = 2.429159871920432 (7.79196e-09% change) linmin: converged after 10 iterations. iteration 658: trace = 2.429159871785886 (5.53879e-09% change) linmin: converged after 4 iterations. iteration 659: trace = 2.429159871654988 (5.38859e-09% change) large trace change predicted (1.08662e-08%) linmin: converged after 7 iterations. iteration 660: trace = 2.429159871391035 (1.08661e-08% change) linmin: converged after 14 iterations. iteration 661: trace = 2.429159871232291 (6.5349e-09% change) large trace change predicted (1.76444e-08%) linmin: converged after 4 iterations. iteration 662: trace = 2.429159870803683 (1.76443e-08% change) linmin: converged after 4 iterations. iteration 663: trace = 2.4291598704218 (1.57208e-08% change) linmin: converged after 8 iterations. iteration 664: trace = 2.429159870020711 (1.65114e-08% change) linmin: converged after 23 iterations. iteration 665: trace = 2.429159869830023 (7.84993e-09% change) large trace change predicted (2.02638e-08%) linmin: converged after 10 iterations. iteration 666: trace = 2.429159869337793 (2.02634e-08% change) linmin: converged after 4 iterations. iteration 667: trace = 2.429159869182738 (6.38306e-09% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159868933933 (1.02424e-08% change) linmin: converged after 11 iterations. iteration 669: trace = 2.429159868515784 (1.72138e-08% change) linmin: converged after 7 iterations. iteration 670: trace = 2.429159868347849 (6.91326e-09% change) large trace change predicted (1.93213e-08%) linmin: converged after 7 iterations. iteration 671: trace = 2.429159867878512 (1.9321e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.429159867572521 (1.25966e-08% change) linmin: converged after 6 iterations. iteration 673: trace = 2.429159867343999 (9.40745e-09% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159867301667 (1.74264e-09% change) large trace change predicted (7.32213e-09%) linmin: converged after 6 iterations. iteration 675: trace = 2.429159867123798 (7.32224e-09% change) linmin: converged after 11 iterations. iteration 676: trace = 2.429159867035079 (3.65226e-09% change) linmin: converged after 8 iterations. iteration 677: trace = 2.429159866976784 (2.39979e-09% change) large trace change predicted (7.8274e-09%) linmin: converged after 2 iterations. iteration 678: trace = 2.429159866786645 (7.82736e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159866748065 (1.58823e-09% change) large trace change predicted (7.75396e-09%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159866559707 (7.75405e-09% change) linmin: converged after 4 iterations. iteration 681: trace = 2.429159866448763 (4.56716e-09% change) linmin: converged after 8 iterations. iteration 682: trace = 2.429159866344309 (4.29998e-09% change) large trace change predicted (9.80644e-09%) linmin: converged after 24 iterations. iteration 683: trace = 2.429159866106096 (9.80639e-09% change) linmin: converged after 4 iterations. iteration 684: trace = 2.429159865737589 (1.51702e-08% change) linmin: converged after 11 iterations. iteration 685: trace = 2.429159865589282 (6.10529e-09% change) large trace change predicted (1.8134e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865148775 (1.81341e-08% change) linmin: converged after 9 iterations. iteration 687: trace = 2.42915986461645 (2.1914e-08% change) linmin: converged after 16 iterations. iteration 688: trace = 2.42915986451461 (4.19241e-09% change) large trace change predicted (1.29238e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.429159864200666 (1.29239e-08% change) linmin: converged after 6 iterations. iteration 690: trace = 2.429159864046436 (6.34914e-09% change) linmin: converged after 7 iterations. iteration 691: trace = 2.429159863975077 (2.93758e-09% change) large trace change predicted (1.13727e-08%) linmin: converged after 19 iterations. iteration 692: trace = 2.429159863698817 (1.13727e-08% change) linmin: converged after 14 iterations. iteration 693: trace = 2.429159863467031 (9.54182e-09% change) linmin: converged after 17 iterations. iteration 694: trace = 2.42915986339394 (3.00889e-09% change) large trace change predicted (9.0694e-09%) linmin: converged after 6 iterations. iteration 695: trace = 2.42915986317363 (9.06941e-09% change) linmin: converged after 7 iterations. iteration 696: trace = 2.429159863067169 (4.38261e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.429159863000426 (2.74758e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159862869274 (5.39907e-09% change) linmin: converged after 15 iterations. iteration 699: trace = 2.429159862841849 (1.129e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159862817324 (1.0096e-09% change) large trace change predicted (4.41441e-09%) linmin: converged after 4 iterations. iteration 701: trace = 2.429159862710093 (4.41433e-09% change) linmin: converged after 7 iterations. iteration 702: trace = 2.429159862671657 (1.58229e-09% change) large trace change predicted (3.42792e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159862588381 (3.42817e-09% change) large trace change predicted (7.0267e-09%) linmin: converged after 5 iterations. iteration 704: trace = 2.429159862417694 (7.02659e-09% change) linmin: converged after 31 iterations. iteration 705: trace = 2.429159862299705 (4.8572e-09% change) linmin: converged after 21 iterations. iteration 706: trace = 2.429159862217822 (3.37083e-09% change) large trace change predicted (9.61264e-09%) linmin: converged after 7 iterations. iteration 707: trace = 2.429159861984319 (9.6125e-09% change) linmin: converged after 5 iterations. iteration 708: trace = 2.429159861910836 (3.02504e-09% change) large trace change predicted (6.39403e-09%) linmin: converged after 5 iterations. iteration 709: trace = 2.429159861755516 (6.39399e-09% change) linmin: converged after 32 iterations. iteration 710: trace = 2.429159861568509 (7.6984e-09% change) linmin: converged after 5 iterations. iteration 711: trace = 2.429159861446432 (5.0255e-09% change) linmin: converged after 5 iterations. iteration 712: trace = 2.4291598613165 (5.34883e-09% change) large trace change predicted (1.40112e-08%) linmin: converged after 4 iterations. iteration 713: trace = 2.429159860976155 (1.40108e-08% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159860905781 (2.89705e-09% change) large trace change predicted (1.26274e-08%) linmin: converged after 6 iterations. iteration 715: trace = 2.429159860599047 (1.26271e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.42915986043266 (6.84958e-09% change) linmin: converged after 9 iterations. iteration 717: trace = 2.429159860391763 (1.68357e-09% change) large trace change predicted (4.29243e-09%) linmin: converged after 17 iterations. iteration 718: trace = 2.429159860287493 (4.29246e-09% change) linmin: converged after 8 iterations. iteration 719: trace = 2.42915986019017 (4.00645e-09% change) linmin: converged after 13 iterations. iteration 720: trace = 2.429159860169502 (8.50807e-10% change) large trace change predicted (2.70274e-09%) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860103848 (2.70275e-09% change) linmin: converged after 15 iterations. iteration 722: trace = 2.429159860054798 (2.01922e-09% change) linmin: converged after 7 iterations. iteration 723: trace = 2.429159860031161 (9.73056e-10% change) large trace change predicted (3.96993e-09%) linmin: converged after 6 iterations. iteration 724: trace = 2.429159859934724 (3.96996e-09% change) linmin: converged after 15 iterations. iteration 725: trace = 2.429159859900426 (1.41192e-09% change) linmin: converged after 16 iterations. iteration 726: trace = 2.429159859833863 (2.74017e-09% change) linmin: converged after 4 iterations. iteration 727: trace = 2.429159859717016 (4.81018e-09% change) linmin: converged after 5 iterations. iteration 728: trace = 2.429159859612486 (4.30312e-09% change) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859518859 (3.85433e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859344885 (7.16187e-09% change) linmin: converged after 33 iterations. iteration 731: trace = 2.429159859160336 (7.59725e-09% change) linmin: converged after 14 iterations. iteration 732: trace = 2.429159859108275 (2.14317e-09% change) large trace change predicted (5.2769e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.42915985898009 (5.27695e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159858883916 (3.95912e-09% change) linmin: converged after 19 iterations. iteration 735: trace = 2.429159858817774 (2.72286e-09% change) linmin: converged after 25 iterations. iteration 736: trace = 2.429159858694342 (5.08124e-09% change) linmin: converged after 8 iterations. iteration 737: trace = 2.429159858540137 (6.3481e-09% change) linmin: converged after 19 iterations. iteration 738: trace = 2.429159858509353 (1.26726e-09% change) large trace change predicted (3.66781e-09%) linmin: converged after 19 iterations. iteration 739: trace = 2.429159858420257 (3.66775e-09% change) linmin: converged after 18 iterations. iteration 740: trace = 2.429159858389306 (1.27417e-09% change) linmin: converged after 15 iterations. iteration 741: trace = 2.429159858356002 (1.37099e-09% change) linmin: converged after 5 iterations. iteration 742: trace = 2.42915985830757 (1.99377e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858285608 (9.04098e-10% change) linmin: converged after 16 iterations. iteration 744: trace = 2.429159858267683 (7.37918e-10% change) large trace change predicted (2.52462e-09%) linmin: converged after 5 iterations. iteration 745: trace = 2.429159858206351 (2.52483e-09% change) linmin: converged after 7 iterations. iteration 746: trace = 2.42915985819415 (5.02269e-10% change) large trace change predicted (4.06531e-09%) linmin: converged after 16 iterations. iteration 747: trace = 2.429159858095398 (4.06526e-09% change) linmin: converged after 4 iterations. iteration 748: trace = 2.429159858022407 (3.0048e-09% change) large trace change predicted (6.3672e-09%) linmin: converged after 9 iterations. iteration 749: trace = 2.429159857867736 (6.36724e-09% change) linmin: converged after 16 iterations. iteration 750: trace = 2.429159857827281 (1.6654e-09% change) large trace change predicted (6.23167e-09%) linmin: converged after 6 iterations. iteration 751: trace = 2.429159857675906 (6.23157e-09% change) linmin: converged after 6 iterations. iteration 752: trace = 2.429159857563191 (4.64011e-09% change) linmin: converged after 6 iterations. iteration 753: trace = 2.429159857502253 (2.50856e-09% change) large trace change predicted (5.60543e-09%) linmin: converged after 24 iterations. iteration 754: trace = 2.429159857366087 (5.6055e-09% change) linmin: converged after 6 iterations. iteration 755: trace = 2.429159857333167 (1.35518e-09% change) large trace change predicted (3.08164e-09%) linmin: converged after 2 iterations. iteration 756: trace = 2.429159857258312 (3.08155e-09% change) linmin: converged after 7 iterations. iteration 757: trace = 2.429159857196233 (2.55557e-09% change) linmin: converged after 18 iterations. iteration 758: trace = 2.429159857139626 (2.3303e-09% change) linmin: converged after 22 iterations. iteration 759: trace = 2.429159857098365 (1.6986e-09% change) linmin: converged after 16 iterations. iteration 760: trace = 2.429159857034882 (2.61335e-09% change) linmin: converged after 4 iterations. iteration 761: trace = 2.429159857016957 (7.37918e-10% change) linmin: converged after 4 iterations. iteration 762: trace = 2.429159856987269 (1.22216e-09% change) linmin: converged after 17 iterations. iteration 763: trace = 2.429159856932958 (2.23578e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985691513 (7.33896e-10% change) large trace change predicted (3.37889e-09%) linmin: converged after 6 iterations. iteration 765: trace = 2.429159856833055 (3.37875e-09% change) linmin: converged after 12 iterations. iteration 766: trace = 2.429159856776765 (2.31725e-09% change) linmin: converged after 7 iterations. iteration 767: trace = 2.429159856742263 (1.42033e-09% change) large trace change predicted (6.3265e-09%) linmin: converged after 2 iterations. iteration 768: trace = 2.429159856588583 (6.32649e-09% change) linmin: converged after 5 iterations. iteration 769: trace = 2.429159856521711 (2.75286e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 770: trace = 2.429159856465041 (2.33293e-09% change) linmin: converged after 5 iterations. iteration 771: trace = 2.429159856358117 (4.40166e-09% change) linmin: converged after 28 iterations. iteration 772: trace = 2.429159856321537 (1.50587e-09% change) linmin: converged after 29 iterations. iteration 773: trace = 2.429159856298917 (9.31173e-10% change) large trace change predicted (3.32488e-09%) linmin: converged after 14 iterations. iteration 774: trace = 2.42915985621815 (3.32493e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856197543 (8.48284e-10% change) large trace change predicted (2.18775e-09%) linmin: converged after 3 iterations. iteration 776: trace = 2.429159856144396 (2.18789e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.429159856113923 (1.25446e-09% change) linmin: converged after 4 iterations. iteration 778: trace = 2.429159856105955 (3.28008e-10% change) large trace change predicted (1.34596e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856073258 (1.34604e-09% change) linmin: converged after 9 iterations. iteration 780: trace = 2.429159856046637 (1.09591e-09% change) linmin: converged after 3 iterations. iteration 781: trace = 2.429159856034334 (5.06455e-10% change) large trace change predicted (1.81928e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.429159855990141 (1.81926e-09% change) linmin: converged after 19 iterations. iteration 783: trace = 2.429159855942319 (1.96869e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159855917947 (1.00328e-09% change) large trace change predicted (2.94489e-09%) linmin: converged after 5 iterations. iteration 785: trace = 2.429159855846413 (2.94484e-09% change) linmin: converged after 17 iterations. iteration 786: trace = 2.429159855807143 (1.61659e-09% change) linmin: converged after 18 iterations. iteration 787: trace = 2.429159855781426 (1.05871e-09% change) large trace change predicted (4.05376e-09%) linmin: converged after 4 iterations. iteration 788: trace = 2.429159855682951 (4.05385e-09% change) linmin: converged after 18 iterations. iteration 789: trace = 2.429159855659141 (9.80186e-10% change) large trace change predicted (2.23559e-09%) linmin: converged after 7 iterations. iteration 790: trace = 2.429159855604836 (2.23555e-09% change) linmin: converged after 17 iterations. iteration 791: trace = 2.429159855555326 (2.03816e-09% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855544709 (4.3704e-10% change) large trace change predicted (1.50107e-09%) linmin: converged after 28 iterations. iteration 793: trace = 2.429159855508243 (1.50118e-09% change) linmin: converged after 17 iterations. iteration 794: trace = 2.429159855487035 (8.73056e-10% change) linmin: converged after 9 iterations. iteration 795: trace = 2.429159855460267 (1.10194e-09% change) linmin: converged after 10 iterations. iteration 796: trace = 2.429159855457197 (1.26381e-10% change) large trace change predicted (8.69335e-10%) linmin: converged after 23 iterations. iteration 797: trace = 2.429159855436085 (8.69125e-10% change) linmin: converged after 4 iterations. iteration 798: trace = 2.429159855425723 (4.26583e-10% change) linmin: converged after 11 iterations. iteration 799: trace = 2.429159855418599 (2.93255e-10% change) large trace change predicted (1.01055e-09%) linmin: converged after 9 iterations. iteration 800: trace = 2.429159855394055 (1.01037e-09% change) linmin: converged after 23 iterations. iteration 801: trace = 2.429159855354492 (1.62869e-09% change) linmin: converged after 4 iterations. iteration 802: trace = 2.429159855339087 (6.3417e-10% change) large trace change predicted (1.58762e-09%) linmin: converged after 27 iterations. iteration 803: trace = 2.429159855300523 (1.58756e-09% change) linmin: converged after 26 iterations. iteration 804: trace = 2.429159855239667 (2.5052e-09% change) linmin: converged after 19 iterations. iteration 805: trace = 2.429159855229303 (4.26674e-10% change) large trace change predicted (1.60593e-09%) linmin: converged after 7 iterations. iteration 806: trace = 2.429159855190296 (1.60578e-09% change) linmin: converged after 9 iterations. iteration 807: trace = 2.429159855164364 (1.06752e-09% change) linmin: converged after 4 iterations. iteration 808: trace = 2.4291598551539 (4.30769e-10% change) large trace change predicted (1.9215e-09%) linmin: converged after 30 iterations. iteration 809: trace = 2.429159855107222 (1.92156e-09% change) linmin: converged after 25 iterations. iteration 810: trace = 2.429159855072568 (1.42659e-09% change) linmin: converged after 19 iterations. iteration 811: trace = 2.429159855051487 (8.67827e-10% change) linmin: converged after 5 iterations. iteration 812: trace = 2.429159855019166 (1.33055e-09% change) linmin: converged after 4 iterations. iteration 813: trace = 2.42915985500638 (5.26345e-10% change) linmin: converged after 18 iterations. iteration 814: trace = 2.429159854993845 (5.16035e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159854979437 (5.93128e-10% change) linmin: converged after 3 iterations. iteration 816: trace = 2.42915985497046 (3.69526e-10% change) linmin: converged after 15 iterations. iteration 817: trace = 2.429159854962464 (3.29178e-10% change) large trace change predicted (6.97686e-10%) linmin: converged after 3 iterations. iteration 818: trace = 2.429159854945522 (6.97461e-10% change) linmin: converged after 18 iterations. iteration 819: trace = 2.429159854942891 (1.083e-10% change) large trace change predicted (6.75402e-10%) linmin: converged after 3 iterations. iteration 820: trace = 2.429159854926489 (6.75194e-10% change) linmin: converged after 12 iterations. iteration 821: trace = 2.429159854914258 (5.03512e-10% change) linmin: converged after 18 iterations. iteration 822: trace = 2.429159854909535 (1.94425e-10% change) large trace change predicted (1.18364e-09%) linmin: converged after 12 iterations. iteration 823: trace = 2.429159854880787 (1.18348e-09% change) linmin: converged after 12 iterations. iteration 824: trace = 2.429159854858846 (9.03221e-10% change) linmin: converged after 15 iterations. iteration 825: trace = 2.429159854831322 (1.13306e-09% change) linmin: converged after 6 iterations. iteration 826: trace = 2.429159854791128 (1.65465e-09% change) linmin: converged after 7 iterations. iteration 827: trace = 2.429159854748298 (1.76317e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854717928 (1.25024e-09% change) linmin: converged after 6 iterations. iteration 829: trace = 2.429159854700446 (7.19655e-10% change) linmin: converged after 21 iterations. iteration 830: trace = 2.429159854684589 (6.52781e-10% change) linmin: converged after 4 iterations. iteration 831: trace = 2.429159854656265 (1.166e-09% change) linmin: converged after 17 iterations. iteration 832: trace = 2.429159854650829 (2.23803e-10% change) large trace change predicted (1.01319e-09%) linmin: converged after 7 iterations. iteration 833: trace = 2.429159854626223 (1.01295e-09% change) linmin: converged after 4 iterations. iteration 834: trace = 2.42915985460857 (7.26675e-10% change) linmin: converged after 3 iterations. iteration 835: trace = 2.429159854601671 (2.84041e-10% change) linmin: converged after 14 iterations. iteration 836: trace = 2.429159854589374 (5.06217e-10% change) linmin: converged after 3 iterations. iteration 837: trace = 2.429159854584687 (1.92926e-10% change) linmin: converged after 2 iterations. iteration 838: trace = 2.429159854576523 (3.36107e-10% change) linmin: converged after 16 iterations. iteration 839: trace = 2.429159854568384 (3.35047e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.42915985456455 (1.57825e-10% change) linmin: converged after 4 iterations. iteration 841: trace = 2.429159854559047 (2.26546e-10% change) linmin: converged after 3 iterations. iteration 842: trace = 2.429159854550802 (3.39398e-10% change) linmin: converged after 19 iterations. iteration 843: trace = 2.429159854547918 (1.18721e-10% change) large trace change predicted (4.5065e-10%) linmin: converged after 3 iterations. iteration 844: trace = 2.429159854536973 (4.50605e-10% change) linmin: converged after 24 iterations. iteration 845: trace = 2.429159854522967 (5.76547e-10% change) linmin: converged after 6 iterations. iteration 846: trace = 2.429159854517335 (2.31865e-10% change) large trace change predicted (9.61058e-10%) linmin: converged after 12 iterations. iteration 847: trace = 2.429159854493989 (9.61064e-10% change) linmin: converged after 10 iterations. iteration 848: trace = 2.42915985448577 (3.38338e-10% change) linmin: converged after 6 iterations. iteration 849: trace = 2.429159854473306 (5.1311e-10% change) linmin: converged after 4 iterations. iteration 850: trace = 2.429159854457098 (6.67223e-10% change) linmin: converged after 4 iterations. iteration 851: trace = 2.429159854447013 (4.15175e-10% change) linmin: converged after 22 iterations. iteration 852: trace = 2.429159854430041 (6.98668e-10% change) linmin: converged after 4 iterations. iteration 853: trace = 2.429159854401489 (1.17538e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.429159854394316 (2.95321e-10% change) large trace change predicted (1.01136e-09%) linmin: converged after 4 iterations. iteration 855: trace = 2.429159854369746 (1.01145e-09% change) linmin: converged after 15 iterations. iteration 856: trace = 2.429159854356542 (5.43548e-10% change) linmin: converged after 11 iterations. iteration 857: trace = 2.429159854344461 (4.97351e-10% change) linmin: converged after 8 iterations. iteration 858: trace = 2.429159854327901 (6.81702e-10% change) linmin: converged after 6 iterations. iteration 859: trace = 2.429159854322308 (2.30257e-10% change) linmin: converged after 3 iterations. iteration 860: trace = 2.429159854318657 (1.50275e-10% change) linmin: converged after 9 iterations. iteration 861: trace = 2.429159854311619 (2.89745e-10% change) linmin: converged after 6 iterations. iteration 862: trace = 2.429159854304627 (2.87825e-10% change) linmin: converged after 18 iterations. iteration 863: trace = 2.429159854303058 (6.45889e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 72.6601951122284 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380124304858 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422813957853151 (0.435162% change) linmin: converged after 3 iterations. iteration 3: trace = 2.410436460818315 (0.512181% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737472281081 (0.23671% change) linmin: converged after 3 iterations. iteration 5: trace = 2.402921431695999 (0.0755478% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560348970514 (0.0566589% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273601112772 (0.0119408% change) large trace change predicted (0.0255597%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660422396954 (0.0255388% change) linmin: converged after 5 iterations. iteration 9: trace = 2.400394211407274 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303524499693 (0.00377807% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130152425029 (0.00722318% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008392599004 (0.00507318% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912583051916 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.39966612549191 (0.01027% change) linmin: converged after 3 iterations. iteration 15: trace = 2.39955686513503 (0.00455325% change) linmin: converged after 4 iterations. iteration 16: trace = 2.39937188603231 (0.00770918% change) linmin: converged after 4 iterations. iteration 17: trace = 2.399289072781011 (0.00345151% change) large trace change predicted (0.00782297%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101348936375 (0.00782445% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879563092243 (0.00924497% change) linmin: converged after 5 iterations. iteration 20: trace = 2.398649870205137 (0.00957547% change) large trace change predicted (0.0239454%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075268259338 (0.0239581% change) linmin: converged after 5 iterations. iteration 22: trace = 2.397887110182702 (0.00784652% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522294775239 (0.0152152% change) linmin: converged after 3 iterations. iteration 24: trace = 2.397281812088585 (0.010031% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981261499935 (0.0125379% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715626520207 (0.0110827% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618613907926 (0.00404781% change) large trace change predicted (0.0090078%) linmin: converged after 3 iterations. iteration 28: trace = 2.396402847978432 (0.00900334% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349175741548 (0.00223973% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256438116035 (0.00387003% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207645812547 (0.00203621% change) linmin: converged after 3 iterations. iteration 32: trace = 2.396167649113405 (0.00166918% change) large trace change predicted (0.00396802%) linmin: converged after 3 iterations. iteration 33: trace = 2.396072575763294 (0.0039678% change) linmin: converged after 14 iterations. iteration 34: trace = 2.396038774671857 (0.0014107% change) large trace change predicted (0.00652603%) linmin: converged after 12 iterations. iteration 35: trace = 2.395882463430421 (0.00652395% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832662700395 (0.00207862% change) large trace change predicted (0.00897499%) linmin: converged after 4 iterations. iteration 37: trace = 2.39561764812327 (0.00897493% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533905922083 (0.0034957% change) large trace change predicted (0.00705095%) linmin: converged after 4 iterations. iteration 39: trace = 2.39536495615372 (0.00705295% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255837403923 (0.00455552% change) linmin: converged after 5 iterations. iteration 41: trace = 2.395086666506282 (0.007063% change) linmin: converged after 7 iterations. iteration 42: trace = 2.395028266342813 (0.00243836% change) large trace change predicted (0.00633162%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876564762501 (0.00633422% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823822640608 (0.00220231% change) large trace change predicted (0.00784706%) linmin: converged after 4 iterations. iteration 45: trace = 2.39463588748624 (0.00784786% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551771201341 (0.00351276% change) large trace change predicted (0.00730796%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376648056848 (0.00731367% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320482220912 (0.00234577% change) large trace change predicted (0.00692652%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154609450363 (0.006928% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120835153223 (0.00141071% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082495560068 (0.00160142% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061913868271 (0.000859694% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035881744374 (0.00108737% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025507486848 (0.000433339% change) large trace change predicted (0.0010626%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000059486189 (0.00106299% change) linmin: converged after 5 iterations. iteration 56: trace = 2.393990088808856 (0.000416487% change) large trace change predicted (0.00146991%) linmin: converged after 3 iterations. iteration 57: trace = 2.393954902035357 (0.00146981% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941205589446 (0.000572128% change) large trace change predicted (0.00230758%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885961363607 (0.0023077% change) linmin: converged after 7 iterations. iteration 60: trace = 2.393857234377875 (0.00120002% change) large trace change predicted (0.0035278%) linmin: converged after 8 iterations. iteration 61: trace = 2.393772843716319 (0.00352536% change) linmin: converged after 4 iterations. iteration 62: trace = 2.393670914591524 (0.00425819% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605496480592 (0.002733% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393487963094304 (0.00491043% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448290672057 (0.00165753% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405497798788 (0.00178793% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393388072851804 (0.000728043% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359854223333 (0.00117903% change) linmin: converged after 4 iterations. iteration 69: trace = 2.393348483527521 (0.000475095% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343837015129 (0.000194143% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336363523268 (0.000312262% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333598170835 (0.000115544% change) linmin: converged after 3 iterations. iteration 73: trace = 2.393329150054836 (0.000185855% change) large trace change predicted (0.000414728%) linmin: converged after 4 iterations. iteration 74: trace = 2.39331922399139 (0.00041474% change) linmin: converged after 5 iterations. iteration 75: trace = 2.39331596569077 (0.000136142% change) large trace change predicted (0.000439215%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305453764279 (0.000439221% change) linmin: converged after 6 iterations. iteration 77: trace = 2.393296687312429 (0.000366291% change) linmin: converged after 4 iterations. iteration 78: trace = 2.39329144496132 (0.000219043% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393281124540538 (0.000431224% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393276815440569 (0.00018005% change) large trace change predicted (0.000404501%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267130640572 (0.000404668% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257359773369 (0.000408266% change) large trace change predicted (0.000854188%) linmin: converged after 4 iterations. iteration 83: trace = 2.3932369192801 (0.00085409% change) linmin: converged after 5 iterations. iteration 84: trace = 2.393229557837127 (0.000307594% change) large trace change predicted (0.00100509%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205497878049 (0.00100534% change) linmin: converged after 6 iterations. iteration 86: trace = 2.39319866014741 (0.000285715% change) large trace change predicted (0.000600605%) linmin: converged after 7 iterations. iteration 87: trace = 2.393184288761997 (0.000600511% change) linmin: converged after 5 iterations. iteration 88: trace = 2.393180115500064 (0.000174381% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172859481532 (0.000303196% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169669565756 (0.000133292% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393167343778703 (9.71844e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163700408488 (0.000152241% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162870254576 (3.46886e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 2.393161240938619 (6.80821e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159489493315 (7.31855e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 2.393158673817102 (3.40837e-05% change) large trace change predicted (8.56565e-05%) linmin: converged after 4 iterations. iteration 97: trace = 2.393156623982363 (8.5654e-05% change) linmin: converged after 5 iterations. iteration 98: trace = 2.393155251294039 (5.73589e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393154249135244 (4.18761e-05% change) large trace change predicted (0.000112009%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151568307313 (0.000112021% change) linmin: converged after 3 iterations. iteration 101: trace = 2.393149956347883 (6.73572e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393149015277626 (3.93235e-05% change) large trace change predicted (0.000107678%) linmin: converged after 5 iterations. iteration 103: trace = 2.393146438660454 (0.000107666% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393144081994803 (9.84757e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.39314308725204 (4.15664e-05% change) linmin: converged after 5 iterations. iteration 106: trace = 2.39314123328104 (7.74702e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138508263703 (0.000113868% change) linmin: converged after 3 iterations. iteration 108: trace = 2.393137240529313 (5.29737e-05% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393135806331574 (5.99296e-05% change) large trace change predicted (0.000129686%) linmin: converged after 3 iterations. iteration 110: trace = 2.393132703114377 (0.000129672% change) linmin: converged after 4 iterations. iteration 111: trace = 2.393130663063717 (8.52461e-05% change) linmin: converged after 2 iterations. iteration 112: trace = 2.393129702053291 (4.0157e-05% change) linmin: converged after 6 iterations. iteration 113: trace = 2.393127897284498 (7.54146e-05% change) linmin: converged after 2 iterations. iteration 114: trace = 2.393124696485005 (0.00013375% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122847811564 (7.72494e-05% change) linmin: converged after 2 iterations. iteration 116: trace = 2.393121444970771 (5.86197e-05% change) large trace change predicted (0.000135312%) linmin: converged after 4 iterations. iteration 117: trace = 2.393118206905052 (0.000135307% change) linmin: converged after 4 iterations. iteration 118: trace = 2.393114161332663 (0.00016905% change) linmin: converged after 6 iterations. iteration 119: trace = 2.393112369885688 (7.48584e-05% change) linmin: converged after 3 iterations. iteration 120: trace = 2.393110881531944 (6.21932e-05% change) large trace change predicted (0.000132911%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107700593636 (0.000132921% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104608047903 (0.000129227% change) linmin: converged after 5 iterations. iteration 123: trace = 2.393103244517627 (5.69775e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.393101749584581 (6.24684e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.39309881874507 (0.00012247% change) linmin: converged after 4 iterations. iteration 126: trace = 2.393096741782611 (8.67897e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 2.393095822111325 (3.84302e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 2.39309447002076 (5.64997e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393092157224396 (9.66446e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090972916624 (4.94886e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.393090426793293 (2.28208e-05% change) linmin: converged after 5 iterations. iteration 132: trace = 2.393089501967232 (3.86457e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.393088413822471 (4.54703e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 2.393088020957876 (1.64166e-05% change) linmin: converged after 4 iterations. iteration 135: trace = 2.393087780942407 (1.00295e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087334153206 (1.867e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.39308697399356 (1.505e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086796042441 (7.43605e-06% change) linmin: converged after 2 iterations. iteration 139: trace = 2.39308644358759 (1.4728e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085964419358 (2.0023e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.39308558578386 (1.58221e-05% change) large trace change predicted (3.70996e-05%) linmin: converged after 2 iterations. iteration 142: trace = 2.393084697946854 (3.71001e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083967712773 (3.05143e-05% change) large trace change predicted (9.09158e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081791888724 (9.09214e-05% change) linmin: converged after 4 iterations. iteration 145: trace = 2.393081047511928 (3.11054e-05% change) large trace change predicted (9.54116e-05%) linmin: converged after 2 iterations. iteration 146: trace = 2.393078764001862 (9.54214e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.393076685508733 (8.68544e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.393075978680122 (2.95364e-05% change) large trace change predicted (7.78024e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.393074116903839 (7.77985e-05% change) linmin: converged after 4 iterations. iteration 150: trace = 2.393073006262979 (4.64106e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.393072409379019 (2.49422e-05% change) large trace change predicted (6.27636e-05%) linmin: converged after 2 iterations. iteration 152: trace = 2.393070907251873 (6.27698e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.393070514675967 (1.64047e-05% change) large trace change predicted (4.71186e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393069387069712 (4.71197e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393069064685406 (1.34716e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 2.393068498408129 (2.36632e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067869936071 (2.62622e-05% change) linmin: converged after 5 iterations. iteration 158: trace = 2.393067640499179 (9.58756e-06% change) large trace change predicted (2.99995e-05%) linmin: converged after 4 iterations. iteration 159: trace = 2.393066922607111 (2.99988e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.393066760488533 (6.77451e-06% change) large trace change predicted (2.34839e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.393066198531526 (2.34827e-05% change) linmin: converged after 2 iterations. iteration 162: trace = 2.393065959542484 (9.98673e-06% change) large trace change predicted (3.04881e-05%) linmin: converged after 19 iterations. iteration 163: trace = 2.393065229947614 (3.04879e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.393064297196831 (3.89772e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063832751709 (1.9408e-05% change) large trace change predicted (9.00171e-05%) linmin: converged after 2 iterations. iteration 166: trace = 2.393061678473331 (9.00218e-05% change) linmin: converged after 5 iterations. iteration 167: trace = 2.393061021480222 (2.74541e-05% change) large trace change predicted (0.000104522%) linmin: converged after 2 iterations. iteration 168: trace = 2.393058520143947 (0.000104525% change) linmin: converged after 24 iterations. iteration 169: trace = 2.393057709799858 (3.38623e-05% change) large trace change predicted (7.10287e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393056009967242 (7.10319e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.393055120382709 (3.71736e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.39305443009403 (2.88455e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.393053481007506 (3.96601e-05% change) linmin: converged after 4 iterations. iteration 174: trace = 2.393053249749623 (9.66372e-06% change) large trace change predicted (3.40476e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.393052435010141 (3.4046e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.393052257800338 (7.40518e-06% change) large trace change predicted (2.80986e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.393051585401067 (2.8098e-05% change) linmin: converged after 2 iterations. iteration 178: trace = 2.393051363984962 (9.25246e-06% change) linmin: converged after 3 iterations. iteration 179: trace = 2.393051107935718 (1.06997e-05% change) linmin: converged after 2 iterations. iteration 180: trace = 2.393050898043621 (8.7709e-06% change) linmin: converged after 21 iterations. iteration 181: trace = 2.393050814413328 (3.49471e-06% change) linmin: converged after 3 iterations. iteration 182: trace = 2.39305067552257 (5.80392e-06% change) linmin: converged after 6 iterations. iteration 183: trace = 2.393050623327516 (2.18111e-06% change) large trace change predicted (9.06864e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.393050406299146 (9.06911e-06% change) linmin: converged after 5 iterations. iteration 185: trace = 2.393050207172795 (8.32103e-06% change) large trace change predicted (2.73197e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049553444872 (2.73178e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393049227524117 (1.36195e-05% change) large trace change predicted (3.88734e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.393048297279782 (3.88728e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.393047699063402 (2.49981e-05% change) large trace change predicted (5.02132e-05%) linmin: converged after 4 iterations. iteration 190: trace = 2.393046497495106 (5.02108e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045748889198 (3.12826e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044915937652 (3.48072e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044047539084 (3.62884e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.393043875749431 (7.17871e-06% change) large trace change predicted (1.50576e-05%) linmin: converged after 2 iterations. iteration 195: trace = 2.393043515402682 (1.50581e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.393043462927638 (2.19282e-06% change) large trace change predicted (4.43053e-06%) linmin: converged after 2 iterations. iteration 197: trace = 2.393043356901575 (4.4306e-06% change) linmin: converged after 5 iterations. iteration 198: trace = 2.393043311784036 (1.88536e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043276761168 (1.46353e-06% change) large trace change predicted (3.49352e-06%) linmin: converged after 2 iterations. iteration 200: trace = 2.393043193159225 (3.49354e-06% change) linmin: converged after 8 iterations. iteration 201: trace = 2.39304316328524 (1.24837e-06% change) large trace change predicted (4.2649e-06%) linmin: converged after 20 iterations. iteration 202: trace = 2.39304306122494 (4.26488e-06% change) linmin: converged after 2 iterations. iteration 203: trace = 2.39304295381029 (4.48862e-06% change) linmin: converged after 3 iterations. iteration 204: trace = 2.39304284163176 (4.68769e-06% change) linmin: converged after 2 iterations. iteration 205: trace = 2.393042696903165 (6.04789e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042617994168 (3.29743e-06% change) linmin: converged after 2 iterations. iteration 207: trace = 2.393042511897021 (4.43357e-06% change) linmin: converged after 2 iterations. iteration 208: trace = 2.393042426723516 (3.55921e-06% change) linmin: converged after 11 iterations. iteration 209: trace = 2.39304230116735 (5.24672e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.393042226468239 (3.12151e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.393042168183205 (2.4356e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042100191334 (2.84123e-06% change) linmin: converged after 10 iterations. iteration 213: trace = 2.393042061999979 (1.59593e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393041992212131 (2.91628e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.393041942118815 (2.09329e-06% change) linmin: converged after 26 iterations. iteration 216: trace = 2.393041906870438 (1.47295e-06% change) linmin: converged after 6 iterations. iteration 217: trace = 2.393041867868708 (1.6298e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.393041859358093 (3.5564e-07% change) large trace change predicted (8.75587e-07%) linmin: converged after 2 iterations. iteration 219: trace = 2.393041838404728 (8.75595e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041820457918 (7.49958e-07% change) linmin: converged after 17 iterations. iteration 221: trace = 2.39304181176659 (3.63192e-07% change) large trace change predicted (9.76316e-07%) linmin: converged after 2 iterations. iteration 222: trace = 2.393041788402952 (9.76316e-07% change) linmin: converged after 4 iterations. iteration 223: trace = 2.393041774878442 (5.6516e-07% change) large trace change predicted (2.14019e-06%) linmin: converged after 21 iterations. iteration 224: trace = 2.393041723663142 (2.14018e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041671887843 (2.16358e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041603467304 (2.85915e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.393041515230374 (3.68723e-06% change) linmin: converged after 2 iterations. iteration 228: trace = 2.393041482455889 (1.36957e-06% change) large trace change predicted (2.98102e-06%) linmin: converged after 2 iterations. iteration 229: trace = 2.393041411117911 (2.98106e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.393041361388025 (2.0781e-06% change) linmin: converged after 14 iterations. iteration 231: trace = 2.393041330586436 (1.28713e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393041295243412 (1.47691e-06% change) linmin: converged after 8 iterations. iteration 233: trace = 2.393041278864061 (6.84458e-07% change) linmin: converged after 2 iterations. iteration 234: trace = 2.393041257500504 (8.92737e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041246889093 (4.43428e-07% change) linmin: converged after 3 iterations. iteration 236: trace = 2.3930412310829 (6.60507e-07% change) linmin: converged after 2 iterations. iteration 237: trace = 2.393041215897756 (6.34554e-07% change) linmin: converged after 6 iterations. iteration 238: trace = 2.393041208005772 (3.29789e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 2.393041193308563 (6.14164e-07% change) linmin: converged after 3 iterations. iteration 240: trace = 2.393041188389303 (2.05565e-07% change) large trace change predicted (6.52311e-07%) linmin: converged after 3 iterations. iteration 241: trace = 2.393041172779269 (6.52309e-07% change) linmin: converged after 22 iterations. iteration 242: trace = 2.393041160100434 (5.29821e-07% change) linmin: converged after 3 iterations. iteration 243: trace = 2.39304114899997 (4.63864e-07% change) large trace change predicted (1.29682e-06%) linmin: converged after 2 iterations. iteration 244: trace = 2.393041117966356 (1.29683e-06% change) linmin: converged after 10 iterations. iteration 245: trace = 2.393041107350222 (4.43625e-07% change) large trace change predicted (2.50813e-06%) linmin: converged after 2 iterations. iteration 246: trace = 2.393041047329311 (2.50814e-06% change) linmin: converged after 23 iterations. iteration 247: trace = 2.393041020536951 (1.11959e-06% change) large trace change predicted (4.42269e-06%) linmin: converged after 3 iterations. iteration 248: trace = 2.393040914700689 (4.42267e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.393040855022179 (2.49384e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040748463542 (4.45286e-06% change) linmin: converged after 16 iterations. iteration 251: trace = 2.393040710358679 (1.59232e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.393040643295781 (2.80241e-06% change) linmin: converged after 2 iterations. iteration 253: trace = 2.39304061423221 (1.2145e-06% change) linmin: converged after 2 iterations. iteration 254: trace = 2.393040598418901 (6.60804e-07% change) linmin: converged after 2 iterations. iteration 255: trace = 2.393040577851683 (8.5946e-07% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040572705137 (2.15063e-07% change) large trace change predicted (4.77152e-07%) linmin: converged after 3 iterations. iteration 257: trace = 2.393040561286761 (4.77149e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040557290889 (1.66979e-07% change) large trace change predicted (3.67111e-07%) linmin: converged after 4 iterations. iteration 259: trace = 2.393040548505703 (3.67114e-07% change) linmin: converged after 9 iterations. iteration 260: trace = 2.393040544262423 (1.77318e-07% change) large trace change predicted (3.91366e-07%) linmin: converged after 3 iterations. iteration 261: trace = 2.393040534896974 (3.91362e-07% change) linmin: converged after 2 iterations. iteration 262: trace = 2.393040521294636 (5.68412e-07% change) linmin: converged after 4 iterations. iteration 263: trace = 2.393040516174779 (2.13948e-07% change) large trace change predicted (7.08643e-07%) linmin: converged after 2 iterations. iteration 264: trace = 2.393040499216496 (7.0865e-07% change) linmin: converged after 4 iterations. iteration 265: trace = 2.393040491737621 (3.12526e-07% change) large trace change predicted (7.22952e-07%) linmin: converged after 27 iterations. iteration 266: trace = 2.393040474437362 (7.22941e-07% change) linmin: converged after 3 iterations. iteration 267: trace = 2.393040462744822 (4.88606e-07% change) linmin: converged after 2 iterations. iteration 268: trace = 2.393040445604542 (7.16255e-07% change) linmin: converged after 4 iterations. iteration 269: trace = 2.393040421199894 (1.01982e-06% change) linmin: converged after 10 iterations. iteration 270: trace = 2.393040409601803 (4.84659e-07% change) large trace change predicted (1.38722e-06%) linmin: converged after 4 iterations. iteration 271: trace = 2.39304037640564 (1.3872e-06% change) linmin: converged after 21 iterations. iteration 272: trace = 2.393040364852663 (4.82774e-07% change) large trace change predicted (1.5673e-06%) linmin: converged after 2 iterations. iteration 273: trace = 2.393040327346475 (1.5673e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040310364444 (7.09642e-07% change) large trace change predicted (1.47613e-06%) linmin: converged after 8 iterations. iteration 275: trace = 2.393040275040153 (1.47613e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.393040241114048 (1.4177e-06% change) linmin: converged after 5 iterations. iteration 277: trace = 2.393040200368841 (1.70265e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.393040164587187 (1.49524e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.393040143637449 (8.75445e-07% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.393040123615926 (8.36656e-07% change) linmin: converged after 26 iterations. iteration 281: trace = 2.393040097254723 (1.10158e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.393040080609036 (6.95587e-07% change) linmin: converged after 3 iterations. iteration 283: trace = 2.393040070023619 (4.42342e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.39304005365244 (6.84116e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393040049252831 (1.8385e-07% change) large trace change predicted (4.41918e-07%) linmin: converged after 3 iterations. iteration 286: trace = 2.393040038677494 (4.41921e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393040025509667 (5.50255e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.393040019654107 (2.44691e-07% change) large trace change predicted (5.17209e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393040007277034 (5.17211e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039997140364 (4.2359e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039989962083 (2.99965e-07% change) large trace change predicted (9.5808e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039967034778 (9.58083e-07% change) linmin: converged after 19 iterations. iteration 293: trace = 2.393039962769715 (1.78228e-07% change) large trace change predicted (5.5828e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.393039949409854 (5.5828e-07% change) linmin: converged after 2 iterations. iteration 295: trace = 2.393039940301859 (3.80604e-07% change) linmin: converged after 9 iterations. iteration 296: trace = 2.393039934340293 (2.49121e-07% change) large trace change predicted (7.05859e-07%) linmin: converged after 2 iterations. iteration 297: trace = 2.393039917448811 (7.05859e-07% change) linmin: converged after 12 iterations. iteration 298: trace = 2.393039910573973 (2.87285e-07% change) large trace change predicted (8.63755e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039889903911 (8.63758e-07% change) linmin: converged after 16 iterations. iteration 300: trace = 2.393039883607988 (2.63093e-07% change) linmin: converged after 4 iterations. iteration 301: trace = 2.393039872341665 (4.70795e-07% change) linmin: converged after 3 iterations. iteration 302: trace = 2.393039868547251 (1.5856e-07% change) linmin: converged after 2 iterations. iteration 303: trace = 2.393039864622915 (1.6399e-07% change) linmin: converged after 2 iterations. iteration 304: trace = 2.393039861818064 (1.17209e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.393039859681585 (8.92789e-08% change) linmin: converged after 3 iterations. iteration 306: trace = 2.393039858141666 (6.43499e-08% change) large trace change predicted (1.59118e-07%) linmin: converged after 2 iterations. iteration 307: trace = 2.393039854333894 (1.59119e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039852312407 (8.44736e-08% change) large trace change predicted (2.45614e-07%) linmin: converged after 3 iterations. iteration 309: trace = 2.393039846434784 (2.45613e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.393039842958436 (1.45269e-07% change) large trace change predicted (4.00408e-07%) linmin: converged after 26 iterations. iteration 311: trace = 2.39303983337652 (4.00408e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.393039827049448 (2.64395e-07% change) large trace change predicted (6.2286e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.39303981214422 (6.22857e-07% change) linmin: converged after 2 iterations. iteration 314: trace = 2.393039803193084 (3.74049e-07% change) large trace change predicted (8.47055e-07%) linmin: converged after 2 iterations. iteration 315: trace = 2.393039782922678 (8.47057e-07% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039775919828 (2.92634e-07% change) large trace change predicted (6.03112e-07%) linmin: converged after 3 iterations. iteration 317: trace = 2.393039761487149 (6.03111e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.393039757974968 (1.46766e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.393039751324605 (2.77904e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.393039746925592 (1.83825e-07% change) linmin: converged after 6 iterations. iteration 321: trace = 2.393039741642429 (2.20772e-07% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039739594184 (8.55918e-08% change) linmin: converged after 6 iterations. iteration 323: trace = 2.393039736297653 (1.37755e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.393039734616863 (7.02366e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039732482706 (8.91818e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039730474012 (8.3939e-08% change) linmin: converged after 28 iterations. iteration 327: trace = 2.393039729541427 (3.89707e-08% change) large trace change predicted (1.25479e-07%) linmin: converged after 2 iterations. iteration 328: trace = 2.393039726538658 (1.25479e-07% change) linmin: converged after 5 iterations. iteration 329: trace = 2.393039725259905 (5.34363e-08% change) large trace change predicted (1.08967e-07%) linmin: converged after 3 iterations. iteration 330: trace = 2.393039722652271 (1.08967e-07% change) linmin: converged after 4 iterations. iteration 331: trace = 2.393039720055134 (1.08529e-07% change) linmin: converged after 4 iterations. iteration 332: trace = 2.39303971821311 (7.69742e-08% change) large trace change predicted (1.65289e-07%) linmin: converged after 4 iterations. iteration 333: trace = 2.393039714257687 (1.65289e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039711455557 (1.17095e-07% change) large trace change predicted (4.35667e-07%) linmin: converged after 3 iterations. iteration 335: trace = 2.393039701029889 (4.35666e-07% change) linmin: converged after 6 iterations. iteration 336: trace = 2.39303969414832 (2.87566e-07% change) large trace change predicted (6.18633e-07%) linmin: converged after 3 iterations. iteration 337: trace = 2.393039679344427 (6.18623e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039665738685 (5.68555e-07% change) linmin: converged after 2 iterations. iteration 339: trace = 2.393039658024705 (3.22351e-07% change) linmin: converged after 14 iterations. iteration 340: trace = 2.393039648022045 (4.1799e-07% change) linmin: converged after 3 iterations. iteration 341: trace = 2.393039645279689 (1.14597e-07% change) linmin: converged after 2 iterations. iteration 342: trace = 2.393039639860686 (2.26449e-07% change) linmin: converged after 2 iterations. iteration 343: trace = 2.393039638614395 (5.20798e-08% change) large trace change predicted (1.33225e-07%) linmin: converged after 31 iterations. iteration 344: trace = 2.393039635426273 (1.33225e-07% change) linmin: converged after 2 iterations. iteration 345: trace = 2.393039634396342 (4.30386e-08% change) large trace change predicted (2.76744e-07%) linmin: converged after 2 iterations. iteration 346: trace = 2.393039627773743 (2.76744e-07% change) linmin: converged after 2 iterations. iteration 347: trace = 2.393039623939238 (1.60236e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039620653532 (1.37303e-07% change) linmin: converged after 6 iterations. iteration 349: trace = 2.393039619165641 (6.21758e-08% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.39303961742302 (7.28204e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.393039616584213 (3.50519e-08% change) large trace change predicted (1.07232e-07%) linmin: converged after 2 iterations. iteration 352: trace = 2.393039614018103 (1.07232e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.393039612067748 (8.15011e-08% change) linmin: converged after 8 iterations. iteration 354: trace = 2.393039610485067 (6.61369e-08% change) large trace change predicted (1.6085e-07%) linmin: converged after 2 iterations. iteration 355: trace = 2.393039606635865 (1.6085e-07% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039604999336 (6.8387e-08% change) large trace change predicted (2.15251e-07%) linmin: converged after 2 iterations. iteration 357: trace = 2.393039599848283 (2.15252e-07% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039595199832 (1.94249e-07% change) linmin: converged after 2 iterations. iteration 359: trace = 2.393039590728982 (1.86827e-07% change) large trace change predicted (3.76711e-07%) linmin: converged after 2 iterations. iteration 360: trace = 2.393039581714138 (3.76711e-07% change) linmin: converged after 3 iterations. iteration 361: trace = 2.393039579624308 (8.73295e-08% change) large trace change predicted (3.15035e-07%) linmin: converged after 3 iterations. iteration 362: trace = 2.393039572085427 (3.15034e-07% change) linmin: converged after 4 iterations. iteration 363: trace = 2.393039569195385 (1.20769e-07% change) linmin: converged after 24 iterations. iteration 364: trace = 2.393039567347576 (7.7216e-08% change) linmin: converged after 3 iterations. iteration 365: trace = 2.393039564256501 (1.29169e-07% change) linmin: converged after 3 iterations. iteration 366: trace = 2.393039562988934 (5.29689e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039560578459 (1.00729e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.393039558922604 (6.91947e-08% change) linmin: converged after 26 iterations. iteration 369: trace = 2.393039557927479 (4.15841e-08% change) linmin: converged after 3 iterations. iteration 370: trace = 2.393039556595693 (5.56525e-08% change) linmin: converged after 3 iterations. iteration 371: trace = 2.393039555890322 (2.94759e-08% change) linmin: converged after 3 iterations. iteration 372: trace = 2.393039554797251 (4.56771e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039554116998 (2.84263e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039553586225 (2.21799e-08% change) linmin: converged after 2 iterations. iteration 375: trace = 2.393039552816456 (3.2167e-08% change) linmin: converged after 14 iterations. iteration 376: trace = 2.393039552509962 (1.28077e-08% change) large trace change predicted (3.80158e-08%) linmin: converged after 20 iterations. iteration 377: trace = 2.39303955160023 (3.80157e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.393039550102957 (6.25678e-08% change) linmin: converged after 2 iterations. iteration 379: trace = 2.393039547896684 (9.21954e-08% change) large trace change predicted (2.08605e-07%) linmin: converged after 13 iterations. iteration 380: trace = 2.393039542904686 (2.08605e-07% change) linmin: converged after 13 iterations. iteration 381: trace = 2.393039540914833 (8.31517e-08% change) large trace change predicted (2.68473e-07%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039534490165 (2.68473e-07% change) linmin: converged after 3 iterations. iteration 383: trace = 2.393039531743482 (1.14778e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.393039529022216 (1.13716e-07% change) linmin: converged after 2 iterations. iteration 385: trace = 2.3930395266464 (9.92803e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039525621313 (4.28362e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.39303952381167 (7.56211e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039522544793 (5.29401e-08% change) linmin: converged after 30 iterations. iteration 389: trace = 2.393039521254976 (5.38987e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039520146193 (4.63337e-08% change) linmin: converged after 3 iterations. iteration 391: trace = 2.393039519641123 (2.11058e-08% change) linmin: converged after 2 iterations. iteration 392: trace = 2.39303951876411 (3.66485e-08% change) linmin: converged after 4 iterations. iteration 393: trace = 2.393039518111734 (2.72614e-08% change) linmin: converged after 3 iterations. iteration 394: trace = 2.393039516866131 (5.20511e-08% change) linmin: converged after 2 iterations. iteration 395: trace = 2.393039515556683 (5.47191e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.393039514609391 (3.95853e-08% change) linmin: converged after 3 iterations. iteration 397: trace = 2.39303951301477 (6.66358e-08% change) linmin: converged after 20 iterations. iteration 398: trace = 2.393039512204096 (3.38763e-08% change) large trace change predicted (7.80343e-08%) linmin: converged after 2 iterations. iteration 399: trace = 2.393039510336703 (7.80344e-08% change) linmin: converged after 26 iterations. iteration 400: trace = 2.393039507857176 (1.03614e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.393039504890569 (1.23968e-07% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039501464116 (1.43184e-07% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039499809577 (6.91397e-08% change) linmin: converged after 2 iterations. iteration 404: trace = 2.393039497448843 (9.865e-08% change) linmin: converged after 3 iterations. iteration 405: trace = 2.393039496945668 (2.10266e-08% change) large trace change predicted (4.54251e-08%) linmin: converged after 2 iterations. iteration 406: trace = 2.393039495858626 (4.54252e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039495176422 (2.85078e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.393039494649704 (2.20104e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.393039493868053 (3.26635e-08% change) linmin: converged after 3 iterations. iteration 410: trace = 2.393039493522389 (1.44446e-08% change) large trace change predicted (6.70969e-08%) linmin: converged after 2 iterations. iteration 411: trace = 2.393039491916734 (6.70969e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.393039491319515 (2.49565e-08% change) large trace change predicted (6.36703e-08%) linmin: converged after 4 iterations. iteration 413: trace = 2.393039489795858 (6.36704e-08% change) linmin: converged after 6 iterations. iteration 414: trace = 2.393039487678044 (8.84989e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039484497585 (1.32905e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039482872291 (6.79176e-08% change) linmin: converged after 3 iterations. iteration 417: trace = 2.393039480048833 (1.17986e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.393039477503596 (1.0636e-07% change) linmin: converged after 16 iterations. iteration 419: trace = 2.393039475639136 (7.79118e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039474206179 (5.98802e-08% change) linmin: converged after 4 iterations. iteration 421: trace = 2.393039473025051 (4.93568e-08% change) large trace change predicted (1.06788e-07%) linmin: converged after 4 iterations. iteration 422: trace = 2.393039470469564 (1.06788e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.393039469730116 (3.08999e-08% change) large trace change predicted (1.1525e-07%) linmin: converged after 4 iterations. iteration 424: trace = 2.393039466972132 (1.1525e-07% change) linmin: converged after 33 iterations. iteration 425: trace = 2.393039466365175 (2.53634e-08% change) large trace change predicted (5.87761e-08%) linmin: converged after 20 iterations. iteration 426: trace = 2.393039464958636 (5.87763e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039464510041 (1.87458e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.393039463783371 (3.0366e-08% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039463425579 (1.49514e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039463222805 (8.47348e-09% change) large trace change predicted (1.98327e-08%) linmin: converged after 4 iterations. iteration 431: trace = 2.393039462748201 (1.98327e-08% change) linmin: converged after 27 iterations. iteration 432: trace = 2.393039462643557 (4.37282e-09% change) large trace change predicted (2.68203e-08%) linmin: converged after 2 iterations. iteration 433: trace = 2.393039462001738 (2.68202e-08% change) linmin: converged after 11 iterations. iteration 434: trace = 2.393039461780953 (9.22616e-09% change) large trace change predicted (2.79408e-08%) linmin: converged after 3 iterations. iteration 435: trace = 2.393039461112321 (2.79407e-08% change) linmin: converged after 3 iterations. iteration 436: trace = 2.393039460215512 (3.74757e-08% change) linmin: converged after 2 iterations. iteration 437: trace = 2.393039459745538 (1.96392e-08% change) large trace change predicted (7.14002e-08%) linmin: converged after 25 iterations. iteration 438: trace = 2.393039458036904 (7.14002e-08% change) linmin: converged after 22 iterations. iteration 439: trace = 2.393039457666539 (1.54768e-08% change) large trace change predicted (4.77735e-08%) linmin: converged after 2 iterations. iteration 440: trace = 2.393039456523302 (4.77734e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.393039456339768 (7.66948e-09% change) large trace change predicted (2.03303e-08%) linmin: converged after 3 iterations. iteration 442: trace = 2.393039455853257 (2.03302e-08% change) linmin: converged after 3 iterations. iteration 443: trace = 2.393039455603808 (1.04239e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303945522596 (1.57895e-08% change) linmin: converged after 2 iterations. iteration 445: trace = 2.393039454896127 (1.3783e-08% change) linmin: converged after 16 iterations. iteration 446: trace = 2.393039454711662 (7.70837e-09% change) linmin: converged after 5 iterations. iteration 447: trace = 2.393039454394383 (1.32584e-08% change) linmin: converged after 3 iterations. iteration 448: trace = 2.393039454238335 (6.52091e-09% change) linmin: converged after 4 iterations. iteration 449: trace = 2.393039453999304 (9.98861e-09% change) linmin: converged after 23 iterations. iteration 450: trace = 2.393039453869241 (5.43504e-09% change) large trace change predicted (1.63584e-08%) linmin: converged after 2 iterations. iteration 451: trace = 2.393039453477778 (1.63584e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039453348103 (5.41884e-09% change) large trace change predicted (1.64474e-08%) linmin: converged after 2 iterations. iteration 453: trace = 2.393039452954508 (1.64475e-08% change) linmin: converged after 3 iterations. iteration 454: trace = 2.393039452819819 (5.62837e-09% change) large trace change predicted (2.24653e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.39303945228222 (2.24651e-08% change) linmin: converged after 19 iterations. iteration 456: trace = 2.39303945199613 (1.19551e-08% change) large trace change predicted (2.58022e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.393039451378675 (2.58021e-08% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039450707573 (2.80439e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.393039450162363 (2.27831e-08% change) large trace change predicted (4.81083e-08%) linmin: converged after 3 iterations. iteration 460: trace = 2.393039449011113 (4.81083e-08% change) linmin: converged after 4 iterations. iteration 461: trace = 2.393039448761103 (1.04474e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039448275103 (2.03089e-08% change) linmin: converged after 2 iterations. iteration 463: trace = 2.39303944809994 (7.31969e-09% change) linmin: converged after 2 iterations. iteration 464: trace = 2.393039448016191 (3.49967e-09% change) linmin: converged after 3 iterations. iteration 465: trace = 2.393039447902463 (4.75244e-09% change) linmin: converged after 3 iterations. iteration 466: trace = 2.393039447842428 (2.50876e-09% change) linmin: converged after 2 iterations. iteration 467: trace = 2.393039447760849 (3.409e-09% change) linmin: converged after 2 iterations. iteration 468: trace = 2.393039447613777 (6.14585e-09% change) linmin: converged after 4 iterations. iteration 469: trace = 2.39303944754306 (2.95508e-09% change) large trace change predicted (8.63194e-09%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039447336494 (8.63195e-09% change) linmin: converged after 13 iterations. iteration 471: trace = 2.393039447185928 (6.29186e-09% change) linmin: converged after 3 iterations. iteration 472: trace = 2.393039447053844 (5.51951e-09% change) large trace change predicted (1.36633e-08%) linmin: converged after 3 iterations. iteration 473: trace = 2.393039446726879 (1.36632e-08% change) linmin: converged after 17 iterations. iteration 474: trace = 2.393039446615982 (4.63413e-09% change) large trace change predicted (1.42315e-08%) linmin: converged after 2 iterations. iteration 475: trace = 2.393039446275415 (1.42316e-08% change) linmin: converged after 8 iterations. iteration 476: trace = 2.393039446089102 (7.78561e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039445784855 (1.27138e-08% change) linmin: converged after 16 iterations. iteration 478: trace = 2.39303944540156 (1.60171e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.393039445156301 (1.02488e-08% change) large trace change predicted (2.74501e-08%) linmin: converged after 2 iterations. iteration 480: trace = 2.39303944449941 (2.74501e-08% change) linmin: converged after 3 iterations. iteration 481: trace = 2.393039444279885 (9.17349e-09% change) large trace change predicted (3.18263e-08%) linmin: converged after 3 iterations. iteration 482: trace = 2.39303944351827 (3.18262e-08% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039443333255 (7.7314e-09% change) linmin: converged after 2 iterations. iteration 484: trace = 2.393039443004228 (1.37493e-08% change) linmin: converged after 3 iterations. iteration 485: trace = 2.39303944267546 (1.37385e-08% change) linmin: converged after 7 iterations. iteration 486: trace = 2.393039442608175 (2.81171e-09% change) large trace change predicted (8.9904e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039442393032 (8.99037e-09% change) linmin: converged after 4 iterations. iteration 488: trace = 2.393039442342964 (2.09225e-09% change) large trace change predicted (4.34127e-09%) linmin: converged after 3 iterations. iteration 489: trace = 2.393039442239075 (4.34126e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.393039442184964 (2.2612e-09% change) linmin: converged after 6 iterations. iteration 491: trace = 2.393039442161027 (1.00029e-09% change) large trace change predicted (5.6857e-09%) linmin: converged after 2 iterations. iteration 492: trace = 2.393039442024966 (5.6857e-09% change) linmin: converged after 9 iterations. iteration 493: trace = 2.393039441872982 (6.35109e-09% change) linmin: converged after 16 iterations. iteration 494: trace = 2.393039441701082 (7.18331e-09% change) large trace change predicted (1.56833e-08%) linmin: converged after 3 iterations. iteration 495: trace = 2.393039441325779 (1.56831e-08% change) linmin: converged after 4 iterations. iteration 496: trace = 2.393039441211788 (4.76344e-09% change) large trace change predicted (1.48522e-08%) linmin: converged after 2 iterations. iteration 497: trace = 2.39303944085637 (1.48522e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.393039440598281 (1.0785e-08% change) linmin: converged after 2 iterations. iteration 499: trace = 2.393039440345882 (1.05472e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.393039439935951 (1.71301e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.393039439851639 (3.5232e-09% change) large trace change predicted (1.40842e-08%) linmin: converged after 2 iterations. iteration 502: trace = 2.393039439514599 (1.40842e-08% change) linmin: converged after 24 iterations. iteration 503: trace = 2.393039439403548 (4.64057e-09% change) linmin: converged after 4 iterations. iteration 504: trace = 2.393039439285229 (4.94428e-09% change) linmin: converged after 15 iterations. iteration 505: trace = 2.39303943914652 (5.79639e-09% change) linmin: converged after 3 iterations. iteration 506: trace = 2.393039439086246 (2.5187e-09% change) linmin: converged after 26 iterations. iteration 507: trace = 2.393039438988198 (4.09721e-09% change) linmin: converged after 21 iterations. iteration 508: trace = 2.393039438878307 (4.59212e-09% change) linmin: converged after 16 iterations. iteration 509: trace = 2.393039438841224 (1.54961e-09% change) large trace change predicted (3.22965e-09%) linmin: converged after 5 iterations. iteration 510: trace = 2.393039438763937 (3.22966e-09% change) linmin: converged after 16 iterations. iteration 511: trace = 2.393039438733785 (1.26e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.39303943870912 (1.03069e-09% change) linmin: converged after 13 iterations. iteration 513: trace = 2.39303943866326 (1.9164e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039438644809 (7.71029e-10% change) large trace change predicted (5.05109e-09%) linmin: converged after 5 iterations. iteration 515: trace = 2.393039438523934 (5.05108e-09% change) linmin: converged after 12 iterations. iteration 516: trace = 2.393039438469422 (2.27797e-09% change) large trace change predicted (7.15725e-09%) linmin: converged after 2 iterations. iteration 517: trace = 2.393039438298146 (7.15723e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.393039438014125 (1.18686e-08% change) linmin: converged after 4 iterations. iteration 519: trace = 2.393039437872779 (5.90657e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.393039437655179 (9.09303e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.393039437520089 (5.64515e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.393039437297263 (9.31141e-09% change) linmin: converged after 3 iterations. iteration 523: trace = 2.393039437156936 (5.86396e-09% change) linmin: converged after 24 iterations. iteration 524: trace = 2.393039437085292 (2.99385e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.39303943695845 (5.30046e-09% change) linmin: converged after 15 iterations. iteration 526: trace = 2.393039436914609 (1.83202e-09% change) linmin: converged after 4 iterations. iteration 527: trace = 2.393039436843865 (2.95622e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.39303943673263 (4.64831e-09% change) linmin: converged after 3 iterations. iteration 529: trace = 2.393039436690799 (1.74801e-09% change) linmin: converged after 8 iterations. iteration 530: trace = 2.393039436620647 (2.9315e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039436598385 (9.30289e-10% change) large trace change predicted (2.96243e-09%) linmin: converged after 3 iterations. iteration 532: trace = 2.393039436527491 (2.96249e-09% change) linmin: converged after 3 iterations. iteration 533: trace = 2.393039436461807 (2.74481e-09% change) linmin: converged after 4 iterations. iteration 534: trace = 2.393039436424172 (1.5727e-09% change) large trace change predicted (6.00559e-09%) linmin: converged after 4 iterations. iteration 535: trace = 2.393039436280454 (6.00566e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.39303943618887 (3.82708e-09% change) linmin: converged after 3 iterations. iteration 537: trace = 2.393039436036807 (6.35442e-09% change) linmin: converged after 2 iterations. iteration 538: trace = 2.393039435794245 (1.01361e-08% change) linmin: converged after 3 iterations. iteration 539: trace = 2.393039435700735 (3.90757e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039435531811 (7.05899e-09% change) linmin: converged after 2 iterations. iteration 541: trace = 2.393039435466259 (2.73924e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.39303943534544 (5.04878e-09% change) linmin: converged after 4 iterations. iteration 543: trace = 2.393039435298291 (1.97027e-09% change) linmin: converged after 4 iterations. iteration 544: trace = 2.393039435255517 (1.78742e-09% change) linmin: converged after 8 iterations. iteration 545: trace = 2.39303943522729 (1.17955e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.393039435188424 (1.62412e-09% change) linmin: converged after 8 iterations. iteration 547: trace = 2.393039435167712 (8.65505e-10% change) linmin: converged after 9 iterations. iteration 548: trace = 2.39303943512799 (1.65992e-09% change) large trace change predicted (3.40801e-09%) linmin: converged after 4 iterations. iteration 549: trace = 2.393039435046433 (3.40809e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.393039435014659 (1.32774e-09% change) large trace change predicted (6.842e-09%) linmin: converged after 23 iterations. iteration 551: trace = 2.393039434850928 (6.842e-09% change) linmin: converged after 2 iterations. iteration 552: trace = 2.393039434782558 (2.85703e-09% change) large trace change predicted (8.70625e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.393039434574214 (8.70625e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039434517141 (2.38494e-09% change) large trace change predicted (5.79028e-09%) linmin: converged after 2 iterations. iteration 555: trace = 2.393039434378577 (5.7903e-09% change) linmin: converged after 21 iterations. iteration 556: trace = 2.393039434298211 (3.35832e-09% change) large trace change predicted (7.26483e-09%) linmin: converged after 4 iterations. iteration 557: trace = 2.393039434124362 (7.26478e-09% change) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433935333 (7.89913e-09% change) large trace change predicted (1.666e-08%) linmin: converged after 3 iterations. iteration 559: trace = 2.39303943353665 (1.66601e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 560: trace = 2.393039433352452 (7.69724e-09% change) linmin: converged after 3 iterations. iteration 561: trace = 2.393039433201853 (6.29321e-09% change) linmin: converged after 3 iterations. iteration 562: trace = 2.39303943305918 (5.96198e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433019592 (1.65429e-09% change) large trace change predicted (3.65671e-09%) linmin: converged after 2 iterations. iteration 564: trace = 2.393039432932085 (3.65674e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039432890817 (1.72448e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.393039432826563 (2.68503e-09% change) linmin: converged after 2 iterations. iteration 567: trace = 2.393039432795364 (1.30374e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.393039432748506 (1.95812e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.393039432732972 (6.49143e-10% change) linmin: converged after 4 iterations. iteration 570: trace = 2.393039432704891 (1.17345e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.393039432689627 (6.37841e-10% change) linmin: converged after 4 iterations. iteration 572: trace = 2.393039432677676 (4.99383e-10% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039432665824 (4.95264e-10% change) linmin: converged after 2 iterations. iteration 574: trace = 2.393039432659203 (2.76711e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.393039432647236 (5.00051e-10% change) linmin: converged after 4 iterations. iteration 576: trace = 2.393039432638745 (3.54839e-10% change) large trace change predicted (7.3409e-10%) linmin: converged after 7 iterations. iteration 577: trace = 2.39303943262118 (7.34006e-10% change) linmin: converged after 15 iterations. iteration 578: trace = 2.393039432603238 (7.49725e-10% change) linmin: converged after 17 iterations. iteration 579: trace = 2.393039432570474 (1.36914e-09% change) linmin: converged after 18 iterations. iteration 580: trace = 2.393039432553994 (6.8867e-10% change) large trace change predicted (2.12314e-09%) linmin: converged after 3 iterations. iteration 581: trace = 2.393039432503187 (2.12313e-09% change) linmin: converged after 13 iterations. iteration 582: trace = 2.393039432480832 (9.34186e-10% change) linmin: converged after 4 iterations. iteration 583: trace = 2.393039432452084 (1.2013e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.393039432424392 (1.15719e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.393039432407845 (6.91435e-10% change) linmin: converged after 2 iterations. iteration 586: trace = 2.393039432382961 (1.03985e-09% change) linmin: converged after 7 iterations. iteration 587: trace = 2.393039432366514 (6.87316e-10% change) linmin: converged after 3 iterations. iteration 588: trace = 2.393039432345494 (8.78384e-10% change) linmin: converged after 14 iterations. iteration 589: trace = 2.393039432339349 (2.56762e-10% change) large trace change predicted (5.89427e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.39303943232524 (5.89573e-10% change) linmin: converged after 9 iterations. iteration 591: trace = 2.393039432320826 (1.84462e-10% change) large trace change predicted (3.69118e-10%) linmin: converged after 6 iterations. iteration 592: trace = 2.393039432311989 (3.69276e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.393039432305279 (2.80423e-10% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039432295434 (4.11365e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.393039432281389 (5.86938e-10% change) linmin: converged after 6 iterations. iteration 596: trace = 2.393039432276467 (2.05692e-10% change) large trace change predicted (7.85524e-10%) linmin: converged after 3 iterations. iteration 597: trace = 2.39303943225767 (7.85485e-10% change) linmin: converged after 9 iterations. iteration 598: trace = 2.393039432252615 (2.11222e-10% change) large trace change predicted (8.39976e-10%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432232515 (8.39951e-10% change) linmin: converged after 6 iterations. iteration 600: trace = 2.393039432226268 (2.6103e-10% change) large trace change predicted (9.03088e-10%) linmin: converged after 2 iterations. iteration 601: trace = 2.39303943220466 (9.02936e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432189016 (6.53764e-10% change) linmin: converged after 2 iterations. iteration 603: trace = 2.393039432166445 (9.43168e-10% change) linmin: converged after 3 iterations. iteration 604: trace = 2.39303943213833 (1.17488e-09% change) linmin: converged after 2 iterations. iteration 605: trace = 2.393039432120859 (7.30091e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.393039432093853 (1.1285e-09% change) linmin: converged after 7 iterations. iteration 607: trace = 2.393039432086923 (2.8959e-10% change) linmin: converged after 2 iterations. iteration 608: trace = 2.393039432075805 (4.64607e-10% change) linmin: converged after 7 iterations. iteration 609: trace = 2.393039432071387 (1.84592e-10% change) linmin: converged after 5 iterations. iteration 610: trace = 2.393039432065358 (2.51974e-10% change) linmin: converged after 2 iterations. iteration 611: trace = 2.393039432062455 (1.21292e-10% change) linmin: converged after 3 iterations. iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 52.80414175987244 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887% Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355% Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% total elapsed time for run: 1055.5373306274414 done /tmp/meepYM7cP9/test_hermitian_eps-0: 1055.58s /tmp/meepYM7cP9/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.9845685958862305 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812154 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363299 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859758 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951349 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135564 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.2070884324455 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814846 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.19315658004023 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379606 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477864 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205618 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657787 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093604258 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848075 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.18797477956343 (0.00115651% change) linmin: converged after 5 iterations. iteration 17: trace = 2.187966030722322 (0.000399861% change) linmin: converged after 5 iterations. iteration 18: trace = 2.187961616111454 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.1879597773419 (8.40403e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 2.18795888606421 (4.07356e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 2.18795854913431 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.18795830248867 (1.12729e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 2.187958133390985 (7.72856e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 2.187958074545614 (2.68951e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 2.187958069787004 (2.17491e-07% change) linmin: converged after 7 iterations. iteration 26: trace = 2.187958069734503 (2.39955e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 2.187958069720223 (6.52649e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 2.187958069713313 (3.15821e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.187958069709288 (1.83972e-10% change) linmin: converged after 18 iterations. iteration 30: trace = 2.187958069706379 (1.32965e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 206.26446628570557 total elapsed time for run: 207.24923086166382 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepYM7cP9/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 6.685459060053671 s /tmp/meepYM7cP9/test_hole_slab-0: 207.35s /tmp/meepYM7cP9/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.02525043487548828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828975 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550779 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.482417469982581 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909691 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789116 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653448 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558336 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277241 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069842 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696012 (0.00676256% change) linmin: converged after 4 iterations. iteration 11: trace = 4.384928986166431 (0.00232187% change) linmin: converged after 4 iterations. iteration 12: trace = 4.384903198778337 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818508 (0.000128143% change) linmin: converged after 13 iterations. iteration 14: trace = 4.384896578810197 (2.28285e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296354982 (6.44155e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.384896163448671 (3.031e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 4.384896108996914 (1.2418e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.384896055181356 (1.22729e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.384895970966074 (1.92058e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.38489590726072 (1.45284e-06% change) large trace change predicted (4.57068e-06%) linmin: converged after 10 iterations. iteration 21: trace = 4.384895706840789 (4.57069e-06% change) large trace change predicted (5.41044e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338154686 (5.40192e-05% change) large trace change predicted (0.000283059%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228104788 (0.000276177% change) linmin: converged after 7 iterations. iteration 24: trace = 4.384874398261604 (0.000155759% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500609987 (4.32772e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.3848713955458 (2.52017e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.384870693954905 (1.60003e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.384870461981484 (5.29031e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388767834 (1.66969e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 4.384870368921946 (4.52599e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.384870362402347 (1.48684e-07% change) linmin: converged after 9 iterations. iteration 32: trace = 4.384870359727408 (6.10038e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219287 (1.1588e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145627 (1.67987e-09% change) linmin: converged after 11 iterations. iteration 35: trace = 4.384870359129828 (3.60305e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120794 (2.06039e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.384870359115494 (1.20865e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 1.1219372749328613 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.39872195949743 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.39311735253206 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343357581851 (0.0859439% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788287284224 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878624289434 (0.0663499% change) large trace change predicted (0.244096%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047515311024 (0.224508% change) linmin: converged after 7 iterations. iteration 7: trace = 4.368118510614789 (0.135642% change) linmin: converged after 6 iterations. iteration 8: trace = 4.366002631629466 (0.0484509% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742801755479 (0.0288596% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161252396401 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460651575 (0.00398233% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770767711 (0.000817831% change) linmin: converged after 4 iterations. iteration 13: trace = 4.36393858374061 (0.000302181% change) linmin: converged after 5 iterations. iteration 14: trace = 4.36393008190258 (0.00019482% change) linmin: converged after 5 iterations. iteration 15: trace = 4.363920378512217 (0.000222355% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621681136 (0.00022358% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924465893 (0.000153468% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915392915 (6.89537e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331099684 (1.33892e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186221043 (3.31993e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.363900088964535 (2.22866e-06% change) linmin: converged after 7 iterations. iteration 22: trace = 4.363900060699683 (6.47697e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.363900055304586 (1.2363e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 4.363900051912999 (7.77192e-08% change) linmin: converged after 5 iterations. iteration 25: trace = 4.363900047515076 (1.0078e-07% change) linmin: converged after 23 iterations. iteration 26: trace = 4.363900042904723 (1.05648e-07% change) linmin: converged after 11 iterations. iteration 27: trace = 4.363900040389199 (5.7644e-08% change) linmin: converged after 10 iterations. iteration 28: trace = 4.363900039270392 (2.56378e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 4.363900038955546 (7.2148e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873566 (1.87859e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.363900038847111 (6.0623e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835859 (2.5783e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.363900038830814 (1.15604e-10% change) linmin: converged after 8 iterations. iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 1.2723057270050049 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609713 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322943 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640949 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292328 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266941 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808996 (0.00022026% change) linmin: converged after 4 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 10 iterations. iteration 8: trace = 4.32599459465187 (1.62193e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.325994488077118 (2.46359e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.325994468151051 (4.60612e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562197 (1.29192e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.325994459723789 (6.56128e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374728 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749015 (1.4464e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 4.32599445760477 (3.33439e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.325994457594259 (2.42966e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.604252815246582 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30600107092552 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932486 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.29851853832182 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198784 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.298101423772041 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.29808505991654 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323796 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492037 (2.25864e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.298080977563766 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767696 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493846 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439335 (1.26827e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.298080976434353 (1.15928e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.511831521987915 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997794 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617623 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707247 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043693 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619916 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28608714465769 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 25 iterations. iteration 10: trace = 4.28608712234582 (5.5367e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.286087121648094 (1.62788e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.286087121456529 (4.46946e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.28608712142735 (6.80792e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422133 (1.21723e-10% change) linmin: converged after 9 iterations. iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.5221881866455078 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792949 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942273 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283944159629766 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 9 iterations. iteration 6: trace = 4.283887176226486 (8.70288e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283886858681759 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.28388682691592 (7.41519e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283886820456622 (2.37293e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322502 (3.13079e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305657 (3.93222e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.46465611457824707 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396197 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190657 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392986 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 4 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037957 (1.15171e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.287889500347113 (5.60441e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28788950002585 (7.49233e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903878 (2.84456e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875897 (6.52563e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.4601922035217285 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492723 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537599 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277392 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777742 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.29990483034585 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29990477686071 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.9308e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.29990477144707 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054311 (9.13415e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.299904770962038 (2.14593e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.299904770944448 (4.09088e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.299904770939913 (1.05468e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.46570396423339844 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090462 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755684 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607524 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 5 iterations. iteration 5: trace = 4.319880164551648 (7.59385e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.319879323285335 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560536 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729278 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421852 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813207 (1.40894e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663674 (3.4615e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.319879224626948 (8.50146e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.1636335849761963 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370844 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089942 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085783 (0.00355484% change) linmin: converged after 5 iterations. iteration 4: trace = 4.347489679972002 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105884 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576345 (3.33648e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.347482711409496 (5.8233e-06% change) linmin: converged after 12 iterations. iteration 8: trace = 4.347482493192523 (5.01939e-06% change) linmin: converged after 18 iterations. iteration 9: trace = 4.347482344420544 (3.42203e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.347482298963946 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34748228971871 (2.12657e-07% change) linmin: converged after 31 iterations. iteration 12: trace = 4.347482287039397 (6.16291e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286360998 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300155 (1.3995e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.347482286295717 (1.02087e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.16382575035095215 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611532715 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036492409 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.38178878025707 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715853946 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092892972 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455722745 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816252429 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919174327 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330732579 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279463 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825428 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387274 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.38121616433571 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929224 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63268e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 4.381215668422753 (1.08827e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185727 (5.41004e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 4.381215667875738 (7.07542e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457714 (9.54128e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.381215660818165 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974618 (6.49031e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.381215657571822 (9.1937e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.381215657498217 (1.68002e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.381215657480995 (3.93082e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476102 (1.11681e-10% change) linmin: converged after 16 iterations. iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.5873672962188721 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078381 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960042 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521737 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673116 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437412 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405223 (0.000131838% change) linmin: converged after 26 iterations. iteration 7: trace = 4.32273763909674 (2.13593e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.322737373315226 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966315 (1.14161e-06% change) linmin: converged after 17 iterations. iteration 10: trace = 4.322737320305617 (8.46847e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841389 (1.07392e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.322737319507413 (7.72602e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388518 (2.75046e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.322737319377671 (2.50936e-10% change) linmin: converged after 14 iterations. iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 1.0030310153961182 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591897576 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684616559 (0.11875% change) linmin: converged after 5 iterations. iteration 3: trace = 4.301135561283133 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572761 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.30085681986073 (0.000742564% change) linmin: converged after 14 iterations. iteration 6: trace = 4.300852819316745 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232525 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938094 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117169 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505014 (3.74846e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.300851491410827 (2.18996e-09% change) linmin: converged after 9 iterations. iteration 12: trace = 4.300851491406211 (1.07324e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.7649202346801758 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.32434937401908 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387770052 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377062 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406396 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908553 (0.000701658% change) linmin: converged after 6 iterations. iteration 6: trace = 4.317114586098945 (8.04196e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 4.317113326114089 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372538 (8.54139e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.317112903543082 (1.24689e-06% change) linmin: converged after 20 iterations. iteration 10: trace = 4.317112897314943 (1.44266e-07% change) linmin: converged after 14 iterations. iteration 11: trace = 4.317112896825686 (1.1333e-08% change) linmin: converged after 7 iterations. iteration 12: trace = 4.317112896790956 (8.04462e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.9318132400512695 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521888273 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344799 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496616 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793687 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549699 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455404 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839154 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070666 (3.09223e-06% change) linmin: converged after 5 iterations. iteration 9: trace = 4.358297546325379 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.35829752236015 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194551 (1.18523e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.358297516480515 (1.63834e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.358297516296371 (4.22512e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225987 (1.61496e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.358297516215984 (2.29509e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.642815351486206 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819852951 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.39527873831851 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538976 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085719 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461172 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836656 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775307 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979723 (0.000106994% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385086288853218 (1.87938e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697313 (2.37355e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.385086139058153 (1.45758e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.385086138940974 (2.67222e-09% change) large trace change predicted (7.9911e-09%) linmin: converged after 5 iterations. iteration 15: trace = 4.385086138590554 (7.99118e-09% change) large trace change predicted (6.98869e-08%) linmin: converged after 6 iterations. iteration 16: trace = 4.385086135525945 (6.98871e-08% change) large trace change predicted (2.99537e-07%) linmin: converged after 7 iterations. iteration 17: trace = 4.385086122390883 (2.99539e-07% change) large trace change predicted (1.05347e-06%) linmin: converged after 12 iterations. iteration 18: trace = 4.385086076197731 (1.05341e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 19: trace = 4.385075363377362 (0.000244302% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074751503768 (1.39535e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.385074131791603 (1.41323e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.385073498120102 (1.44506e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.3850728391906 (1.50266e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.385072141566585 (1.59091e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 4.385071390004491 (1.71391e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.385070567002641 (1.87683e-05% change) linmin: converged after 10 iterations. iteration 27: trace = 4.385069652320134 (2.0859e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068623117292 (2.34706e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067455913275 (2.66177e-05% change) linmin: converged after 6 iterations. iteration 30: trace = 4.385066132564182 (3.01785e-05% change) linmin: converged after 7 iterations. iteration 31: trace = 4.385064652751265 (3.37467e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.385063050710816 (3.6534e-05% change) linmin: converged after 10 iterations. iteration 33: trace = 4.385061400745426 (3.7627e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.385059792765557 (3.66695e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.385058292699991 (3.42086e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 4.385056925719566 (3.11736e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055687169101 (2.82448e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054559495551 (2.57163e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.385053522968946 (2.36377e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052560197837 (2.19557e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051657324839 (2.05898e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050803883862 (1.94625e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.385049992245298 (1.85092e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049217008356 (1.76791e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.385048474457228 (1.69337e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 4.385047762107202 (1.6245e-05% change) linmin: converged after 9 iterations. iteration 47: trace = 4.385047078337947 (1.55932e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.385046422125289 (1.49648e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045792731911 (1.43532e-05% change) linmin: converged after 13 iterations. iteration 50: trace = 4.385045189703144 (1.37519e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.38504461255611 (1.31617e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.385044060816794 (1.25823e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.38504353399636 (1.2014e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.385043031508665 (1.14591e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 4.385042552650464 (1.09203e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.385042096642393 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041662654589 (9.897e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 4.385041249778738 (9.41555e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040857070793 (8.95563e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 4.385040483570849 (8.51759e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 4.385040128308277 (8.10169e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039790310772 (7.70797e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039468628151 (7.33591e-06% change) linmin: converged after 7 iterations. iteration 64: trace = 4.385039162327915 (6.98512e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038870510874 (6.65483e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 4.385038592311513 (6.34429e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038326900565 (6.05265e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 4.38503807348842 (5.77902e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037831326652 (5.52246e-06% change) resetting CG direction... large trace change predicted (0.0031332%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900329100619 (0.00313576% change) linmin: converged after 3 iterations. iteration 71: trace = 4.384884254601342 (0.000366588% change) linmin: converged after 3 iterations. iteration 72: trace = 4.384873438720082 (0.000246663% change) linmin: converged after 3 iterations. iteration 73: trace = 4.384870688145813 (6.27287e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 4.384870449333986 (5.44627e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415882931 (7.62874e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 4.384870401147243 (3.36058e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492857 (1.74564e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389495106 (9.11715e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 4.384870388322232 (2.67482e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 4.384870388216734 (2.40597e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 4.384870388189753 (6.15302e-10% change) large trace change predicted (3.52411e-09%) linmin: converged after 4 iterations. iteration 82: trace = 4.38487038803525 (3.52357e-09% change) large trace change predicted (3.74764e-08%) linmin: converged after 28 iterations. iteration 83: trace = 4.384870386391934 (3.7477e-08% change) large trace change predicted (1.51153e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379764137 (1.51151e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 4.384870373683719 (1.38668e-07% change) linmin: converged after 7 iterations. iteration 86: trace = 4.384870369532241 (9.46773e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.38487036365659 (1.33998e-07% change) linmin: converged after 8 iterations. iteration 88: trace = 4.384870360442977 (7.32887e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 4.384870359584565 (1.95767e-08% change) linmin: converged after 14 iterations. iteration 90: trace = 4.384870359189046 (9.02009e-09% change) linmin: converged after 9 iterations. iteration 91: trace = 4.384870359114164 (1.70774e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106877 (1.66176e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 2.5409326553344727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774273 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087806 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092526 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418488 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.785657777185661 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014189 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233968 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354988) to band 2 (0.3351850759916969), 0.020381849463972628% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% total elapsed time for run: 12.250716924667358 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012577295303344727 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 17.92607897538322 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119915343174 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109186977 (14.0209% change) linmin: converged after 5 iterations. iteration 4: trace = 6.58888652364287 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424246076 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866302 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823718502 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.474893456063001 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132514 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000407 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.47015757375367 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969771 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660893 (0.00751906% change) linmin: converged after 7 iterations. iteration 14: trace = 6.468841027070832 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577920377 (0.0026968% change) linmin: converged after 10 iterations. iteration 16: trace = 6.468592519446273 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.46856679543332 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940038 (0.000186803% change) linmin: converged after 6 iterations. iteration 19: trace = 6.468546490013834 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358513 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926657947 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161839825 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335214083 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 7 iterations. iteration 24: trace = 6.467419876616322 (0.0103043% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466887404305107 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640790414967 (0.00381356% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466547273459352 (0.00144615% change) linmin: converged after 4 iterations. iteration 28: trace = 6.466507039465316 (0.000622189% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489938107039 (0.000264461% change) linmin: converged after 4 iterations. iteration 30: trace = 6.466483473449076 (9.99717e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920991301 (7.04009e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475300003511 (5.59963e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466472640176281 (4.11326e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.466470979761616 (2.56773e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055019 (1.6465e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614943 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751725752 (6.61705e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.466468412461958 (5.24651e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466467929864256 (7.46308e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100427191 (1.28267e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255877623 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 8 iterations. iteration 42: trace = 6.46646122001997 (6.24121e-05% change) large trace change predicted (0.00015753%) linmin: converged after 6 iterations. iteration 43: trace = 6.466451030011505 (0.000157583% change) linmin: converged after 9 iterations. iteration 44: trace = 6.466433013331613 (0.000278618% change) linmin: converged after 11 iterations. iteration 45: trace = 6.466416782663948 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490528265 (0.000112769% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466406899774358 (4.00648e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.466406094478431 (1.24535e-05% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405844612755 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769907499 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747181907 (3.51441e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 6.46640573799684 (1.42043e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731539118 (9.98657e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405724920215 (1.02358e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 6.466405718048475 (1.06268e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327633 (7.3799e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709709058 (5.51662e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405707038169 (4.13041e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.466405704132005 (4.49425e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.466405699087506 (7.80109e-08% change) large trace change predicted (1.5603e-07%) linmin: converged after 2 iterations. iteration 61: trace = 6.466405688997896 (1.56031e-07% change) large trace change predicted (3.7443e-07%) linmin: converged after 15 iterations. iteration 62: trace = 6.466405664785508 (3.74433e-07% change) linmin: converged after 28 iterations. iteration 63: trace = 6.466405627489602 (5.76764e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.466405586875777 (6.28074e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.46640556506476 (3.37297e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.466405555907518 (1.41613e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405552605178 (5.10692e-08% change) linmin: converged after 2 iterations. iteration 68: trace = 6.466405551334731 (1.96469e-08% change) linmin: converged after 16 iterations. iteration 69: trace = 6.466405550799248 (8.281e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550642449 (2.42482e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503872 (2.14303e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.466405550445268 (9.06281e-10% change) linmin: converged after 3 iterations. iteration 73: trace = 6.466405550414719 (4.72425e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.46640555038379 (4.78303e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 6.466405550351928 (4.92725e-10% change) large trace change predicted (1.03812e-09%) linmin: converged after 3 iterations. iteration 76: trace = 6.466405550284806 (1.03802e-09% change) large trace change predicted (2.15834e-09%) linmin: converged after 5 iterations. iteration 77: trace = 6.466405550145241 (2.15831e-09% change) large trace change predicted (4.86711e-09%) linmin: converged after 3 iterations. iteration 78: trace = 6.466405549830503 (4.86729e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 6.466405549269239 (8.67969e-09% change) linmin: converged after 11 iterations. iteration 80: trace = 6.466405548567114 (1.0858e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547894586 (1.04003e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547386092 (7.86362e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.466405546958021 (6.61992e-09% change) linmin: converged after 8 iterations. iteration 84: trace = 6.466405546506333 (6.98514e-09% change) linmin: converged after 16 iterations. iteration 85: trace = 6.466405546057374 (6.94295e-09% change) linmin: converged after 2 iterations. iteration 86: trace = 6.46640554572432 (5.15053e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.466405545536675 (2.90184e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461352 (1.16483e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440622 (3.20595e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433945 (1.03248e-10% change) linmin: converged after 17 iterations. iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 4.700831651687622 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067052996546 (0.950104% change) linmin: converged after 5 iterations. iteration 2: trace = 6.43476570269001 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.41564474813926 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.39465360439015 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220861344239 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272818545 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062794824 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086332797 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.37201104783465 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458537317 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011456711 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519883851 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913676103 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529108516 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436772975 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391429577 (0.000377597% change) linmin: converged after 6 iterations. iteration 17: trace = 6.367957304387381 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626657136 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610031953 (0.000173002% change) linmin: converged after 6 iterations. iteration 20: trace = 6.367922428080588 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388196858 (6.34412e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 6.36791563959841 (4.31632e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 6.367913674060577 (3.08663e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 6.367912248327197 (2.23893e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.367910983142318 (1.98681e-05% change) linmin: converged after 8 iterations. iteration 26: trace = 6.367910002775989 (1.53954e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 6.3679094833749 (8.15654e-06% change) linmin: converged after 12 iterations. iteration 28: trace = 6.367909240413649 (3.8154e-06% change) linmin: converged after 12 iterations. iteration 29: trace = 6.367909155901818 (1.32715e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 6.367909122690675 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103767053 (2.97172e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.367909090577662 (2.07123e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277775 (1.77451e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 6.367909068648772 (1.66915e-07% change) linmin: converged after 15 iterations. iteration 35: trace = 6.367909061036096 (1.19547e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 6.367909056621722 (6.93222e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 6.367909054297022 (3.65065e-08% change) linmin: converged after 20 iterations. iteration 38: trace = 6.367909052624121 (2.62708e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314649 (2.05636e-08% change) linmin: converged after 3 iterations. iteration 40: trace = 6.367909050370929 (1.48199e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 6.367909049791784 (9.09474e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 6.367909049418198 (5.86671e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 6.367909049257639 (2.52137e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 6.367909049201544 (8.80896e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.367909049182624 (2.97114e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 6.367909049171304 (1.77764e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.367909049158719 (1.97639e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 6.367909049144635 (2.21169e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 6.367909049133679 (1.72059e-10% change) linmin: converged after 5 iterations. iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 1.827751874923706 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 6.3200032605905 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319692 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010985 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874486335 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640793 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505048 (0.00135245% change) linmin: converged after 6 iterations. iteration 7: trace = 6.307433279783366 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930066 (0.000207541% change) linmin: converged after 4 iterations. iteration 9: trace = 6.307414904204794 (8.37918e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.307412046921582 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158996 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531604 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969257 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233323 (3.91184e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 6.307408593328487 (2.04371e-06% change) linmin: converged after 28 iterations. iteration 16: trace = 6.307408549531712 (6.9437e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807263 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970346 (7.66863e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.307408528488404 (2.34953e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.307408528005171 (7.66136e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.30740852785379 (2.40005e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 6.307408527794085 (9.46587e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.30740852775652 (5.95563e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.30740852773683 (3.12173e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.307408527727549 (1.47138e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.5021865367889404 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463612982484 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394750923 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604043969 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267175199 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152580638 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510427349 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752496 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428303634 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604383709 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.281988929449003 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844711 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759971988 (7.12812e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.281973995724686 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607873 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094742 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844382 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295188 (8.20589e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.28197156610134 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.28197156230419 (6.04452e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 6.281971560806641 (2.38388e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352625 (7.22728e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.281971560186313 (2.64745e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120159 (1.05308e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 6.281971560091682 (4.5331e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.281971560080309 (1.81044e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.33349037170410156 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369297 (0.430756% change) linmin: converged after 5 iterations. iteration 2: trace = 6.2892066843556 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834829 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800656 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271310484 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617309 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882139578 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341747 (0.00230942% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282800167347959 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282747004996441 (0.000846161% change) linmin: converged after 20 iterations. iteration 12: trace = 6.282703557062474 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229335338 (0.000339468% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282675130393072 (0.000112992% change) linmin: converged after 4 iterations. iteration 15: trace = 6.282672608965461 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548717 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329277 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190036 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233792 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010518 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784775 (1.30927e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753027 (4.82557e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 6.282671766763948 (1.5743e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.282671766458806 (4.85688e-09% change) linmin: converged after 9 iterations. iteration 25: trace = 6.282671766336981 (1.93907e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 6.282671766260684 (1.21441e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.282671766201569 (9.40913e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.282671766155278 (7.36804e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 6.282671766133061 (3.53636e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.5279324054718018 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451288 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025499247 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507706 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212721223 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229676 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398333 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.29949534067714 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630943 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766081 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255148 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455876 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215354 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924448 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016279 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263541 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985894 (2.37874e-05% change) linmin: converged after 6 iterations. iteration 18: trace = 6.29440645900385 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379217 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788376 (2.55133e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 6.294405782629287 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446981 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369189 (2.39543e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.294405733484955 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045221 (2.29406e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 6.294405712361794 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.29440571017969 (3.46673e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 6.29440570899652 (1.87972e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.294405707877617 (1.77761e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.294405706286301 (2.52814e-08% change) linmin: converged after 20 iterations. iteration 31: trace = 6.294405704817242 (2.33391e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102966 (1.13478e-08% change) linmin: converged after 9 iterations. iteration 33: trace = 6.294405703768753 (5.30969e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 6.294405703545733 (3.54314e-09% change) linmin: converged after 7 iterations. iteration 35: trace = 6.294405703401987 (2.28372e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 6.294405703320324 (1.29739e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286798 (5.32633e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 6.294405703273476 (2.11645e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 2.4678595066070557 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176919602 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727760468 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.29761911485909 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147147 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595465 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687401 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150609 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841469 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.29646816300987 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.29646794117121 (3.52322e-06% change) linmin: converged after 10 iterations. iteration 11: trace = 6.296467865329763 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969857 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830014 (3.83387e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 6.296467783022486 (4.25755e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 6.296467750315617 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879384 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753017 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688737 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980607 (1.2242e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296467694261517 (9.08301e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403801 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402602 (1.5901e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296467690046349 (5.65799e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.29646768982429 (3.52672e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597053 (3.60896e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.296467689392037 (3.25605e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.296467689305392 (1.37608e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279556 (4.10329e-10% change) linmin: converged after 15 iterations. iteration 29: trace = 6.296467689270651 (1.41427e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 2.1791579723358154 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234781 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319124 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009928 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.30220020902879 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624336 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411512 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018786 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262022 (8.92239e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 6.301846911960352 (1.86501e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.301846388216972 (8.31095e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 6.301846085008105 (4.81143e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 6.30184588886787 (3.11243e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 6.301845757623044 (2.08264e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.30184569861957 (9.36289e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235487 (4.82146e-07% change) linmin: converged after 14 iterations. iteration 16: trace = 6.301845649790846 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932034 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.30184560184901 (4.35925e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.301845579579472 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110102 (1.97869e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.301845561609765 (8.72814e-08% change) linmin: converged after 26 iterations. iteration 22: trace = 6.301845559125026 (3.94288e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.301845557289972 (2.91193e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.301845555247236 (3.24149e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038564 (3.5048e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 6.301845551683946 (2.14956e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.301845551182741 (7.9533e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984634 (3.14364e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.301845550903847 (1.28196e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.301845550857776 (7.31067e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.30184555083353 (3.84751e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.30184555082548 (1.27747e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 1.151611566543579 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115614864 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197751503 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572941805 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827669129 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208927556 (0.0029578% change) linmin: converged after 5 iterations. iteration 6: trace = 6.309229226566798 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973781213 (0.000416102% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30919440659967 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198229 (6.43094e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.309187375962605 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567454864 (2.86647e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.309184755086878 (1.2876e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.309184446575221 (4.88988e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.309184352025174 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579332 (8.15412e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 6.309184257672634 (6.80067e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 6.309184198715782 (9.34461e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.309184133927345 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.309184099681204 (5.42798e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.30918408410606 (2.46865e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 6.309184076911358 (1.14035e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438 (7.09023e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130057 (6.82805e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.309184063212676 (7.794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450126 (1.07186e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362691 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652987 (4.29486e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 6.309184047348862 (2.06703e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.309184046823375 (8.32893e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545846 (4.39881e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.309184046419702 (1.99936e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.309184046373005 (7.40141e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.309184046358347 (2.32336e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 1.528348684310913 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801917711 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470978049 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550837462 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553848058 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349123102 (0.00226642% change) linmin: converged after 5 iterations. iteration 6: trace = 6.318420288427251 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042071838 (0.000731932% change) linmin: converged after 5 iterations. iteration 8: trace = 6.318349508618049 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411522139 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606694 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476686 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523260427 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770551 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379766 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792305 (3.33296e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 6.318323450131578 (4.23626e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017672 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162412 (2.81491e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 6.318322903495034 (8.81047e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.318322888313275 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797128 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181355 (2.55728e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.318322881394603 (1.24519e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.318322880964139 (6.81294e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 6.318322880605 (5.68409e-09% change) linmin: converged after 15 iterations. iteration 26: trace = 6.318322880209585 (6.25823e-09% change) linmin: converged after 21 iterations. iteration 27: trace = 6.31832287959852 (9.6713e-09% change) linmin: converged after 14 iterations. iteration 28: trace = 6.318322878497074 (1.74326e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.318322877602431 (1.41595e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.31832287708382 (8.20805e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38021e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.318322876668267 (2.19674e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.318322876613936 (8.59892e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 6.318322876598196 (2.49121e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 1.2345359325408936 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568353543 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094181636 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309822502 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591274194 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210196264 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.33064396980161 (0.00188353% change) linmin: converged after 7 iterations. iteration 7: trace = 6.330526348136551 (0.00185799% change) linmin: converged after 13 iterations. iteration 8: trace = 6.330475545195476 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.330456130102515 (0.000306693% change) linmin: converged after 5 iterations. iteration 10: trace = 6.330448155863277 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917500964 (5.11554e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968357512 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826384102 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859955793 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902013757 (0.0001731% change) linmin: converged after 5 iterations. iteration 16: trace = 6.330408494649402 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091576583 (0.000243319% change) linmin: converged after 6 iterations. iteration 18: trace = 6.330384367755954 (0.000137809% change) linmin: converged after 6 iterations. iteration 19: trace = 6.330379302017224 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672644792 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.330359257233077 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260631059 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731579208 (0.00312042% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824562064017 (0.00436289% change) linmin: converged after 7 iterations. iteration 25: trace = 6.329581573906367 (0.00383886% change) linmin: converged after 6 iterations. iteration 26: trace = 6.329442199166004 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368645492959 (0.00116209% change) linmin: converged after 10 iterations. iteration 28: trace = 6.329332395863501 (0.000572723% change) linmin: converged after 4 iterations. iteration 29: trace = 6.329321991178512 (0.000164388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097988076 (4.57109e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.329318300206615 (1.26045e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.32931799410349 (4.83627e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317823129362 (2.7013e-06% change) linmin: converged after 6 iterations. iteration 34: trace = 6.329317711845055 (1.75824e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.329317634395559 (1.22366e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.329317560691636 (1.16448e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.32931747415502 (1.36723e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 6.329317376194909 (1.54772e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304171264 (1.13794e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.329317262603997 (6.56742e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.329317230522463 (5.06872e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195236122 (5.57506e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.329317162896908 (5.10943e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.329317144755773 (2.86621e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.329317134305412 (1.6511e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125696884 (1.3601e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115496575 (1.6116e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101155471 (2.26582e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.329317075190383 (4.10235e-07% change) large trace change predicted (8.61114e-07%) linmin: converged after 9 iterations. iteration 50: trace = 6.329317020686204 (8.61138e-07% change) large trace change predicted (2.13494e-06%) linmin: converged after 7 iterations. iteration 51: trace = 6.329316885549689 (2.13509e-06% change) large trace change predicted (4.29533e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613639072 (4.29605e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332925112 (4.43514e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.329316191102488 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143746306 (7.48204e-07% change) linmin: converged after 18 iterations. iteration 56: trace = 6.32931612694177 (2.65503e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120032678 (1.0916e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116868592 (4.9991e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.329316115420461 (2.28797e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114755848 (1.05006e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.329316114258587 (7.85647e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.32931611357861 (1.07433e-08% change) linmin: converged after 7 iterations. iteration 63: trace = 6.32931611250308 (1.69928e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378772 (1.77635e-08% change) linmin: converged after 17 iterations. iteration 65: trace = 6.329316110808317 (9.01291e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.32931611061173 (3.10597e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525245 (1.36641e-09% change) linmin: converged after 16 iterations. iteration 68: trace = 6.329316110484219 (6.48202e-10% change) linmin: converged after 7 iterations. iteration 69: trace = 6.329316110465934 (2.88893e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458442 (1.18366e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.32931611045135 (1.12052e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 5.192939043045044 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535386882 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987163942 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715447410408 (0.0710428% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209751381263 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423963655603 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418547572471 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762758268691 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505247164775 (0.00404597% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314495047947 (0.00299717% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187767542588 (0.00199124% change) linmin: converged after 4 iterations. iteration 11: trace = 6.364105946449937 (0.00128566% change) large trace change predicted (0.00305019%) linmin: converged after 4 iterations. iteration 12: trace = 6.363911973027979 (0.00304798% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499392011474 (0.0379175% change) linmin: converged after 17 iterations. iteration 14: trace = 6.360271253669679 (0.0193077% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373214130635 (0.0141205% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557209865869 (0.0128323% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758831376815 (0.0125568% change) linmin: converged after 4 iterations. iteration 18: trace = 6.35695020028015 (0.0127196% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356111990994002 (0.0131866% change) linmin: converged after 5 iterations. iteration 20: trace = 6.355220830187315 (0.0140215% change) linmin: converged after 7 iterations. iteration 21: trace = 6.354246050292112 (0.0153394% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159590078924 (0.0170996% change) linmin: converged after 5 iterations. iteration 23: trace = 6.35196059587473 (0.0188742% change) linmin: converged after 7 iterations. iteration 24: trace = 6.350699107250833 (0.0198618% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349457731438005 (0.019549% change) linmin: converged after 6 iterations. iteration 26: trace = 6.348291251576054 (0.018373% change) linmin: converged after 5 iterations. iteration 27: trace = 6.347197527381277 (0.0172301% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140279328147 (0.0166583% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081032208443 (0.0166926% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343998846697296 (0.017057% change) linmin: converged after 9 iterations. iteration 31: trace = 6.342897532952846 (0.0173614% change) linmin: converged after 6 iterations. iteration 32: trace = 6.341800207534998 (0.0173016% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340733702023742 (0.0168185% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713171756136 (0.0160961% change) linmin: converged after 10 iterations. iteration 35: trace = 6.338736461829757 (0.0154074% change) linmin: converged after 6 iterations. iteration 36: trace = 6.33778783665264 (0.0149666% change) linmin: converged after 5 iterations. iteration 37: trace = 6.336845169256096 (0.0148749% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335886962176028 (0.0151223% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899165822387 (0.0155917% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333882730716306 (0.0160463% change) linmin: converged after 7 iterations. iteration 41: trace = 6.33286010313808 (0.0161467% change) linmin: converged after 7 iterations. iteration 42: trace = 6.331873203918613 (0.015585% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966235762773 (0.0143249% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330163751312972 (0.0126763% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329463856162633 (0.0110571% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847345078376 (0.00974081% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289355750378 (0.00881699% change) linmin: converged after 5 iterations. iteration 48: trace = 6.327766397496983 (0.00826416% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259336647544 (0.00801359% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326754564654965 (0.00797805% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326244564109935 (0.00806134% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325727895894234 (0.00816739% change) linmin: converged after 5 iterations. iteration 53: trace = 6.325208013920704 (0.00821887% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324690671181235 (0.0081794% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324180794620297 (0.00806201% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680328087471 (0.00791385% change) linmin: converged after 4 iterations. iteration 57: trace = 6.32318781492698 (0.0077887% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699274017141 (0.00772648% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209415642527 (0.00774791% change) linmin: converged after 5 iterations. iteration 60: trace = 6.321712489184559 (0.00786032% change) linmin: converged after 5 iterations. iteration 61: trace = 6.321202501922708 (0.00806756% change) linmin: converged after 6 iterations. iteration 62: trace = 6.320672900221528 (0.00837853% change) linmin: converged after 6 iterations. iteration 63: trace = 6.320116030645042 (0.00881068% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319522825865787 (0.00938642% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318883234645984 (0.0101214% change) linmin: converged after 5 iterations. iteration 66: trace = 6.318187959672148 (0.0110037% change) linmin: converged after 6 iterations. iteration 67: trace = 6.31743189423737 (0.0119672% change) linmin: converged after 9 iterations. iteration 68: trace = 6.316618757955095 (0.0128721% change) linmin: converged after 6 iterations. iteration 69: trace = 6.315764596548945 (0.0135234% change) resetting CG direction... large trace change predicted (0.188887%) linmin: converged after 4 iterations. iteration 70: trace = 6.30377483351079 (0.190019% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300359863163028 (0.0541881% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320135225627 (0.016504% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061113389838 (0.00411199% change) linmin: converged after 3 iterations. iteration 74: trace = 6.29894674000712 (0.00181574% change) linmin: converged after 4 iterations. iteration 75: trace = 6.298877873119761 (0.00109331% change) linmin: converged after 4 iterations. iteration 76: trace = 6.298793443318489 (0.0013404% change) linmin: converged after 5 iterations. iteration 77: trace = 6.298725836212253 (0.00107334% change) linmin: converged after 4 iterations. iteration 78: trace = 6.298682922239421 (0.000681314% change) linmin: converged after 3 iterations. iteration 79: trace = 6.298642200531368 (0.000646514% change) linmin: converged after 3 iterations. iteration 80: trace = 6.298616546133387 (0.000407301% change) linmin: converged after 3 iterations. iteration 81: trace = 6.298604022115915 (0.000198838% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598783826391 (8.31659e-05% change) linmin: converged after 6 iterations. iteration 83: trace = 6.298597353919131 (2.2702e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 6.298596364652583 (1.57061e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 6.298595759885517 (9.60162e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.298595315598257 (7.05375e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099396957 (3.43253e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.298595020017621 (1.26027e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974687637 (7.19684e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.298594929333673 (7.20065e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.298594895483319 (5.37427e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877344432 (2.87983e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868820416 (1.35332e-07% change) linmin: converged after 5 iterations. iteration 94: trace = 6.298594864524636 (6.82022e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 6.298594862453144 (3.28882e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905874 (8.68876e-09% change) linmin: converged after 19 iterations. iteration 97: trace = 6.298594861732207 (2.75724e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685732 (7.3786e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667191 (2.94363e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.298594861658075 (1.44735e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 5.625737905502319 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987178494 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233361261 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394324921 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833051483 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916499 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170792 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992352109 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090529 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408679 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564533 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449735 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832897 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.28260865850598 (1.99482e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.282608607802819 (8.0704e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282608579576467 (4.49278e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246183 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481403 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131914 (5.33137e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.282608553958246 (1.86812e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.282608553518156 (7.0049e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 6.282608553300054 (3.47151e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 6.282608553189004 (1.76759e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 6.282608553137472 (8.2022e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 6.282608553118511 (3.01813e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 1.2600927352905273 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067843477 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191718284 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393602 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418353 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183249 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.29692785760085 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232909 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.296840480940103 (0.000309667% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296835118565327 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246105 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029665 (1.76155e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296831011555446 (6.91577e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 6.296830859588104 (2.41339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.29683081631859 (6.87163e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.29683079971514 (2.63679e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163728 (8.8162e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 6.296830790795292 (1.61387e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.296830790487549 (4.88727e-09% change) linmin: converged after 21 iterations. iteration 20: trace = 6.29683079038124 (1.68829e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 6.296830790332562 (7.73062e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 6.29683079030516 (4.35173e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293806 (1.80306e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 1.2359702587127686 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112054111 (0.562684% change) linmin: converged after 6 iterations. iteration 2: trace = 6.360316161579064 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854586 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685735 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306038 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160624 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703357 (0.000783992% change) linmin: converged after 5 iterations. iteration 8: trace = 6.356067894802454 (0.000383254% change) linmin: converged after 6 iterations. iteration 9: trace = 6.356057959422968 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445724 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803913 (3.17279e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.356050456386635 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.356049967376735 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 28 iterations. iteration 16: trace = 6.356049901388708 (2.85404e-07% change) linmin: converged after 23 iterations. iteration 17: trace = 6.356049892735019 (1.36149e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356049887839802 (7.70166e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.356049885347 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857859 (2.34287e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.356049883361588 (7.80785e-09% change) linmin: converged after 9 iterations. iteration 22: trace = 6.356049883209116 (2.39885e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 6.356049883160932 (7.5809e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 6.356049883141623 (3.03789e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 6.356049883134007 (1.19811e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.6852867603302002 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768772931 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173738512 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167065866 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479664611 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953734 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054692 (0.000950981% change) linmin: converged after 5 iterations. iteration 7: trace = 6.467983140883332 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050007465 (0.000357003% change) linmin: converged after 5 iterations. iteration 9: trace = 6.467927172636561 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580582 (0.000446853% change) linmin: converged after 10 iterations. iteration 11: trace = 6.467871940836226 (0.000407084% change) linmin: converged after 10 iterations. iteration 12: trace = 6.467850751198577 (0.000327614% change) linmin: converged after 7 iterations. iteration 13: trace = 6.467835734516946 (0.000232174% change) linmin: converged after 10 iterations. iteration 14: trace = 6.467812737195286 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878039142 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 11 iterations. iteration 16: trace = 6.467537992289778 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240856515 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782268256 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440164 (0.00269434% change) linmin: converged after 8 iterations. iteration 20: trace = 6.466437876281591 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072562876 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918629861 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.46640927950021 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508489901 (1.19233e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.466407804625891 (1.08849e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466407055859862 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660054711 (6.12094e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.466406474887561 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394960384 (1.23604e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.466406364405307 (4.7252e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466406353488566 (1.68822e-07% change) linmin: converged after 29 iterations. iteration 32: trace = 6.466406348132334 (8.28317e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466406341484168 (1.02811e-07% change) large trace change predicted (2.07296e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328079522 (2.07297e-07% change) large trace change predicted (4.9286e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296209299 (4.92858e-07% change) large trace change predicted (1.36399e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406208006756 (1.36401e-06% change) large trace change predicted (3.01516e-06%) linmin: converged after 6 iterations. iteration 37: trace = 6.46640601302609 (3.01529e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405815025164 (3.06199e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733870723 (1.25502e-06% change) linmin: converged after 10 iterations. iteration 40: trace = 6.466405707776289 (4.03538e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.466405697328108 (1.61576e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 6.466405689145759 (1.26536e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.466405679866695 (1.43496e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.466405673447975 (9.92626e-08% change) linmin: converged after 3 iterations. iteration 45: trace = 6.466405669427485 (6.2175e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.466405667382207 (3.16293e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466405666184069 (1.85287e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665512342 (1.03879e-08% change) linmin: converged after 10 iterations. iteration 49: trace = 6.466405664658528 (1.32038e-08% change) large trace change predicted (3.62388e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.466405662315172 (3.62389e-08% change) large trace change predicted (1.23484e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654330202 (1.23484e-07% change) large trace change predicted (2.49052e-07%) linmin: converged after 4 iterations. iteration 52: trace = 6.466405638225295 (2.49055e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405616910763 (3.29619e-07% change) linmin: converged after 20 iterations. iteration 54: trace = 6.466405589352709 (4.26173e-07% change) linmin: converged after 7 iterations. iteration 55: trace = 6.466405565247541 (3.72775e-07% change) linmin: converged after 10 iterations. iteration 56: trace = 6.466405553446517 (1.82497e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548896816 (7.0359e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405546945157 (3.01815e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.466405546068716 (1.35538e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.466405545766956 (4.66657e-09% change) linmin: converged after 2 iterations. iteration 61: trace = 6.466405545619112 (2.28635e-09% change) linmin: converged after 3 iterations. iteration 62: trace = 6.466405545535531 (1.29253e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405545465535 (1.08246e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 6.466405545408477 (8.82368e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.466405545374013 (5.32984e-10% change) linmin: converged after 6 iterations. iteration 66: trace = 6.466405545356618 (2.68992e-10% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 2.0801494121551514 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674928 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140964 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606967 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898029 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.016865668391553 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418435 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707196 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364384 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839870785 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% total elapsed time for run: 32.56632208824158 done /tmp/meepYM7cP9/test_honey_rods-0: 44.83s /tmp/meepYM7cP9/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.07856535911560059 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531376 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581377 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025026 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197167 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624339 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438205 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436863 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528689 (0.000382526% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2804485287729153 (6.39261e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.2804485117540474 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314581 (9.35141e-07% change) linmin: converged after 8 iterations. iteration 12: trace = 0.2804485089210583 (7.50226e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 0.2804485089016305 (6.9274e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2804485088974218 (1.50072e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 0.280448508897052 (1.31866e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2804485088969895 (2.22877e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589493999721 (197.909% change) linmin: converged after 9 iterations. iteration 2: trace = 1.508143754927859 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.30885203849705 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329593 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.226166609694067 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652072 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880573 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842118 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833299 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073498 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209399 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060555842 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188175 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082397 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607439 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484556 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880453 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511906 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769638 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.212099650116126 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915325 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314504 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935237 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 4 iterations. iteration 25: trace = 1.211829202049093 (0.00264223% change) linmin: converged after 4 iterations. iteration 26: trace = 1.211809541117955 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378116 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161111 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648672 (0.00327605% change) linmin: converged after 12 iterations. iteration 30: trace = 1.211675291898178 (0.00195222% change) linmin: converged after 4 iterations. iteration 31: trace = 1.211662280998979 (0.0010738% change) linmin: converged after 6 iterations. iteration 32: trace = 1.211643382935836 (0.00155969% change) linmin: converged after 3 iterations. iteration 33: trace = 1.21162659992948 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078076388 (0.00103348% change) linmin: converged after 3 iterations. iteration 35: trace = 1.211602453573654 (0.000959427% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303621 (0.000342518% change) linmin: converged after 5 iterations. iteration 37: trace = 1.211596448985042 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613230226 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534408696 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947233665 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638927 (6.0383e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891730514 (2.67342e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.211589741312548 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153671 (4.80021e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.211589639031611 (3.64167e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.211589594611976 (3.66623e-06% change) linmin: converged after 16 iterations. iteration 47: trace = 1.21158956839903 (2.16352e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.211589556367128 (9.93067e-07% change) linmin: converged after 12 iterations. iteration 49: trace = 1.211589549125041 (5.97734e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.2115895441677 (4.0916e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501929 (3.85095e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 1.211589533344457 (5.08214e-07% change) linmin: converged after 9 iterations. iteration 53: trace = 1.211589524572527 (7.24002e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 1.211589518683627 (4.86047e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 1.211589515923279 (2.27829e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935591 (2.46592e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 1.211589509905646 (2.5008e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 1.211589507242269 (2.19825e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504814006 (2.0042e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 1.211589503458499 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828647 (5.19856e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 1.211589502438252 (3.22217e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003797 (3.58582e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370284 (5.22878e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031977 (2.79226e-08% change) linmin: converged after 3 iterations. iteration 66: trace = 1.211589500878287 (1.2685e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 1.21158950079275 (7.05987e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767795 (2.05974e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.21158950075596 (9.76814e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.21158950075149 (3.68917e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746368 (4.22797e-10% change) linmin: converged after 7 iterations. iteration 72: trace = 1.211589500739956 (5.29166e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.211589500735592 (3.60212e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 1.211589500732078 (2.90002e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.21158950073009 (1.64134e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 1.211589500729285 (6.64527e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 25.684725761413574 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091568 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650495 (0.0642985% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.185852279461953 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945269 (2.82781e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930404 (7.99847e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37184e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206386292 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626458423 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.32635914351785 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417050729 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659992566 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842349925 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191028 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891297 (0.00295265% change) linmin: converged after 17 iterations. iteration 9: trace = 1.321739521847481 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.32172572941 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827627019 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967652 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062615 (9.79716e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.321713670509885 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167839179 (3.80317e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.321712690348121 (3.61267e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.321712534926184 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068828 (6.37339e-06% change) linmin: converged after 10 iterations. iteration 19: trace = 1.32171239202251 (4.43862e-06% change) linmin: converged after 21 iterations. iteration 20: trace = 1.321712300288046 (6.94058e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.321712123338654 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019293129 (7.87203e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507513 (1.35268e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646560349 (1.46739e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.32171153630515 (8.34185e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.321711488278091 (3.6337e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300561 (1.28451e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138105 (3.14929e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116482 (7.72955e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723406 (2.97399e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580958 (1.07776e-08% change) linmin: converged after 12 iterations. iteration 32: trace = 1.321711465510911 (5.29973e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480893 (2.27109e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470898 (7.56242e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.321711465466492 (3.33341e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.321711465464968 (1.15297e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 1.321711465463817 (8.71069e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 13.463261127471924 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791531 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15879e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000717308 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05437e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80896e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4468e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841856 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219118 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.67324e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2385111399178054 (4.84333e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670020124 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404602893 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.31830807614734 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425799536 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727764998 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321375499 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402655878 (0.00105619% change) linmin: converged after 5 iterations. iteration 8: trace = 1.31780603387865 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113936861 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254173948 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412525109 (6.38679e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.317796108428165 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055313722 (4.03055e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024469763 (2.34057e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013250307 (8.5138e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 1.317796004194447 (6.87197e-07% change) large trace change predicted (1.71398e-06%) linmin: converged after 4 iterations. iteration 17: trace = 1.317795981607712 (1.71398e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944620041 (2.80678e-06% change) large trace change predicted (6.37213e-06%) linmin: converged after 3 iterations. iteration 19: trace = 1.317795860650072 (6.372e-06% change) linmin: converged after 12 iterations. iteration 20: trace = 1.317795777380561 (6.31885e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 1.31779574800059 (2.22948e-06% change) linmin: converged after 16 iterations. iteration 22: trace = 1.317795733123424 (1.12894e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.317795727441445 (4.31173e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798869 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846536 (7.22671e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.317795723608519 (1.80617e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.317795723503124 (7.99781e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.317795723438862 (4.87649e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.317795723419224 (1.49024e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411639 (5.75552e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.317795723409143 (1.89407e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.31779572340844 (5.3363e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 7.146764755249023 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.71985e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.30469e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 5.09285e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.09166e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.67165e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.0908e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398264 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848053 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 12 iterations. iteration 7: trace = 0.3098213371286763 (2.99596e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3098213371284357 (7.76529e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189141428 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993799497 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436182195 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.30752816825027 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.30710837640601 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612857335 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046916447 (0.00356296% change) linmin: converged after 5 iterations. iteration 8: trace = 1.30690316799575 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582452536 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468965577 (0.000161718% change) linmin: converged after 6 iterations. iteration 11: trace = 1.306893729383213 (5.65908e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106725554 (4.76441e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656149497 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.30689237076729 (2.18367e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.306892063585956 (2.35047e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774968052 (2.20843e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.306891306623066 (3.58366e-05% change) large trace change predicted (0.000143899%) linmin: converged after 11 iterations. iteration 18: trace = 1.306889429035959 (0.000143668% change) large trace change predicted (0.000647086%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342257495 (0.000618783% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864835477 (0.00302078% change) linmin: converged after 7 iterations. iteration 21: trace = 1.30681431727907 (0.00210797% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215996903 (0.00260953% change) linmin: converged after 7 iterations. iteration 23: trace = 1.306736703688265 (0.00332979% change) linmin: converged after 5 iterations. iteration 24: trace = 1.306707762015391 (0.00221483% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694950184262 (0.000980471% change) linmin: converged after 7 iterations. iteration 26: trace = 1.306687572013256 (0.000564645% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169874993 (0.000336894% change) linmin: converged after 5 iterations. iteration 28: trace = 1.306680461142352 (0.000207299% change) linmin: converged after 3 iterations. iteration 29: trace = 1.306678614061887 (0.000141357% change) linmin: converged after 5 iterations. iteration 30: trace = 1.306677292167454 (0.000101165% change) linmin: converged after 3 iterations. iteration 31: trace = 1.306676263847242 (7.86974e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 1.306675403364562 (6.58528e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674673046392 (5.58913e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.306674108939373 (4.31712e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 1.306673737743566 (2.84077e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.30667351396107 (1.71261e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.30667336254353 (1.1588e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.306673228441995 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109728395 (9.08518e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.306673026788126 (6.34744e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971290257 (4.24727e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203631 (3.06784e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 1.306672900420406 (2.35585e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.306672873955531 (2.02536e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.30667284995383 (1.83686e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.30667282803325 (1.67759e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.306672808494411 (1.49531e-06% change) linmin: converged after 14 iterations. iteration 48: trace = 1.306672792916271 (1.1922e-06% change) linmin: converged after 10 iterations. iteration 49: trace = 1.306672780727505 (9.32809e-07% change) linmin: converged after 11 iterations. iteration 50: trace = 1.306672769619262 (8.50117e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 1.30667275826849 (8.68677e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746661385 (8.88295e-07% change) linmin: converged after 6 iterations. iteration 53: trace = 1.306672734228445 (9.51496e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.306672719745739 (1.10837e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.306672703450572 (1.24707e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.30667268574403 (1.35509e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 1.306672664175223 (1.65067e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.306672633630349 (2.33761e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.306672591460604 (3.22726e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 1.306672545961993 (3.48202e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 1.306672503510987 (3.24879e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 1.306672460349332 (3.30317e-06% change) linmin: converged after 13 iterations. iteration 63: trace = 1.306672416062792 (3.38926e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 1.306672371464127 (3.41315e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 1.306672322038946 (3.78252e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 1.306672266788318 (4.22835e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213751226 (4.05894e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.306672169749355 (3.36748e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 1.306672130588269 (2.99701e-06% change) resetting CG direction... large trace change predicted (6.25532e-06%) linmin: converged after 16 iterations. iteration 70: trace = 1.306672048852402 (6.25527e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012705562 (2.76633e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000109404 (9.63988e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995821452 (3.28158e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993013895 (2.14863e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990411293 (1.99178e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 1.30667198915404 (9.62179e-08% change) linmin: converged after 25 iterations. iteration 77: trace = 1.306671988478535 (5.16966e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987984886 (3.77791e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987250895 (5.61726e-08% change) large trace change predicted (1.1298e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985774619 (1.1298e-07% change) large trace change predicted (2.50107e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982506565 (2.50105e-07% change) large trace change predicted (5.4206e-07%) linmin: converged after 11 iterations. iteration 82: trace = 1.306671975423662 (5.42057e-07% change) linmin: converged after 8 iterations. iteration 83: trace = 1.306671966779786 (6.61518e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 1.306671961716131 (3.87523e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.306671959301204 (1.84815e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 1.306671956817843 (1.90052e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127963 (1.29327e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377692 (5.74185e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 1.306671954035964 (2.61526e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899621 (1.04344e-08% change) linmin: converged after 3 iterations. iteration 91: trace = 1.306671953836773 (4.80977e-09% change) linmin: converged after 5 iterations. iteration 92: trace = 1.306671953798491 (2.92969e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790936 (5.78209e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 1.306671953788964 (1.50933e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788107 (6.55595e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 13.520308494567871 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 8.98754e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 4.04091e-16i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -2.36127e-11 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -1.84978e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -4.84174e-12 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -4.92353e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371674 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769492 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522111 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3749802404009221 (1.59362e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.374980240382886 (4.80989e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822896 (1.59037e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3749802403822775 (3.22722e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037468976 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309343067 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984123772 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230165745 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339058738 (0.0146679% change) linmin: converged after 3 iterations. iteration 6: trace = 1.287483849663597 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.286852872035689 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 9 iterations. iteration 8: trace = 1.285207985524536 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768320604 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500817555 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726278301 (0.231794% change) linmin: converged after 9 iterations. iteration 12: trace = 1.275637347194566 (0.151604% change) linmin: converged after 6 iterations. iteration 13: trace = 1.274202244926636 (0.112564% change) linmin: converged after 6 iterations. iteration 14: trace = 1.273022593151316 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215512613 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536153105 (0.0576135% change) linmin: converged after 8 iterations. iteration 17: trace = 1.270883530954769 (0.0365038% change) linmin: converged after 6 iterations. iteration 18: trace = 1.270618409254573 (0.0208634% change) linmin: converged after 6 iterations. iteration 19: trace = 1.270378371272835 (0.0188932% change) linmin: converged after 7 iterations. iteration 20: trace = 1.270104933850805 (0.0215264% change) linmin: converged after 4 iterations. iteration 21: trace = 1.269895617280796 (0.0164816% change) linmin: converged after 6 iterations. iteration 22: trace = 1.269782882745059 (0.00887786% change) linmin: converged after 7 iterations. iteration 23: trace = 1.269719750687436 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766451559 (0.00338539% change) linmin: converged after 5 iterations. iteration 25: trace = 1.269642283701054 (0.00271591% change) linmin: converged after 3 iterations. iteration 26: trace = 1.269619087414573 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472691354 (0.000914824% change) linmin: converged after 6 iterations. iteration 28: trace = 1.26960075952771 (0.00052876% change) linmin: converged after 11 iterations. iteration 29: trace = 1.269595125044792 (0.000443801% change) linmin: converged after 6 iterations. iteration 30: trace = 1.269590376582243 (0.000374015% change) linmin: converged after 8 iterations. iteration 31: trace = 1.269587297967761 (0.000242489% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545822664 (0.000138009% change) linmin: converged after 6 iterations. iteration 33: trace = 1.269584427092741 (8.81178e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532197 (6.44747e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.269583043842194 (4.44784e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.269582710117496 (2.62862e-05% change) linmin: converged after 11 iterations. iteration 37: trace = 1.269582517553372 (1.51675e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.269582385132086 (1.04303e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.269582283106135 (8.03618e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.269582214899105 (5.3724e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.269582174667709 (3.16887e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 1.269582148213005 (2.08373e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127625049 (1.62163e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.269582111948474 (1.23478e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 1.269582102246501 (7.64186e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 1.269582096787492 (4.29985e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349984 (2.70759e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147439 (1.73486e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 1.26958208980672 (1.05603e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 1.269582088919595 (6.98754e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 1.269582088274996 (5.07726e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760964 (4.04883e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 1.269582087362722 (3.1368e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 1.269582087136661 (1.7806e-08% change) linmin: converged after 9 iterations. iteration 55: trace = 1.269582087016048 (9.50018e-09% change) linmin: converged after 7 iterations. iteration 56: trace = 1.269582086921809 (7.42286e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 1.269582086848856 (5.74622e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086811074 (2.97592e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 1.269582086792603 (1.45489e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 1.26958208678127 (8.92651e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771783 (7.47295e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086762962 (6.94774e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.269582086756905 (4.77081e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.26958208675339 (2.76878e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751108 (1.79758e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.26958208674982 (1.01405e-10% change) linmin: converged after 17 iterations. iteration 67: trace = 1.269582086748789 (8.12391e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 16.66835308074951 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 6.04367e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + -2.46288e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 1.97312e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 1.23558e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 1.15109e-11 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 2.34675e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169221 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.402503461195553 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120756 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536846 (5.5398e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024193537529455 (1.83672e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4024193537529305 (3.72448e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896085778 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423794865 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101538 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273219 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.240049955230067 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550806 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.240045445498691 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286185 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300232 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080152 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186143 (7.20948e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 1.240045257084784 (8.17386e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 1.240045257064697 (1.61986e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.24004525706123 (2.79533e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 1.240045257060959 (2.18813e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 3.939737319946289 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by 1.59637e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by -1 + 1.53943e-14i; max ampl. = 0.472309 Fixing e-field (band 6) phase by -2.37317e-11 + -1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 2.49106e-15i; max ampl. = 0.600013 Fixing e-field (band 8) phase by -7.61896e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + -2.50349e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896235 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898796 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.2090774143742964 at Vector3<0.0, 0.0, 0.0> to 0.2647069574281045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.2527689948075879 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.3373371031125568 at Vector3<0.0, 0.0, 0.0> to 0.44249766491694126 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.44826277655382385 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.468390327176045 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.45149540295292095 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4713194836227727 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801745 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925342 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.4629066580431404 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324135 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% total elapsed time for run: 81.51580381393433 done /tmp/meepYM7cP9/test_line_defect-0: 81.55s /tmp/meepYM7cP9/test_list_split-0 ======================== /tmp/meepYM7cP9/test_list_split-0: 0.00s /tmp/meepYM7cP9/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0036067962646484375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3132319450378418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.709820032119751 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5476655960083008 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.4531693458557129 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5881786346435547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.4471316337585449 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.5565545558929443 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.452559232711792 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.25873851776123047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.26467180252075195 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2571866512298584 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.26087450981140137 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.2605445384979248 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.587780237197876 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.1300523281097412 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.1834022998809814 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 10.2861328125 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0040171146392822266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3811626434326172 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.3714559078216553 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5527517795562744 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5256180763244629 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6432089805603027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.1856358051300049 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.8976955413818359 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5878384113311768 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2434237003326416 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.20825910568237305 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.5133035182952881 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.278120756149292 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.2951321601867676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2977938652038574 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.6010258197784424 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 1.0137693881988525 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 10.60319185256958 done /tmp/meepYM7cP9/test_load_and_save_eigenvectors-0: 20.90s /tmp/meepYM7cP9/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0025022029876708984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.4898474331528381 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.225635440105843 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470997 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911659 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372628 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528239 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 5 iterations. iteration 9: trace = 0.20908357456065 (9.06071e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2090835294053879 (2.15968e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 0.2090835264202497 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060448 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751922 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708316 (2.08556e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2090835261706046 (1.08588e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.012142181396484375 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886063 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837789 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046524 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630085 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068837 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810976 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596138 (0.0017462% change) linmin: converged after 14 iterations. iteration 12: trace = 0.2014078549180834 (0.000446278% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2014061973776621 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838685192 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218137718 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010267281 (1.0321e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2014046853811636 (7.76822e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2014046607647911 (1.22223e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2014046519840341 (4.35976e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.2014046509571271 (5.09873e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 0.201404650782628 (8.66411e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2014046504701466 (1.55151e-07% change) linmin: converged after 24 iterations. iteration 23: trace = 0.2014046502170883 (1.25647e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.201404650174863 (2.09654e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 0.2014046501695736 (2.62627e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.2014046501670944 (1.23096e-09% change) large trace change predicted (2.5428e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.201404650161976 (2.54133e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 0.2014046501601651 (8.99114e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599528 (1.05425e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.048548221588134766 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853602696 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.187932965403088 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162403 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599349 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411789 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1879007301109863 (1.24012e-06% change) linmin: converged after 13 iterations. iteration 7: trace = 0.1879007300208399 (4.79755e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1879007300173994 (1.831e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.01384735107421875 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204473955 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.176867633415328 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.176857607226484 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062108 (0.000233816% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1768571846110664 (5.14265e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1768571842635598 (1.9649e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1768571842571172 (3.64287e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1768571842568873 (1.29944e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.013340950012207031 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697398 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280544 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796341 (0.00405164% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1701630475985812 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206584 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28408e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1701630436771916 (1.47057e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.011629104614257812 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068122 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333089 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.167954204675805 (0.000126897% change) linmin: converged after 2 iterations. iteration 5: trace = 0.167954201880074 (1.66458e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1679542017770078 (6.13657e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.167954201774932 (1.23591e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.011714696884155273 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940614 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082772 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1727422906716331 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861118 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682354 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677769 (2.65437e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.011918067932128906 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524435 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1859938669738664 (0.00204807% change) linmin: converged after 19 iterations. iteration 4: trace = 0.1859937714047323 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390203 (2.94232e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1859937688378917 (6.06823e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.014951467514038086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787785 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067429 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2041420414998278 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330258 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2041420413291271 (1.9098e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.03287863731384277 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738395 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831464 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306991 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069986 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975027 (6.60147e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967374 (3.46671e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.05050039291381836 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2286358930851744 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636124 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2277123246168995 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063265 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.227712284417164 (4.34391e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.227712284386013 (1.368e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2277122843842669 (7.66802e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.050460100173950195 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707298 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 5 iterations. iteration 4: trace = 0.2201021533223286 (0.939334% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2194887472932665 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.219464625857311 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027367 (0.000487029% change) linmin: converged after 5 iterations. iteration 8: trace = 0.21946331464528 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 5 iterations. iteration 9: trace = 0.2194627106479068 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688222 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143564 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685686 (2.08636e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35736e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026467 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.21946249550052 (9.69019e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.0708458423614502 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646439 (1.03552e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2042021396248772 (4.90408e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245605 (1.55114e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.03741931915283203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193464 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458177 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392235 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1959313854311262 (3.27123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1959313854307267 (2.03891e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.025887012481689453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724113 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.200826490458241 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842622 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565632 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968736 (6.97596e-05% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2007748486133251 (2.88061e-06% change) linmin: converged after 18 iterations. iteration 7: trace = 0.2007748484344857 (8.90746e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304177 (2.02616e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2007748484302034 (1.06765e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.027520418167114258 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222553 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500307 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365137 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542952 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2090835247433783 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.209083513086021 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2090835123374098 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673798 (3.34938e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835122583802 (4.30429e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572214 (5.54226e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.03737282752990723 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% total elapsed time for run: 0.4841771125793457 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.016106605529785156 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737096 (198.885% change) linmin: converged after 10 iterations. iteration 2: trace = 0.1466798479702051 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884268152 (7.01511% change) linmin: converged after 8 iterations. iteration 4: trace = 0.1336076174223923 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030186226 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124266258 (0.0253156% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772349639 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685219587 (0.000609643% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640372008 (0.00015415% change) linmin: converged after 5 iterations. iteration 10: trace = 0.132652933776196 (2.28122e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.1326529311517175 (1.97845e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529297895745 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923156 (7.33183e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 0.1326529296662337 (1.96618e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624064 (2.8852e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621593 (1.86261e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.04166126251220703 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952345748 (5.99259% change) linmin: converged after 8 iterations. iteration 2: trace = 0.1318813366874341 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680470923077 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043076221041 (1.97841% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263881412687 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322441814143 (0.0737925% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1275021779741062 (0.0235782% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865964471 (0.0476116% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300391561 (0.0231165% change) linmin: converged after 4 iterations. iteration 10: trace = 0.127409384942529 (0.00207604% change) linmin: converged after 4 iterations. iteration 11: trace = 0.127409008275602 (0.000295636% change) linmin: converged after 5 iterations. iteration 12: trace = 0.1274085198437589 (0.000383358% change) linmin: converged after 5 iterations. iteration 13: trace = 0.1274080628431376 (0.00035869% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683518 (6.55962e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.1274079726496691 (5.19487e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698066937 (2.2314e-06% change) linmin: converged after 12 iterations. iteration 17: trace = 0.1274079642225557 (4.38288e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1274079624507169 (1.39068e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.127407962318043 (1.04133e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.1274079622925221 (2.00308e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1274079622440875 (3.80154e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155688 (2.23838e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.1274079622132367 (1.83038e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 0.1274079622129682 (2.10812e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.1274079622125828 (3.0246e-10% change) linmin: converged after 21 iterations. iteration 26: trace = 0.1274079622122124 (2.9074e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.15378808975219727 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698992929 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382666 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343674 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 17 iterations. iteration 5: trace = 0.1169623892439101 (3.38126e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1169623869324879 (6.70185e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1169623869302094 (1.94808e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.0420382022857666 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330979 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363016 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989981 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.107479449202565 (6.41651e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.10747944899274 (6.41203e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1074794489925577 (1.69613e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.0620112419128418 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.101413708350161 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944227 (0.0693375% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478893 (1.21745e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.04950690269470215 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312489 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477763 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840848 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.0992454023723215 (1.04396e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.09924540235031681 (2.2172e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.09924540234966142 (6.60376e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.026505470275878906 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.102374875635537 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883403 (0.000682118% change) linmin: converged after 21 iterations. iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170789 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.102344111210816 (6.11943e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1023441112106435 (1.68631e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.016771793365478516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369512 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294544 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817411 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 12 iterations. iteration 5: trace = 0.1111004875283869 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048887 (2.11504e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044872 (3.61458e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.03374981880187988 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803056937 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077914 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291922 (0.00389598% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1236552585512288 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722957 (6.38332e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02949e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.024077892303466797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1365861283694587 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) linmin: converged after 3 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747934 (5.0038e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.03244137763977051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617778 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.141582779194314 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312478 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22796e-09% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.0296022891998291 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1391285125980508 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816253 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281961 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256682 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 8 iterations. iteration 9: trace = 0.1366079217893785 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222035 (0.000652942% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1366069869567214 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853872576 (1.14889e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1366069843523761 (7.57561e-07% change) large trace change predicted (2.51115e-06%) linmin: converged after 16 iterations. iteration 14: trace = 0.1366069809219603 (2.51116e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728949 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486546 (1.77445e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469425 (1.25329e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.13660698014441 (1.85386e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 0.1366069801394008 (3.66686e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387246 (4.94983e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.05259394645690918 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330211958 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472061 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205977 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632082 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566787 (5.08902e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1283044775564041 (2.14033e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.013848066329956055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759989881 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431211 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028865 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569695 (0.000224639% change) linmin: converged after 3 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1250652866511766 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05563e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.4756e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.029611587524414062 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754086 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499594 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.128744497849947 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198241 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657534 (8.20547e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623984 (2.60597e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.030019283294677734 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581134822 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.133095702821382 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029242 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523272 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658704 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655155 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152224 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.132652945264607 (8.75921e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.1326529452610045 (2.71578e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 0.1326529452608697 (1.01583e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.022274494171142578 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% total elapsed time for run: 0.6788549423217773 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002791166305541992 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.654925390620016 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.309127554574498 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641901 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576722 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397315 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779296 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298258806017678 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982560426838611 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263999 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543166 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108617 (0.000106502% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2982519598579504 (5.91879e-06% change) linmin: converged after 25 iterations. iteration 13: trace = 0.2982519583456513 (5.07054e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2982519560571793 (7.67295e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 0.2982519551981031 (2.88037e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551550084 (1.44491e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2982519551524453 (8.5938e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507783 (5.58923e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.43345e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.03486180305480957 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.296625031537239 (4.81134% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2810412199539083 (5.39544% change) linmin: converged after 12 iterations. iteration 3: trace = 0.279707555950153 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858724529 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788775924 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192272173 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509398 (0.000408587% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2795911968916507 (2.85986e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2795911512747838 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.279591139219289 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567464 (4.15801e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2795911379221784 (4.81303e-08% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2795911378697271 (1.876e-08% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2795911378501715 (6.99437e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480384 (7.62925e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.053064584732055664 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2622850419913114 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441836 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243494 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419112 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623717 (0.000111867% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2611842413682738 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2611842409879023 (1.45633e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2611842409520099 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85697e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.014113187789916992 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2495890152828734 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349513 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963266 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373554 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2490993774413393 (1.21069e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2490993774400478 (5.18466e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.02695941925048828 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615218 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2424595800284271 (0.125854% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2424461076700272 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513502 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.242445714710256 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82256e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2424457144901445 (2.56238e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.2712864875793457 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2406037838644208 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913600188 (0.104331% change) linmin: converged after 3 iterations. iteration 3: trace = 0.240344605830093 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818102 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.240344272608517 (2.48531e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2403442724382655 (7.08365e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2403442724330159 (2.18423e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.03664422035217285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195067 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.247813601181322 (0.000688232% change) linmin: converged after 11 iterations. iteration 4: trace = 0.2478135705407399 (1.23644e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2478135698495613 (2.78911e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2478135698281643 (8.63432e-09% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2478135698278281 (1.35679e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.024561643600463867 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126411 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456906 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479117 (4.25971e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2687921840676185 (9.22755e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2687921840087608 (2.18971e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2687921840070879 (6.2235e-10% change) linmin: converged after 8 iterations. iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.026540279388427734 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313863 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488108 (0.147789% change) linmin: converged after 16 iterations. iteration 3: trace = 0.2984110530872368 (0.00393619% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2984106728909152 (0.000127407% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2984106621553145 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2984106619110481 (8.18558e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2984106619038377 (2.41627e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.026142120361328125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3278879623914542 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976842 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3267691490121233 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855296 (1.36875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3267691033363583 (2.90472e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3267691033112136 (7.69497e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3267691033102652 (2.90221e-10% change) linmin: converged after 16 iterations. iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.03142857551574707 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.341094997463101 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905774 (0.0182379% change) linmin: converged after 3 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700712 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176962 (5.75694e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3391341088659967 (1.52446e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3391341088634663 (7.46141e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.022092342376708984 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444035 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426137 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.326379624479109 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799803 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.321548530039317 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095878 (0.00701071% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3215240569133013 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989131 (0.00088974% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3215198890578121 (0.00040655% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3215197879153998 (3.14576e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3215197847617492 (9.80857e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3215197841679531 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625632 (3.43802e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 0.321519782785552 (8.61568e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.3215197827696916 (4.93295e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.3215197827690929 (1.86223e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.07659029960632324 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2914724979423963 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397658 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380552 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217772 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190731 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741393 (1.54879e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2901214013724242 (5.91176e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.04016900062561035 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778212 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369415 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276491 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.27086079023786 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884341 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.270860725965226 (7.46955e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2708607258906749 (2.75238e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2708607258855506 (1.89185e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2708607258851873 (1.34115e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.03732562065124512 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374121149 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722729 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629709 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.275094368246518 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818913 (1.68897e-07% change) linmin: converged after 31 iterations. iteration 8: trace = 0.2750943677030428 (2.86623e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2750943676888271 (5.16759e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2750943676881245 (2.55385e-10% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.18997645378112793 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3063507184999051 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400187919 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850148023 (1.40606% change) linmin: converged after 7 iterations. iteration 4: trace = 0.2982983429994934 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418700292 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.298256612754651 (0.000646795% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607023324 (0.000989774% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309343616 (0.000546438% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533168 (2.37655e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2982519569354681 (1.04537e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2982519563685623 (1.90076e-07% change) linmin: converged after 9 iterations. iteration 12: trace = 0.2982519553645563 (3.3663e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2982519551600122 (6.8581e-08% change) linmin: converged after 24 iterations. iteration 14: trace = 0.2982519551499704 (3.36689e-09% change) linmin: converged after 9 iterations. iteration 15: trace = 0.2982519551494986 (1.58166e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.040802001953125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% total elapsed time for run: 0.9575550556182861 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.014998435974121094 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.8865138653874602 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978384 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122446 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.302614189348645 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560045 (0.00556691% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3025960087856284 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074369 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599989 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421136 (5.91063e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 0.3025956959407095 (4.64018e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.03894972801208496 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3046948505447924 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.301216949397526 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.300937460060279 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030406 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741475 (6.16519e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3009297211602808 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658469 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077821 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020472 (1.90573e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.02704024314880371 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2993772621931771 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981857861 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505741 (0.0709335% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2969599541881717 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822417 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647945 (1.45388e-06% change) linmin: converged after 22 iterations. iteration 7: trace = 0.2969598362065993 (8.69462e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.2969598361844072 (7.47309e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819391 (8.31116e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.03584599494934082 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2938435215784326 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839091663 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.292646710573389 (0.033302% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2926449733559786 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.292644919356301 (1.84523e-05% change) linmin: converged after 11 iterations. iteration 6: trace = 0.2926449176893364 (5.6962e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.292644917585685 (3.54188e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.292644917581024 (1.59273e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.292644917580711 (1.06927e-10% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.03611326217651367 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109317 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297266 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299021 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2895143959258292 (1.3494e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2895143959126513 (4.55171e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2895143959121471 (1.74156e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.03697490692138672 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.288397186365051 (0.140753% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2883890967942881 (0.00280505% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2883886834700362 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569958 (2.25842e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2883886767783876 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738496 (1.57356e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.029218196868896484 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003745 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 17 iterations. iteration 4: trace = 0.2982086207857146 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260263 (3.55351e-07% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2982086196950975 (1.03715e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982086196943686 (2.44413e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.023731470108032227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016535 (0.830279% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3265044430836114 (0.0405224% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3264980604168625 (0.00195487% change) linmin: converged after 11 iterations. iteration 4: trace = 0.326497926658615 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973251 (1.12138e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3264979228246055 (5.29006e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3264979228224313 (6.65934e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.02691030502319336 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764001 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296902 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003575 (0.00608219% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3690664377461913 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900566 (5.353e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3690664173327332 (1.78104e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.369066417318338 (3.90042e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.02826523780822754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601687 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169411 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073967 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643571 (3.3645e-05% change) linmin: converged after 19 iterations. iteration 6: trace = 0.4155448000759103 (7.67293e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4155447999425276 (3.20983e-08% change) linmin: converged after 23 iterations. iteration 8: trace = 0.4155447999216209 (5.03117e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210301 (1.42163e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.04725456237792969 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4460423269349527 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.440137635700096 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490917 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759412 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628922 (0.000107525% change) linmin: converged after 6 iterations. iteration 6: trace = 0.4398182203781184 (2.42936e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4398182200041542 (8.5027e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4398182199097641 (2.14612e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058926 (8.80241e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.03578782081604004 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940032047 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158862822 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339504996 (1.64035% change) linmin: converged after 6 iterations. iteration 4: trace = 0.4030720876485605 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480361 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470229 (0.0068844% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4024758244070208 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882406 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024755044224085 (3.25649e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4024754425634776 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798516 (9.64935e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.4024754384625254 (5.39974e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481786 (3.56464e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 0.4024754384464008 (4.41716e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452963 (2.74414e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447279 (1.41221e-10% change) linmin: converged after 16 iterations. iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.05502676963806152 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271065 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916962 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265372 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3476919224042098 (1.6875e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 0.3476919188690364 (1.01675e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3476919187143111 (4.45007e-08% change) linmin: converged after 16 iterations. iteration 8: trace = 0.3476919187046048 (2.79164e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.028714418411254883 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3136744626787956 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681898 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050024 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943587 (0.000937848% change) linmin: converged after 5 iterations. iteration 5: trace = 0.3124701893749382 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944266 (1.04986e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.3124701859365782 (5.05163e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3124701859237753 (4.09729e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3124701859233396 (1.3944e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.030504941940307617 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174376 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553453 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.30144716227416 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917266 (0.00276941% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3014386435309356 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615978 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123749 (8.26778e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.3014386377980787 (4.74265e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3014386377957537 (7.71292e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.03119969367980957 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540695 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438351 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071231 (0.161988% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3025983731804751 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516379 (0.000727346% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3025957192638609 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202267 (4.78415e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3025956959692816 (4.98834e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418699 (9.05885e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3025956959407161 (3.81301e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.025794267654418945 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% total elapsed time for run: 0.5627071857452393 done /tmp/meepYM7cP9/test_maximize_first_tm_gap-0: 2.69s /tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012279510498046875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.0966172218322754 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 3.20477294921875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5548534393310547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5964689254760742 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.685659646987915 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.278618574142456 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6974184513092041 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.31583166122436523 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.6888492107391357 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.502133846282959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4530048370361328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.4161543846130371 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.45948362350463867 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.9450802803039551 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.9698023796081543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.7729077339172363 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 14.658104419708252 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.01615285873413086 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8118247985839844 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.966348648071289 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.30570411682128906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5976011753082275 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5948629379272461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.9170472621917725 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6851232051849365 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5932767391204834 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5150132179260254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.48099851608276367 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.48670220375061035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3846302032470703 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.4545772075653076 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.4780616760253906 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.39287662506103516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7286450862884521 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 10.412841081619263 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0: 25.30s /tmp/meepYM7cP9/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004044294357299805 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5244829654693604 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1797301769256592 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.31609678268432617 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2857513427734375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2915003299713135 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.4781324863433838 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.32706522941589355 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.30129384994506836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.28582310676574707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.287245512008667 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.25287771224975586 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.22250723838806152 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.4407198429107666 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.56211256980896 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.6151697635650635 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.4407682418823242 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 7.818036317825317 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepYM7cP9/test_multiply_bloch_phase-0: 7.83s /tmp/meepYM7cP9/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.008229494094848633 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5959222316741943 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 3.30495548248291 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5316827297210693 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.4926755428314209 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5795073509216309 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.8737876415252686 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3774547576904297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.41311192512512207 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5044589042663574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5783984661102295 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4741823673248291 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.37759971618652344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.4298062324523926 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6142630577087402 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7097606658935547 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9019889831542969 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 11.770480871200562 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepYM7cP9/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepYM7cP9/test_output_charge_density-0: 11.80s /tmp/meepYM7cP9/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005051136016845703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3858811855316162 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480435, 0.5288079654921338 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854473, 0.08910010798046349 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.40124649301804716 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258756, 0.4012519910570854 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.0928209317476265, 0.28720566826377647 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.529740810394287 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744274, 0.8445541869972999 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.76159973555864, 0.4427396122966541 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.774682184614493, 0.536749112341897 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409558, 0.3120181983255001 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.3891333928974031 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968462, 0.2776208840057367 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633575, 0.6676492387493533 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.40010976791381836 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776014, 0.794273793681514 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676533, 0.30077174113971683 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553598, 0.5586605740288401 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076888, 0.5941655354266827 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364988, 0.35472339076138104 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587057, 0.21322445833844317 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343303, 0.6232654987181568 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.23909282684326172 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148872735 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.685449168526309, 0.30054212529308105 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.7833774318115911, 0.5880663066285085 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828623, 0.7295588531246435 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425297, 0.30554099771330806 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879114, 0.24673894372126293 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.096639214965609, 0.5396650770552023 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.44496583938598633 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783214, 0.4356739544115278 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809138, 0.4481425123489123 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426055, 0.613901176676964 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942643, 0.7699338908225002 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.0244294608784883, 0.2578911954965593 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285345, 0.33221314071464336 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.091208062115503, 0.4329317404210019 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.5310161113739014 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.441588449722544, 0.3584484766510552 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450052, 0.5328472337437873 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895480995, 0.6242704622247064 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.846587869582527, 0.7771267587387292 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650219, 0.23681211415368073 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323594138, 0.5782428829117007 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.087868963505269, 0.37950816222974504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7602415084838867 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037098027, 0.3749021561077718 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378552, 0.5082270947616313 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820271, 0.6251503072235425 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386819, 0.7355775624891373 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182574, 0.18697860294069477 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717464, 0.40777640941204735 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294314, 0.6404816835811383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5726556777954102 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749826, 0.42543224667942553 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475778, 0.43806479968823264 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094475, 0.6230094255521763 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422061, 0.5373015422302753 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792417, 0.3526636498457799 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255503, 0.42073899378393825 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150006, 0.7279717672181147 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.21042656898498535 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465532, 0.07946478028057564 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468713, 0.32881162370401207 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.781466869323818, 0.22327322644250844 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502193, 0.6095695047973156 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663711, 0.6540286383396772 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130661, 0.4618905860736039 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214082, 0.761549817160464 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5115735530853271 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598175, 0.0903499596306573 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207214, 0.19597806182936175 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137293, 0.08289042691239858 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258338, 0.577797196952117 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777044, 0.7772986149165845 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709634, 0.5159863025137524 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.111621057536398, 0.7756611032532745 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.5266246795654297 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160883, 0.1196586178679453 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117827, 0.11954218308179224 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757012, 0.026633379719919272 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604536, 0.2997497622839807 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666068, 0.8023568424744522 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.881981813442184, 0.8023816357258953 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556937, 0.7797381408708148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.4131138324737549 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335804, 0.3658958857200597 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356566, 0.1256061520442118 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476281, 0.11295231544475384 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317921, 0.5738505597977357 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893149, 0.7904020720487933 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990091, 0.48184989547070506 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958845, 0.770610082838527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 1.527512550354004 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392887, 0.6769327340989405 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500913942 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677109, 0.5562411649880549 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212932, 0.24643500245468974 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160474, 0.7471141728536034 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.0102032173309077, 0.3807469886775263 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865556, 0.7236183032341824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 4.630728721618652 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208419, 0.776089779274942 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314983, 0.2209621669851284 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516223, 0.5549181091420519 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636716, 0.6405660798575922 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405538, 0.31622629536251884 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408293993, 0.46522856193932866 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.090385645879672, 0.5462861490341253 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 1.3819465637207031 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904063, 0.8350614780723612 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.38702956037312425 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874305, 0.5369475337126824 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928066, 0.39062131308644865 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351244, 0.3640423031892137 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740384, 0.3229108453554062 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1000367447866688, 0.648922709689131 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.9519166946411133 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.773229883948055, 0.52880796857026 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195855863, 0.08910054416160851 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882837, 0.40124662932457655 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257027, 0.4012520176853139 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317477913, 0.28720537908724586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 17.725994110107422 done /tmp/meepYM7cP9/test_output_dpwr_in_objects-0: 17.75s /tmp/meepYM7cP9/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012493610382080078 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 1.1571342945098877 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.21841096878051758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.10860633850097656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.10086512565612793 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.10020661354064941 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.11041569709777832 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.09762072563171387 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.08971929550170898 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.4485747814178467 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.34359288215637207 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.3601036071777344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.4337184429168701 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.29965925216674805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.3709084987640381 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.19782447814941406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.43120789527893066 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 4.884284257888794 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepYM7cP9/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepYM7cP9/test_output_efield_z-0: 4.90s /tmp/meepYM7cP9/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004113912582397461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.3919522762298584 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 3.4638378620147705 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2123706340789795 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.21711039543151855 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.4260222911834717 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.926201343536377 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7981839179992676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.4643425941467285 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3239312171936035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.6020951271057129 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.6578288078308105 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.47844600677490234 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.4069480895996094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.5694434642791748 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7742393016815186 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.899641990661621 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 13.621763706207275 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepYM7cP9/test_output_field_to_file-0-epsilon.h5... /tmp/meepYM7cP9/test_output_field_to_file-0: 13.70s /tmp/meepYM7cP9/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.06258392333984375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.3831803798675537 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 4.407744884490967 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.655247688293457 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2345876693725586 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.23368358612060547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.879345178604126 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7831811904907227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6639893054962158 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.51766037940979 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5927245616912842 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.23877477645874023 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.19536900520324707 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.20823407173156738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2806692123413086 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.8908743858337402 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 2.16862416267395 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 14.39958381652832 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepYM7cP9/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepYM7cP9/test_output_tot_pwr-0: 14.42s /tmp/meepYM7cP9/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.20543146133422852 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.9773582023559152 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987914 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418229 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2538047517632827 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485482 (0.506821% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2513324422133415 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456115726 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415015 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292775 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617221 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333104 (0.000308277% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2503350629329604 (0.00025366% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2503346861323353 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388485 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842641583 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 6 iterations. iteration 17: trace = 0.2503200648277941 (0.00500125% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2503038592918309 (0.00647414% change) linmin: converged after 4 iterations. iteration 19: trace = 0.2502978020837006 (0.00241997% change) linmin: converged after 6 iterations. iteration 20: trace = 0.2502965572166734 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707163532 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722228 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253181 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855963 (2.05346e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.250295517062488 (2.48949e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.2502955167761253 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556169 (1.28052e-07% change) linmin: converged after 7 iterations. iteration 28: trace = 0.2502955162302593 (9.00366e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423229 (1.54991e-07% change) large trace change predicted (7.06245e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746271 (7.06243e-07% change) large trace change predicted (1.92422e-06%) linmin: converged after 6 iterations. iteration 31: trace = 0.2502955092582567 (1.92427e-06% change) linmin: converged after 9 iterations. iteration 32: trace = 0.2502955074678324 (7.15324e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409572 (1.30596e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 0.2502955070820929 (2.35179e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452399 (1.47238e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.250295507031224 (5.59974e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289675 (9.01523e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.2502955070287157 (1.00623e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.2502955070286879 (1.10891e-11% change) Finished solving for bands 1 to 10 after 39 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077233898725 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244642872523 (118.359% change) linmin: converged after 14 iterations. iteration 3: trace = 0.5830461806925314 (19.4723% change) linmin: converged after 5 iterations. iteration 4: trace = 0.5699441144512948 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912966595823 (1.72596% change) linmin: converged after 8 iterations. iteration 6: trace = 0.5549770053260779 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217793739742 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881752849213 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197783370126 (0.0485651% change) linmin: converged after 4 iterations. iteration 10: trace = 0.5524120846135634 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402469584 (0.0131694% change) linmin: converged after 6 iterations. iteration 12: trace = 0.5523162607151277 (0.00417859% change) linmin: converged after 6 iterations. iteration 13: trace = 0.5523079347101146 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045774295 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348504931 (0.00012126% change) linmin: converged after 7 iterations. iteration 16: trace = 0.5523044939041413 (2.55197e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.552304436370554 (1.0417e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.5523044197504279 (3.00923e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605478 (5.05134e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 0.5523044161634796 (1.44317e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163841 (6.2845e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 0.55230441569158 (2.2597e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 0.5523044156388207 (9.55257e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.5523044156091991 (5.36328e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156003197 (1.60769e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970738 (5.87712e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956438 (2.58909e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.5523044155954007 (4.40226e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666542909068 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.78473693853849 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333415733299 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080400754 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437353265 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989122437 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867796627 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951039055 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878340769326 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509053679 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866377996372 (0.0235857% change) linmin: converged after 5 iterations. iteration 12: trace = 1.36962780390677 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.369391088062188 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936341475 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043664265 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.368967099875689 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763088875 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565082315 (0.00279041% change) linmin: converged after 4 iterations. iteration 19: trace = 1.368847148201917 (0.00251427% change) linmin: converged after 4 iterations. iteration 20: trace = 1.368816057033324 (0.00227137% change) linmin: converged after 4 iterations. iteration 21: trace = 1.368795335795347 (0.00151382% change) linmin: converged after 4 iterations. iteration 22: trace = 1.368783116278413 (0.000892725% change) linmin: converged after 6 iterations. iteration 23: trace = 1.368774313873091 (0.000643085% change) linmin: converged after 4 iterations. iteration 24: trace = 1.368767027164953 (0.000532354% change) linmin: converged after 6 iterations. iteration 25: trace = 1.368760736431406 (0.000459592% change) linmin: converged after 6 iterations. iteration 26: trace = 1.368755530414332 (0.000380346% change) linmin: converged after 4 iterations. iteration 27: trace = 1.368752119509268 (0.000249198% change) linmin: converged after 9 iterations. iteration 28: trace = 1.368749700077361 (0.000176762% change) linmin: converged after 4 iterations. iteration 29: trace = 1.368747854833705 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521812 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675602 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406366086 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106173446 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.368743978090969 (9.35766e-06% change) linmin: converged after 7 iterations. iteration 35: trace = 1.368743922574735 (4.056e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765814 (1.88559e-06% change) linmin: converged after 18 iterations. iteration 37: trace = 1.368743884092742 (9.25891e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.36874387767489 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873565343 (3.00242e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515612 (2.22812e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 1.368743865625732 (3.57253e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 1.368743856077915 (6.97561e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.3687438374822 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.36874380410724 (2.43836e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762213652 (3.06073e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 1.368743718469775 (3.19591e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 1.368743667117277 (3.7518e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.368743567912476 (7.24787e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 1.368743413514559 (1.12803e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170386393 (1.77629e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.36874290964695 (1.90496e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678093777 (1.69172e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429369796 (1.81717e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 1.368741979819385 (3.28441e-05% change) large trace change predicted (7.746e-05%) linmin: converged after 4 iterations. iteration 55: trace = 1.368740938892184 (7.605e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.368739090056015 (0.000135076% change) linmin: converged after 7 iterations. iteration 57: trace = 1.368737088931255 (0.000146202% change) linmin: converged after 7 iterations. iteration 58: trace = 1.368735675140507 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.368734891368119 (5.72625e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383035294 (3.71389e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.368733869786366 (3.74981e-05% change) linmin: converged after 8 iterations. iteration 62: trace = 1.36873322977382 (4.67595e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612876597 (4.50707e-05% change) linmin: converged after 9 iterations. iteration 64: trace = 1.368732103613244 (3.72069e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.368731784347857 (2.33256e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593542914 (1.39403e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 1.368731481630388 (8.17637e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.36873140674677 (5.47102e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346615034 (4.39325e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326392317 (1.47748e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305809781 (1.50377e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 1.368731292682878 (9.59056e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.36873127418859 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246832545 (1.99864e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222075328 (1.80877e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.36873120936438 (9.28666e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 1.36873120497952 (3.2036e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 1.368731202163965 (2.05705e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.36873119954496 (1.91345e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196863351 (1.95919e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 1.368731195122205 (1.27209e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194395566 (5.30885e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038993 (2.60514e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193799064 (1.75293e-08% change) linmin: converged after 3 iterations. iteration 85: trace = 1.368731193445163 (2.58561e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939764 (3.69247e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192446014 (3.60736e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191974353 (3.44597e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.36873119146021 (3.75635e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.368731190770239 (5.04095e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.36873118949346 (9.3282e-08% change) linmin: converged after 4 iterations. iteration 92: trace = 1.368731187986773 (1.10079e-07% change) linmin: converged after 6 iterations. iteration 93: trace = 1.36873118608853 (1.38686e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 1.368731183025278 (2.23802e-07% change) linmin: converged after 11 iterations. iteration 95: trace = 1.368731177621037 (3.94836e-07% change) large trace change predicted (9.62641e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164445792 (9.62588e-07% change) large trace change predicted (1.9722e-06%) linmin: converged after 5 iterations. iteration 97: trace = 1.368731137454421 (1.972e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 1.368731113464183 (1.75274e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088552563 (1.82005e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.368731069158598 (1.41693e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 1.368731058835224 (7.5423e-07% change) linmin: converged after 12 iterations. iteration 102: trace = 1.368731053232792 (4.09316e-07% change) linmin: converged after 5 iterations. iteration 103: trace = 1.368731050633556 (1.89901e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.36873104971949 (6.6782e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381487 (2.46946e-08% change) linmin: converged after 13 iterations. iteration 106: trace = 1.368731049212964 (1.23124e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049113038 (7.30065e-09% change) linmin: converged after 6 iterations. iteration 108: trace = 1.368731049042232 (5.17311e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048990504 (3.77926e-09% change) linmin: converged after 8 iterations. iteration 110: trace = 1.368731048950158 (2.94771e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048928328 (1.59488e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 1.368731048916032 (8.98362e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 1.368731048899377 (1.21681e-09% change) linmin: converged after 3 iterations. iteration 114: trace = 1.36873104886784 (2.30409e-09% change) large trace change predicted (6.63168e-09%) linmin: converged after 5 iterations. iteration 115: trace = 1.368731048777066 (6.63202e-09% change) large trace change predicted (2.5378e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429727 (2.53767e-08% change) large trace change predicted (6.62261e-08%) linmin: converged after 9 iterations. iteration 117: trace = 1.36873104752323 (6.6229e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 1.368731045912793 (1.17659e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044216875 (1.23904e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043121761 (8.00095e-08% change) linmin: converged after 8 iterations. iteration 121: trace = 1.368731041992775 (8.24841e-08% change) large trace change predicted (1.95921e-07%) linmin: converged after 6 iterations. iteration 122: trace = 1.368731039311178 (1.95919e-07% change) large trace change predicted (5.71931e-07%) linmin: converged after 7 iterations. iteration 123: trace = 1.368731031485267 (5.71764e-07% change) large trace change predicted (1.36728e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012784502 (1.36628e-06% change) linmin: converged after 7 iterations. iteration 125: trace = 1.368730990367488 (1.6378e-06% change) linmin: converged after 6 iterations. iteration 126: trace = 1.368730976295667 (1.02809e-06% change) linmin: converged after 8 iterations. iteration 127: trace = 1.368730969549118 (4.92905e-07% change) linmin: converged after 4 iterations. iteration 128: trace = 1.368730962810756 (4.92307e-07% change) large trace change predicted (1.03834e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.36873094858594 (1.03927e-06% change) linmin: converged after 5 iterations. iteration 130: trace = 1.368730920081372 (2.08255e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 1.368730882834771 (2.72125e-06% change) linmin: converged after 5 iterations. iteration 132: trace = 1.368730852396679 (2.22382e-06% change) linmin: converged after 8 iterations. iteration 133: trace = 1.368730837551955 (1.08456e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730831452813 (4.45606e-07% change) linmin: converged after 5 iterations. iteration 135: trace = 1.368730827404748 (2.95753e-07% change) linmin: converged after 5 iterations. iteration 136: trace = 1.368730824204463 (2.33814e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822420989 (1.30301e-07% change) linmin: converged after 6 iterations. iteration 138: trace = 1.368730821966607 (3.31974e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821791054 (1.28259e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 1.368730821728621 (4.56139e-09% change) linmin: converged after 9 iterations. iteration 141: trace = 1.368730821654303 (5.42966e-09% change) linmin: converged after 13 iterations. iteration 142: trace = 1.368730821507535 (1.07229e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821260757 (1.80297e-08% change) linmin: converged after 8 iterations. iteration 144: trace = 1.36873082097219 (2.10828e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820756622 (1.57495e-08% change) linmin: converged after 9 iterations. iteration 146: trace = 1.368730820641313 (8.42448e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820552402 (6.49585e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.368730820416918 (9.89858e-09% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820250079 (1.21893e-08% change) linmin: converged after 2 iterations. iteration 150: trace = 1.368730820107939 (1.03848e-08% change) linmin: converged after 5 iterations. iteration 151: trace = 1.368730819983391 (9.09955e-09% change) linmin: converged after 3 iterations. iteration 152: trace = 1.368730819761438 (1.62159e-08% change) large trace change predicted (3.43357e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819291474 (3.43358e-08% change) linmin: converged after 2 iterations. iteration 154: trace = 1.368730818410742 (6.43466e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730816945762 (1.07032e-07% change) linmin: converged after 4 iterations. iteration 156: trace = 1.368730815482099 (1.06936e-07% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730813979739 (1.09763e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811453384 (1.84576e-07% change) linmin: converged after 4 iterations. iteration 159: trace = 1.3687308066838 (3.48468e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730800936166 (4.19924e-07% change) linmin: converged after 7 iterations. iteration 161: trace = 1.368730796569594 (3.19023e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730793701978 (2.09509e-07% change) linmin: converged after 4 iterations. iteration 163: trace = 1.368730792007114 (1.23827e-07% change) linmin: converged after 14 iterations. iteration 164: trace = 1.368730790449825 (1.13776e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.36873078877671 (1.22238e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787185916 (1.16224e-07% change) linmin: converged after 16 iterations. iteration 167: trace = 1.368730786126542 (7.73983e-08% change) linmin: converged after 6 iterations. iteration 168: trace = 1.368730785641953 (3.54042e-08% change) linmin: converged after 5 iterations. iteration 169: trace = 1.368730785492087 (1.09493e-08% change) linmin: converged after 5 iterations. iteration 170: trace = 1.368730785444299 (3.49139e-09% change) linmin: converged after 7 iterations. iteration 171: trace = 1.368730785431242 (9.5399e-10% change) linmin: converged after 3 iterations. iteration 172: trace = 1.368730785427647 (2.62645e-10% change) linmin: converged after 4 iterations. iteration 173: trace = 1.368730785426458 (8.68561e-11% change) Finished solving for bands 21 to 30 after 173 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230107118482454 (192.441% change) linmin: converged after 10 iterations. iteration 2: trace = 2.817364234098258 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772500907462 (16.673% change) linmin: converged after 5 iterations. iteration 4: trace = 2.264181972599633 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266184760897 (2.63638% change) linmin: converged after 8 iterations. iteration 6: trace = 2.183248746384178 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774130834347 (0.275766% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580412369534 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739063083734 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209820651 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362899544596 (0.0769504% change) linmin: converged after 4 iterations. iteration 13: trace = 2.15417469574553 (0.055143% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097710199354 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804496012086 (0.0256456% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338213212585 (0.0216717% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061655416886 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823285355221 (0.0110821% change) linmin: converged after 5 iterations. iteration 20: trace = 2.150656547787729 (0.00775257% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547249174877 (0.00508223% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480112751344 (0.00312188% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447078138263 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426792532505 (0.000943325% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415528122167 (0.000523823% change) linmin: converged after 4 iterations. iteration 26: trace = 2.150409798893981 (0.000266425% change) linmin: converged after 6 iterations. iteration 27: trace = 2.150405289612916 (0.000209694% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402141190802 (0.000146411% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399522462351 (0.000121779% change) linmin: converged after 8 iterations. iteration 30: trace = 2.150396650386881 (0.00013356% change) linmin: converged after 5 iterations. iteration 31: trace = 2.150393099657709 (0.00016512% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387655108673 (0.000253189% change) linmin: converged after 5 iterations. iteration 33: trace = 2.1503807915581 (0.000319178% change) linmin: converged after 5 iterations. iteration 34: trace = 2.15037377975487 (0.000326073% change) linmin: converged after 5 iterations. iteration 35: trace = 2.150366764596702 (0.00032623% change) linmin: converged after 6 iterations. iteration 36: trace = 2.150359397061859 (0.000342618% change) linmin: converged after 6 iterations. iteration 37: trace = 2.150351903689407 (0.000348471% change) linmin: converged after 11 iterations. iteration 38: trace = 2.150343144579903 (0.000407335% change) linmin: converged after 5 iterations. iteration 39: trace = 2.15033524451654 (0.000367387% change) linmin: converged after 4 iterations. iteration 40: trace = 2.150328828221297 (0.000298386% change) linmin: converged after 5 iterations. iteration 41: trace = 2.150323123441815 (0.000265298% change) linmin: converged after 3 iterations. iteration 42: trace = 2.150319840871659 (0.000152655% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369711702 (0.000114921% change) linmin: converged after 6 iterations. iteration 44: trace = 2.15031548574945 (8.76133e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 2.150314485103042 (4.65349e-05% change) linmin: converged after 7 iterations. iteration 46: trace = 2.150313850325226 (2.95202e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567748621 (1.31412e-05% change) linmin: converged after 7 iterations. iteration 48: trace = 2.150313402389803 (7.68999e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290594153 (5.19904e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233311027 (2.66394e-06% change) linmin: converged after 8 iterations. iteration 51: trace = 2.150313205104588 (1.31174e-06% change) linmin: converged after 2 iterations. iteration 52: trace = 2.150313191064193 (6.52947e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156648 (3.67739e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 2.150313178006798 (2.39493e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.15031317468481 (1.54489e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172987311 (7.89419e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171840801 (5.33183e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 2.150313171039609 (3.72593e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 2.150313170619346 (1.95442e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310902 (1.43442e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.150313170079691 (1.07524e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.15031316987761 (9.39775e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 2.150313169681972 (9.09815e-09% change) linmin: converged after 6 iterations. iteration 64: trace = 2.150313169527739 (7.17259e-09% change) linmin: converged after 3 iterations. iteration 65: trace = 2.15031316935002 (8.26478e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.150313169165146 (8.59755e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 2.150313168972199 (8.97295e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 2.150313168727388 (1.13849e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 2.150313168488697 (1.11003e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 2.15031316838449 (4.84615e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 2.150313168200631 (8.55034e-09% change) linmin: converged after 3 iterations. iteration 72: trace = 2.150313168068283 (6.15482e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167955831 (5.22958e-09% change) linmin: converged after 4 iterations. iteration 74: trace = 2.150313167849667 (4.93712e-09% change) linmin: converged after 2 iterations. iteration 75: trace = 2.150313167775666 (3.44142e-09% change) linmin: converged after 3 iterations. iteration 76: trace = 2.15031316769171 (3.90438e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167607504 (3.91597e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167538014 (3.23163e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462598 (3.50719e-09% change) linmin: converged after 2 iterations. iteration 80: trace = 2.150313167392543 (3.25792e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.15031316730351 (4.14044e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 2.150313167175226 (5.96583e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.150313167058024 (5.45049e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.150313166920506 (6.39525e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761667 (7.38677e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166661037 (4.67979e-09% change) linmin: converged after 2 iterations. iteration 87: trace = 2.150313166582903 (3.63359e-09% change) linmin: converged after 7 iterations. iteration 88: trace = 2.150313166516761 (3.07593e-09% change) linmin: converged after 2 iterations. iteration 89: trace = 2.150313166476429 (1.87564e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.15031316645396 (1.0449e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166443228 (4.99104e-10% change) linmin: converged after 6 iterations. iteration 92: trace = 2.150313166437209 (2.79901e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 2.150313166432872 (2.0169e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166430776 (9.74995e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 8.545615064955346 (191.103% change) linmin: converged after 8 iterations. iteration 2: trace = 3.261177021002489 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.735430573230346 (17.5348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.599623175194042 (5.09114% change) linmin: converged after 6 iterations. iteration 5: trace = 2.527777768746663 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.486971986915944 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814644289866 (0.732773% change) linmin: converged after 5 iterations. iteration 8: trace = 2.458530008775574 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010604897636 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.446951935982947 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000264868221 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801958887805 (0.0900244% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651917262315 (0.0471285% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794386057058 (0.0351559% change) linmin: converged after 5 iterations. iteration 15: trace = 2.43802281526741 (0.0316424% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314214189137 (0.0290688% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427434798389 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606064887636 (0.0337177% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080522321182 (0.0215798% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730903995121 (0.0143586% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515489424045 (0.00884796% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390156492517 (0.0051483% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289942129963 (0.0041167% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215166718979 (0.0030718% change) linmin: converged after 4 iterations. iteration 25: trace = 2.43415114846057 (0.00262997% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099388359106 (0.00212644% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069520682713 (0.00122706% change) linmin: converged after 6 iterations. iteration 28: trace = 2.434051894177385 (0.00072416% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040920659748 (0.000450834% change) linmin: converged after 6 iterations. iteration 30: trace = 2.434034872115986 (0.000248498% change) linmin: converged after 5 iterations. iteration 31: trace = 2.434031134496804 (0.000153557% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967612147 (8.90246e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725302595 (5.10392e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 2.434026886520718 (3.44607e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.43402613865067 (3.07256e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.4340254509205 (2.82548e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951043304 (2.05371e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674066363 (1.13794e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 2.434024546234761 (5.25186e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 2.434024472707927 (3.02079e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 2.434024422642368 (2.0569e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 2.434024388298618 (1.41099e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 2.434024363245329 (1.02929e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345052931 (7.47421e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 2.434024334362956 (4.39189e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 2.434024326948149 (3.04632e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899215 (2.48516e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216479 (1.51302e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315166997 (8.42014e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314138602 (4.22508e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313589948 (2.2541e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313234822 (1.45901e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312971753 (1.0808e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312719689 (1.03559e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 2.434024312512236 (8.52303e-09% change) linmin: converged after 4 iterations. iteration 56: trace = 2.434024312381283 (5.38009e-09% change) linmin: converged after 3 iterations. iteration 57: trace = 2.434024312305164 (3.12729e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 2.434024312262389 (1.7574e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 2.434024312237017 (1.0424e-09% change) linmin: converged after 5 iterations. iteration 60: trace = 2.434024312222584 (5.92946e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214287 (3.40891e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.434024312207971 (2.59463e-10% change) linmin: converged after 6 iterations. iteration 63: trace = 2.434024312203509 (1.83326e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200225 (1.34922e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312197838 (9.80672e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 377.16282320022583 total elapsed time for run: 377.3686375617981 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 Outputting fields to /tmp/meepYM7cP9/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0489046573638916 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198292 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754299 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590694 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847563 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520909 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264975 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784779 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707618 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439325 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745165 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818413 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718788796592 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914168 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955676 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005612641 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658384017742 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149532 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804523 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395883227713 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421152 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689295624 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347444902 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000442607425356213 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143807 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435499626 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514571 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730010333 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609671831 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218934 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968159 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739935 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218232346 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738886 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.000419643806578354 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287615 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846838694 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346542 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485233506 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863518 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000416895351652614 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875391 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361826709 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668428 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673653842 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166503 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756055 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877637 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.00041473941894106 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.000414598893949622 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926535 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417982 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703229 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873108 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297597 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.000414127940130185 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175342 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730488 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139382 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493707971 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762924 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001971 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451098017 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276518 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135331 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555861704 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371920818 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532763 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982404 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611409 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957864 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555436 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430069 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.000413929021229246 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458814 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164055 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420506 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461562 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 8.268392324447632 total elapsed time for run: 8.317556858062744 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.024448156356811523 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198292 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754299 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590694 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847563 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520909 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264975 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784779 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707618 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439325 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745165 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818413 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718788796592 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914168 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955676 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005612641 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658384017742 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149532 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804523 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395883227713 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421152 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689295624 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347444902 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000442607425356213 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143807 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435499626 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514571 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730010333 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609671831 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218934 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968159 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739935 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218232346 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738886 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.000419643806578354 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287615 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846838694 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346542 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485233506 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863518 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000416895351652614 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875391 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361826709 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668428 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673653842 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166503 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756055 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877637 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.00041473941894106 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.000414598893949622 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926535 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417982 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703229 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873108 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297597 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.000414127940130185 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175342 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730488 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139382 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493707971 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762924 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001971 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451098017 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276518 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135331 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555861704 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371920818 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532763 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982404 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611409 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957864 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555436 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430069 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.000413929021229246 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458814 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164055 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420506 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461562 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 4.700574159622192 total elapsed time for run: 4.725223779678345 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.047678232192993164 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.0132524793511198 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0130986458522337 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769834863 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084975079 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01048323620427258 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.0102424409902169 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181311703 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250368119 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950457948647 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259877944545 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457250036 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656497442 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390759872 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189640433 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928752244 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120393703 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386184279 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985830843 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255178259254 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864075008 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463099257 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666980901 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414011269 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458877895238 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846779652 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766091017 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.0055155938555738 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369324857 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746813334 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747026946 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249525102 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268194269 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235690561 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278624719 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935392051 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815743333 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311781543 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878599148 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839140814 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172401122 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230763979 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631580035 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509322144 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759081667 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770868018 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282992321 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192139758 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141846617 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305231855 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782118358 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930963744 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163560864 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800609 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304593916 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076669668 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750484081 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791960272 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.00332883211888491 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826950451 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405489377 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088477782 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.003163328889122289 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524609273 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020039705 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288078289 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611726987 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980376817 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.00304485318345138 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00304064555406241 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913821156 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667379479 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581972786 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966708699 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927255687 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245945158 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00265471166395599 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953155029615 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905893 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908528192 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.00260285295116619 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623663725 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326043291 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650579867 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307084016676 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518380171 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691425381 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579229 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250769216 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.00251296899881016 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603723 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225728507 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010873554 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897776792 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003718072 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872151304 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456929799 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465741872 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438862831 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946618368 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091239039 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845140008857 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132729022 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759987037 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103136433 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.00208978615307305 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927081060265 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299239504 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753069079603 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461273639 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622915411303 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314458371 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692270596 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220944052 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715856173 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654854694 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076237050774 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712281078687 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375464254878 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295879501 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912417611 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779680649 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562248807 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449980023 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137955979 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212232295983 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093844371 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.00186792318825518 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513872030575 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211892145 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854629947 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517242709 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026902180305 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623959848 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.00183376147018975 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786144484 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047423666 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235935099906 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787630365 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978815236 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066200929 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503995081 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519153915 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963162303 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0018025281290564 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730660552 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790925785 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061939286 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044738919 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0017965541244585 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681916063 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193852691 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.0017955379464277 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519503 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452727127 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864493 (0.000750034% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735659 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873286 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886529 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309854317 (0.000465478% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965312974 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401347 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761273383 (8.66303e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816996 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150943 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519493 (5.71725e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380443 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608933502 (7.55074e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836154 (1.84151e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637419 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633504466 (1.92262e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048418 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024777415 (9.51625e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859962 (1.73203e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576212 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189145246 (1.59562e-05% change) large trace change predicted (4.80672e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617458 (4.80735e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167914 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257128391 (2.45331e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147805 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910977 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.0017951037535781 (8.54173e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903727 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259897 (2.87693e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068009 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523468026 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 7.826050519943237 total elapsed time for run: 7.873985528945923 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03512978553771973 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114184657882724 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937402 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01023471071196789 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075714865 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094119836 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877247287 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.00866446695717939 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378830409 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00740758423591588 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721433702 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156717638 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995878973 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684017634 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447179532 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896288347 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160559399 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706280261 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734002537 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104531706 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513799384 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950173305 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941072207 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782538215 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.00316719165356456 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773809876 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198364384 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00257888861094957 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356288463 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133013872 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966297052935 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00230952225688578 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017512322 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304810562 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001869572230018964 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068869821 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323899581 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179786818 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763097633 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377056206 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965221875 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215156962916 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776484534 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335513 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473435619 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093908501 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973057045 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326814554 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853670223 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593560836 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360760188 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293563167 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054991738 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863390343 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870888203 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860413082 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208781389 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235985355 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359723673 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487716534 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286258534 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688690072 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.00113098511869201 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418166274 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081984796 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130405109 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902352011 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00109985764296582 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579151795 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041036904 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944153 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706009769 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061312677 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488237998 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724638215 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831575824 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532943453 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941722735 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482021609 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956332927 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472237663 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028338295 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945944 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568588497 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029376 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446434241 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877263584 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600265862 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096659732 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662723504 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342183289 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219091711 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448650391 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000976685423184101 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907699708 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.0009747603385530539 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131746295 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646618353 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0009739030579464571 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114917995 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111499278 (0.00192062% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097387 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524759811823 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974930681 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422981667072 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0009727738508667301 (0.00703605% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318780947 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085115 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.000972652788100856 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459000982743 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782570221 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550669275 (0.00043421% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456031 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477185902434 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835521 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398552108 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314135625 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987532097 (0.000651181% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150284 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886734 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760901 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967827628 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731552 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173627 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963283687 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982548 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290424 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832429 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010355564 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807183 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509303127 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443926 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331301186 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776645 (6.86045e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291662 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040578 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322678876 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561631 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352126 (3.41618e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585543 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.000972459650211416 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 5.67038369178772 total elapsed time for run: 5.7056756019592285 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03768110275268555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514242 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238878 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570304361 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105661862593834 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352517646 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432414314828 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.00879644737201061 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573892327015 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863765741978 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104853007302 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675903006996 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650750336 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944302004 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126336618 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286438158 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.0044105513144986 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910858601568 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603984099812 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288349742 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182308876 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500307204 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336283155909 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002642331733349835 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567560927 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478245051361 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035451331 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953371402 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188527097 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133760926 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116213239 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949242743 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252227819 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418488265 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430266622 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026458912932 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562342795258 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477072608 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00105918224033337 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837678476393 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629207720003 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267883513073 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211031386557 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593030195791 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826142257 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255294427 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945361737 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125162184888 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945356581758 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000680892618314573 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687554085 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936085674 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656202478612 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544060703 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561453801 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158296615 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554438713578 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991897674963 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384420439861 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312084113 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000562775909447368 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357744973057 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218645897253 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954582029 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140522867 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034220926464 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688305628 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127259536 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680176623 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907289642 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368328733 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162739982 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955543454 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830382443 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305139867 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630933708 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004610867968600356 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611141185 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.000455517535446558 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054348013 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246026654 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945079216 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789161126 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710489421 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327809164 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239679656 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000446982566757198 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248476459 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551904783 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.000445653874635074 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171310337 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589946991 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856051591 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260541854 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673626513 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986459031 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806050875 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888302759 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905870567 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500739 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983485 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655403 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975635375 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000443596595424942 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010888418 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.000443526612158538 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515584871 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.00044347610051672 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0004434714731017632 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151230384 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055768146 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132168 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924359412 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981872004 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803082016 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054641 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779338 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834479 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989794154 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004433937107530648 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247438 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077825 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351568387 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465965 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293187 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000443388031228047 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268651143 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725925 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573263 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476704 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 4.214576005935669 total elapsed time for run: 4.252428293228149 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.024069786071777344 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313921802708362 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553351 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607493297 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101589837044347 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309329864 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00892797107728269 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280223476 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313485243 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329325394 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189471032 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947715286 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163368856 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769357523 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245526819 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611883179 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994044926179 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898350181182 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634698927 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708241069 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469699929 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00333818592248314 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886137003 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177935729 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324696153 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221220175 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107325872 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00216893450910269 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398946851 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936078479 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147038835 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683027584 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993304216 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904242518234 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641478992 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358322988 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863302722 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515969067 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606815046 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867277146 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836851446 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302635903 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275692942 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727044202 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001122170058270399 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699023488 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.00106990137210023 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259077012 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911279671 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932451830235 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.000974719876304833 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290181694 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068768610649 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620733688387 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277447124 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740520546793 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234215649 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000871693071461078 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145254756 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710079949929 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.00084222830201513 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553877375 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094743229 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513410663 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661512261 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891759209 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029139933 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591545313 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000798267427250896 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909653984683 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265270598 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069316093 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868597712 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743128429 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045879829 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899938505 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023556302 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406325023 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875012872 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846878525 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296069531 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404420501 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071705165 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769586315 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716353512 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832188135 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.0007107523356494787 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747959787 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344343416 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515770342 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024920111 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993791572 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428434 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075475011 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437308895 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274571758 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363022213 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184934812 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996107473 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330952891 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630703 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.000705791958119235 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514746187 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475522983 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369617469 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182104608 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329035967619 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515591708 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000705450274352933 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128093 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644720394 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849954 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0007054065895967991 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.000705402295244772 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001434934 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220416 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353968566 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385811 (9.17886e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369959 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000705374208098857 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075307 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136454 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218499 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919396272 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997163 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494894 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367643 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526031884 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624995 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763969 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694905 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030214 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.000705363876868119 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077374 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806043 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731598 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760407 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879911 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.000705363036599132 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314592 (5.34147e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 3.410320520401001 total elapsed time for run: 3.4345881938934326 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.021042585372924805 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598253 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126112 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159363475 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476712294 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006992648 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507187892 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869822923064 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987200545 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008325902737333319 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435670628136 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983820928351 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104078183 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910627932 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827323177 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859046534 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561182125 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633267909758 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501598838224 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260303643653 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354827932 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00321729191426386 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841901015 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790121337 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276137733 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018410782 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819800866 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117893882 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575540724 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121682367 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521748458 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002757739 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013277153 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416332617 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837304743273 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181622065788 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950375255 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631463513 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578571564 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224187569 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930559026527 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334854979 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277628762 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987163372203733 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846542396 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628691179 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949987563 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888830445566 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178080335557 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713781021 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000791617209769586 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.000782647637445911 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319941925 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462511633 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081910645 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000734989723014633 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308981069 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183843871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685871166295 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613303769 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006737065008076734 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597907065947 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089490059122 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390092811 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061345836 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173909334 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036627953 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591604881 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581683197 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571732045051 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007070495 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141759784033 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678304225 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759415962494 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970640165 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308316242 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027648138 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909256537 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005569012686996278 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479597191 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937986331 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577228758 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675307357 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805369761 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043197841 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586088394 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267321679 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775082813 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641757 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842767918 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535778842 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402125965552 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841269865 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909077288 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918826236 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720807123 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144210216 (0.098228% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851013754 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922384293 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368084018 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.000543631878746202 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544387058 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543516378075383 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183287109 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567638206 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274727657 (0.000723036% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543357583724769 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425934892 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431473641 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366341 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426682869 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739402 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543221116361951 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704915 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353813971 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747397 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785116193 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005431979264061372 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976704792 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551275 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971834095 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783227 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000543184531099469 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961891 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431795216100968 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543178894063383 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330419 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791114 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353971021 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155096 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489135 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266818 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613696 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343467 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.000543176350304105 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775087 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149597989 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117660975 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614572 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 5.13008451461792 total elapsed time for run: 5.151307106018066 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.055750131607055664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459341 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226446 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081094 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141021 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209518385 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416138045 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401256 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844177109 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845434898 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00693988627934725 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864517417 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791940736 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295087075 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249108462 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950887633 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263088865 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626864724 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661175374 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003401441414578578 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500872484 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866357022 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419542651 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702054997 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508303086 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055497138 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058558601 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440850979 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958922958 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503165571 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549763089 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473831708 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338393 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627722456 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.00144111480988039 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783732292 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415230376 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134873691 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642653946 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.00118596176471649 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105174837 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562989905 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671151787 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521881662 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035009094 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468266591 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009665939687762763 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303390839 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733028341 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000886884006971483 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495150331 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129429354 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700080418 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326932137 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473217279 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921408485 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485054786 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750146602 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683056963 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901897708 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368886401 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201150611 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458133985373 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000735191859972615 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013482175 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691339608 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608884197 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000710117334112892 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384190247 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335778135 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284973863 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738627 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879505159 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973040529 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496940278 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000645382570827874 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424067101 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415614986 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138954315 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858427185 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779096562 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957316 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595368616 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416290364 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513807639 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0006288999747736609 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921466 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000628161281270317 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027432523 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995451312 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.000626398031200671 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788694769 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450012 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225758918 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954458861 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073484139 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880426135 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144896 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433558 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429852499 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170755967 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387222155 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226032 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340019662 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011373 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679888384 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541247 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.000623746886985712 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266613875 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971031 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688577 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706505 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607950098 (0.000791061% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742964966 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784986264 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075211971 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364818 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339136 (6.47291e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031526859 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099675 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.000623671971520872 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000623671928777806 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673972 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373892 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128331 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243756 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521714 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016156 (3.63182e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293207 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828836 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503597 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852685 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513038 (2.58695e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0006236680212656702 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098786 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588559 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374844 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 5.373315334320068 total elapsed time for run: 5.429279088973999 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.04656219482421875 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714665 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137829 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767425 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114310737506249 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175360215 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401418842 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337045219 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068470463845 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042058719481 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268486439636 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915031937615 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447359053197 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462501839149 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450963307 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963925043872 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692920852 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060778521356 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220512570115 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098355360906 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995507452 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517110205123 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486287238 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917318553374 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865140863 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905416928298 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00267421825470026 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970621319509 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418944010795 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181200037266 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595895339 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621447166 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099988268 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904567996 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158599355 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365710188078 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514930319 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.0012556059370911 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429554499 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348343456 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00111623508604669 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601416226 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102323885 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228335185 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876537371946072 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331997483407 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902455256912 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432717368889 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702053511236 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905685662359 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007599205427 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806225007862 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799742166 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281851118769 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606118040261 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151306663 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922588109 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.000721826536302999 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561882555626 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156206211374 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084080539918 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129753939 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999290976045 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270981244 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806263591 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458213069393 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507865772 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481801294535 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894910059 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645473944 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697264652 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209966898 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342490959136 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651693376 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484401947215 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758180866 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612735800872 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099694987 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156809985814 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269179165 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400616087157 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191087428 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941088286 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430655318 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322695059 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491229925 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627374394 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547972498211812 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292061455 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724161047 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511647959 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420903345 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204693934086 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963198951 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958192028 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826597424 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594185627 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038603798 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809478326 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544170867685768 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011641659 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807565414 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863450129 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184851628 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728337337 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475057928 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330668095 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437526970877011 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115470904 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688328493036 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146804 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.00054363130372977 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436282233598913 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343019083 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184242 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893744547 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667062 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.000543594933324994 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529551 (0.000349263% change) large trace change predicted (0.000866591%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240475034 (0.000866591% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213428 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266276365 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347921 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733245793 (0.000227807% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970969 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134200393 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292077 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678652137 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624793 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178691449 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625699 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520626 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059902 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106299 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094334 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337781 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024276 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516353 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298028 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 4.916609287261963 total elapsed time for run: 4.96333122253418 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.05732321739196777 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191972 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820582 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921867 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114284820601211 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057459146038172 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920006 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715103948 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559988101 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779771 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806993695 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.00712405694737991 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051136173 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647897047 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498651875 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701241404 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740656219 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.0046237269309487 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645940373 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849637454 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.00378907733911895 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666280661 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987446412594 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606566866 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886508 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695460308 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993166782 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.002495418664506267 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746202956 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888821057 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598315264 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636072926 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206433316 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511977219 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569900026 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.00158038181903199 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759958251 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106703421751 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074223725 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812802907718 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511293832 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462043659 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570880647 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563315935 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673681686 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.000984287094551253 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947534663 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000954616043814449 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664848677 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672006787 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364075107 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919889473 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200206901 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557798996 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670272648 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773187763 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256371879 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831481996 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853656353 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497581579 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507324377 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122354838 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977504645 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006952825340002982 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539879241 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462254813 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673857626 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099784166 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107596064 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441649182 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388288 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964764045 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374268467 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470279967 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969047001 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970247754 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312603996 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006040729522161915 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759967994 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756216459 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236439 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237795748 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070021892 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005919600556577167 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700540513 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208378 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666234435 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655951 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.000587569365086292 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005875433052722463 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.000586677312479834 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877365 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425554373 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195298 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594189 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774052 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651494939 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223471 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976180495 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166808024 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671582482 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220045 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407572 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464793 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.000583726932305375 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225389 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732215 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833710618 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284342 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557194 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011508 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973631 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719849 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550789713 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777847 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858172 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081694 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088519 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000583441446165329 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433656973 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958088951 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253411 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.000583430230064665 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109291 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106187 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465319 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666888 (4.87432e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834235029711146 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229492303538 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077964 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.00058342276849174 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355878 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461926 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223624832906 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.000583422346445021 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629322 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221953899253 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 9.258405447006226 total elapsed time for run: 9.315921306610107 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.05364346504211426 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988518 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801615 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373108108 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177208894 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408591372 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404015133 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607896451 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221037384 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739036802 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.00707491536331146 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679345932 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857291975 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909859432 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406135154 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257815 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209853334 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918100116 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767370809 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430871452 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527282185 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899178432 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728431033 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266631641 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815890919 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652981606 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014462638 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826864542 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583146438 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976159604 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993063269 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476510432 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286560637 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538393179 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074325336 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.00133171788420354 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316228162 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805823635 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709386529 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433399129 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949647599 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450371559 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573711885 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752187157 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329191517 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772535928 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032386659 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371639546 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944991696 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810829556 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420285585 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983349729 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021586937 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270992502 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295006832 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060474361 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493318061 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989097587 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288520401 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151919372 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190451401 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940020362 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268160724 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794276031 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201572879 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505362096 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776349438 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834575379 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576020632 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627049681 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863133713059 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730560348 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543703536 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798126799 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998596931895 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393384122 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884742088 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234211975 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060419916 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786441685 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946543162 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163979377 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191542267 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985936896 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231178065 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139690023 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715169625 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960250568 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468642252 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290374552 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158373021 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310099491 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569790862 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750599606 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561277402 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125004581 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.000544635377254499 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544131938 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389165505 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712526624 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539108269 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592215187 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490776917 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442093183 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691981 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058018202 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585424 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838183545 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018597631 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056603425 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575192658 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862889 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070743091 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036327 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612565019 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288805 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063255064 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971904 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596021889 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000543587425668311 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997823042 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891893 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453871397 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457415 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863204967 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742829779346 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401791636 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115377 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903467334 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078836 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946919 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524396 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635353 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546864 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753489 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196483994 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019987 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753419 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921653785 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 5.774415493011475 total elapsed time for run: 5.828240394592285 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.056845903396606445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196031 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526952 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270512 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142972906089904 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687932 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562604 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00988189470015354 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207293008 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897112091316 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547064824 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571348929 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373916016 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006670707163359137 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156603844815 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822090341 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041198144 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089426319 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132510518065 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00439844123983224 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063057178 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00330704962497418 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195365587 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808145288 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765282546 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464262866 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636492719 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283343 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933119868 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580392719 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449801616 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146339076 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455463286 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855835646 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402957579 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947556 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736245246 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375593248 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889740991772 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516413135 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086005 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320236318 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612114239 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085113472459 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074462 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.000959684382235147 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000943354237015166 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235595421 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348162437 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786248237 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528832003 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389685196 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029084615 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.000784679285628749 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497659083 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245081469 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713872566 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847867087 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148131018 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391318638 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193829798 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867013873 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000682131063403791 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000673227250291219 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275826058 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000668766495541807 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625713897 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523630681 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716356827301 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580197538 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358044016 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.000640525077187094 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459371877 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055692 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712666321 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.000599853047422651 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776721892269 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887256307 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145365822 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988161396 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833033399 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811560183 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656890279 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811385896 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367348973 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378014 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086948509 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706818471 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625847519 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685824 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107265056 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341356239 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341644 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203232565 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724862558 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748471 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630764961 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322593 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579165657 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419382308 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955171002747 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948146 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885827305 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376717 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005637413480909509 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879312 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173329 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139017894 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014342314 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828341 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609862 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764395068 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202358 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607326908 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843487 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823217 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070847 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717781715 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005634592314072815 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824729545 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225861 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495415996299 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648234 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229277085 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502043 (0.000447706% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083359 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723466 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976099442 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699671 (5.20444e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418467569304 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849211 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711369 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236819 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414230192412 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412673104865 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039256 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410680651487 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410555334601 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435853 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.000563441003217511 (1.19375e-06% change) large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683253 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746167 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634409086817542 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215101 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977981 (4.83407e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 6.034660816192627 total elapsed time for run: 6.091681718826294 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.053855180740356445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801896 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087056 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716917720197 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595862 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404167896 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608249009 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221226631 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739399675 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363949338 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679850567 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857852558 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909947778 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406063527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169335739 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210191721 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918551189 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767771778 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430793943 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527378307 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899324664 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728461154 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266770034 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00271090581614276 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653196001 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014238784 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826722568 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583173824 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976199941 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993046496 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476539198 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286639807 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538454886 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.0015273660742384 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884091911 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316197076 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805843 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709356282 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433397763 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949683927 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450411151 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573729051 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752039222 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329453021 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772947226 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032717036 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371620204 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945098342 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811138573 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420618214 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983610429 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021806699 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271391329 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295468081 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060916182 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493620257 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989355831 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288848806 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152252336 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000674150719073446 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940308902 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268552154 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794697233 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201987571 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505726042 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776710645 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834987559 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576440872 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627468336 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134131451 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731421098 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211147 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801856599 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597530178 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393937976 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885222335 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234887405 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060985239 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786990929 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947014258 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445164 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192019065 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986459375 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231660303 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397362772 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715647271 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960766316 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117029 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290826607 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158843215 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310638469 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698378529 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751033381 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175002 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125592623 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773013098 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544599609 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389643854 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713011943 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539577455 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592686041 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908242292 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442571621 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202163108 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058488941 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752969605734 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838656576 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019064124 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075105 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752403894 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334678 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071213004 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508085 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613040285 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760772 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063723431 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072443747 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960693559 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257155064 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998290416 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454345423 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929133 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863673889 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574283025115 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402264217 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587195 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903938972 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418716 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996194 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107097 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018648 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225318 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955803 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491758 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225187 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125636 (7.00911e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 4.3236963748931885 total elapsed time for run: 4.377725601196289 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0212709903717041 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396274532346681 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732442 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101133 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892843357 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111590396 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134392836 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781382317 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061110265412 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952954569507 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408563637261 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003149811437 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146056769756 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474929944862 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151458949 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413869126732 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409038072 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121725483166 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061817300529 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166020863904 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625962468 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464672096 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003232963613330976 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650860507 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002803732823570167 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002725499795014969 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002688778927662695 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217044062932 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239458495249 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666345405 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262743795 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637753061 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804402407 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701795978 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00163601239841142 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388946792 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179667105351 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001269484311269727 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740368374 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877461275777 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041444548 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827422327 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132202665 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001063426119037512 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651606262207 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780948363509 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209754286 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318604942043 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680624236033 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748496241889 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098650128671 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000803727907667054 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097633189683 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802283003459 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125824832 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868695347 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959671537 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.00073323829387571 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847744003555 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006974601200729702 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125256631087 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107694293103 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414600158428 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864719859 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.000659709824279411 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892949849 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725874763 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000642388961685999 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354566554 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372973155 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383712605 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502404347 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950784855538 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767925286 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000609435291222769 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510813689335 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000573895998218523 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191076151 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368909269688 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400195972 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462050233 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215195455 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587803822 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927467394 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500580899 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022629768 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875551931 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550874225 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311120414 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114442508 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005572367121219963 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121706465 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.000556015545082571 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414858337 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092447472 (0.0264207% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305168484 (0.0768872% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391504256 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625785963 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258696537 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.00055411846426551 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416458937 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645882885 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641368791 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429308002455 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510818653 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493456982 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264203815 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826951027 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000553669971418078 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005536095419715826 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766916744 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304989175 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119166871 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214596 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237610948 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764986 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804489 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301455126 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078263 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249695093 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111632 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059522839 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997656965 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002893 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850606 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171050815 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831557 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247533 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000553493132170315 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579039 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820729 (7.85482e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600058 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138478 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565487 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682659 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005534918356550618 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761885 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995888 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358841 (8.96798e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 8.136969327926636 total elapsed time for run: 8.162670373916626 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.04707980155944824 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114310737308695 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201646 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595845 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404164151 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242092 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221224369 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873939284 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363951925 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679848838 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857865458 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909926261 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406031785 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169313643 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210186273 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918553953 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767771484 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430766089 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527371248 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899321256 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991772844423 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266756519 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816141527 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653192085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014189333 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826698968 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583176571 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00190799897620217 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993028385 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347652804 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286642192 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538455565 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074215025 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884077404 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316203367 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805812728 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709351213 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433389698 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949684311 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412578 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725574 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751933365 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329439094 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772966321 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032717826 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371545801 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945060646 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081114812 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420631715 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983602546 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021775451 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271389511 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295476514 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060917822 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493590878 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989339716 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288864979 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152271418 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000674150719073478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999594029403 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268553819 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794704081 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201992004 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505717652 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776703385 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834994107 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000623706357644955 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627476594 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134140179 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731425919 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544212199 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801851204 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597526523 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393937226 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885226015 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234891336 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060984972 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786979551 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947018674 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164449861 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022787 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448244 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663844 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397361475 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651105 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960760042 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120577 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290825545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847318 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310630182 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838275 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751032034 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753553 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125577784 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016382 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624754460285 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544171138964733 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014224 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580667 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689511 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908245811 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574365 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166483 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492213 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752969606081 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659896 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066989 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078555 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406818 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338378 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216281 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511556 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613043309 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764261 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726551 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447255 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696665 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158562 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293409 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367159 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348627 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932716 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677042 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254604 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590648 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755412 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 12.35654616355896 total elapsed time for run: 12.40384578704834 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.040979862213134766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114310737308695 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201646 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595845 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404164151 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608242092 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221224369 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873939284 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363951925 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679848838 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857865458 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909926261 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406031785 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169313643 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210186273 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918553953 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767771484 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430766089 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527371248 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899321256 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991772844423 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266756519 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816141527 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653192085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014189333 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826698968 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583176571 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00190799897620217 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993028385 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347652804 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286642192 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538455565 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074215025 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884077404 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316203367 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805812728 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709351213 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433389698 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949684311 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412578 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573725574 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751933365 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329439094 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772966321 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032717826 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371545801 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945060646 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081114812 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420631715 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983602546 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021775451 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271389511 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295476514 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060917822 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493590878 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989339716 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288864979 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152271418 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000674150719073478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999594029403 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268553819 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794704081 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201992004 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505717652 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776703385 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834994107 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000623706357644955 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627476594 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134140179 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731425919 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544212199 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801851204 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597526523 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393937226 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885226015 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234891336 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060984972 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786979551 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947018674 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164449861 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022787 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986448244 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663844 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397361475 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651105 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960760042 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120577 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290825545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847318 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310630182 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569838275 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751032034 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753553 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125577784 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016382 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624754460285 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544171138964733 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713014224 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580667 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689511 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908245811 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574365 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166483 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492213 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752969606081 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838659896 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066989 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078555 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406818 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338378 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216281 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511556 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613043309 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764261 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726551 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447255 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696665 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158562 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293409 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367159 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348627 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932716 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677042 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254604 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590648 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755412 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 5.337587356567383 total elapsed time for run: 5.378769874572754 done /tmp/meepYM7cP9/test_point_defect_state-0: 479.02s /tmp/meepYM7cP9/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004141092300415039 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8708109855651855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 4.322702169418335 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 1.304142713546753 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.9741556644439697 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 1.4503202438354492 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.282712936401367 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.5684585571289062 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.764970064163208 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3530867099761963 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.3619384765625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) elapsed time for k point: 0.2839531898498535 Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.7048332691192627 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3157997131347656 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6080055236816406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 2.4486563205718994 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 4.135464668273926 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 22.787677764892578 done /tmp/meepYM7cP9/test_poynting-0: 22.83s /tmp/meepYM7cP9/test_resolution-0 ======================== /tmp/meepYM7cP9/test_resolution-0: 0.00s /tmp/meepYM7cP9/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.011660337448120117 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7134585380554199 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.5522956848144531 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.3961925506591797 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 1.0704340934753418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 2.020490884780884 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 2.638373374938965 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.8975870609283447 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 1.891589879989624 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 1.6911756992340088 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.9320335388183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.5824191570281982 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.22542715072631836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.26151585578918457 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6155827045440674 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7446508407592773 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 1.379645586013794 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 18.62740135192871 done /tmp/meepYM7cP9/test_run_te-0: 18.63s /tmp/meepYM7cP9/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0025014877319335938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787519 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652676 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.0000012998729 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.05795407295227051 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.13264679908752441 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.04042673110961914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.03104233741760254 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.037187814712524414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.03550529479980469 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707306 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.053284645080566406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995197106 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.5334832668304443 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182261743 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149831233 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121560705 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.7201429283311 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849368 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415468 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.39955568313598633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.05608868598937988 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.05600595474243164 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896792296 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779076751 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660546839 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541192927 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421005224 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529299973778 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178088465 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.0452905533899 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931714884 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807205499 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681799998 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555487364 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428256385 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300095649 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528170993553 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528040938279 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909917806 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777919899 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644932098 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527510941722 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527375935867 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239901385 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102824892 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964692765 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825491118 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685205817 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543822464 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401326389 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.0452625770265 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526112936021 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967010993 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819911753 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671622196 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522125898 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371406129 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219445831 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066227611 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.0452491173374 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524755946137 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598846375 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440415653 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280634799 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119484263 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523956944066 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523792993891 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627612987 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460780173 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292473847 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.0452312267196 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951352007 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778491029 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604065592 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428051769 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250425144 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071160789 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890233255 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707616558 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523284169 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337208992 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149363372 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959719053 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768247186 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520574918305 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379702311 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182568464 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983485366 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782420939 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579342418 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374216338 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566223641 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022959879 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326728942 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412891847 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366815351 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704638 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343343 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 2.0380706787109375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.044234275817871094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.0573420524597168 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.05309486389160156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.03611302375793457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901187 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010296 at Vector3<0.0, 0.0, 0.0> to 1.581138830084637 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 3.6759824752807617 done /tmp/meepYM7cP9/test_run_te_no_geometry-0: 3.68s /tmp/meepYM7cP9/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.013953924179077148 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807219 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479104 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715982 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546983 (10.5903% change) linmin: converged after 7 iterations. iteration 5: trace = 10.73396991772579 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619623333 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976064852251 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990942053468 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260229500352 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373992737995 (3.34467% change) linmin: converged after 9 iterations. iteration 11: trace = 8.106938037463252 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014338689118 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044025288115 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221801916152 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401183182603 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380388730299 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279634982483 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129536000221192 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299384768596 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880917273189 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009129702122 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249899502796 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639031239558 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094425064427 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.961290671290445 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090597273195 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594436143475 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427077724179 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335631485183 (0.0589768% change) linmin: converged after 3 iterations. iteration 30: trace = 6.931440745256259 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493559852733 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575580355971 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.92195609265993 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902276354948 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942477778 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294697111187 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713264987 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952566331 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971371119 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744471127827 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.91409594331793 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656441302 (0.00850888% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239353786 (0.00634166% change) linmin: converged after 5 iterations. iteration 44: trace = 6.912734881148703 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643163091 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917482922 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830685809 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698772161 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335357746 (0.00661773% change) linmin: converged after 3 iterations. iteration 50: trace = 6.910392908075353 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294350785 (0.00728804% change) linmin: converged after 7 iterations. iteration 52: trace = 6.909402304212081 (0.00704798% change) linmin: converged after 6 iterations. iteration 53: trace = 6.908895116624727 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.90819191278331 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883123861 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217483654 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772690385 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583539254 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626572432 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191893147 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.89919066188786 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.897351295010338 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666671 (0.0286374% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251486704 (0.0215255% change) linmin: converged after 6 iterations. iteration 65: trace = 6.892335264246674 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058237673 (0.0229877% change) linmin: converged after 5 iterations. iteration 67: trace = 6.889435731225642 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124774062351 (0.0190303% change) linmin: converged after 6 iterations. iteration 69: trace = 6.886910011604837 (0.0176372% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233800281 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388966271 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095114696525 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.87994659843678 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316462705576 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537082326417 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914174675023 (0.00905623% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949956274 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996383308235 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000382662 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381697677 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208231382 (0.0165597% change) linmin: converged after 8 iterations. iteration 82: trace = 6.870977203084404 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687860115962 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477621416901 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565171623574 (0.0132874% change) linmin: converged after 4 iterations. iteration 86: trace = 6.865179370193868 (0.0201839% change) linmin: converged after 7 iterations. iteration 87: trace = 6.862623640204431 (0.0372344% change) linmin: converged after 5 iterations. iteration 88: trace = 6.861124924851314 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.860204110400439 (0.0134217% change) linmin: converged after 4 iterations. iteration 90: trace = 6.85899593823528 (0.0176129% change) linmin: converged after 6 iterations. iteration 91: trace = 6.858118223272071 (0.0127974% change) linmin: converged after 5 iterations. iteration 92: trace = 6.857128033211874 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784894431 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889090109 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.85577583346009 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309319313 (0.00368345% change) linmin: converged after 6 iterations. iteration 97: trace = 6.855274952922894 (0.00362279% change) linmin: converged after 4 iterations. iteration 98: trace = 6.85516080596084 (0.00166511% change) linmin: converged after 5 iterations. iteration 99: trace = 6.855076132958161 (0.00123518% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019040844 (0.00179597% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094665997 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758810104011 (0.000864863% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951473719 (0.000581476% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880432596 (0.000511635% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854645200690635 (0.000564284% change) linmin: converged after 7 iterations. iteration 106: trace = 6.854612595121025 (0.000475672% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016593008 (0.000416925% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271381482 (0.000433947% change) linmin: converged after 4 iterations. iteration 109: trace = 6.854529731098175 (0.000358015% change) linmin: converged after 3 iterations. iteration 110: trace = 6.85451032617816 (0.000283097% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854489441006676 (0.000304693% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472900205786 (0.000241314% change) linmin: converged after 3 iterations. iteration 113: trace = 6.85445619599157 (0.000243698% change) linmin: converged after 3 iterations. iteration 114: trace = 6.854435502532668 (0.000301898% change) linmin: converged after 3 iterations. iteration 115: trace = 6.854411317543918 (0.000352838% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399036010832 (0.000179177% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110525098 (0.000115703% change) large trace change predicted (0.000265242%) linmin: converged after 5 iterations. iteration 118: trace = 6.854372905680224 (0.000265517% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854352891836047 (0.000291987% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355911622 (0.000136158% change) linmin: converged after 5 iterations. iteration 121: trace = 6.85433805076562 (8.0363e-05% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854333109670031 (7.20872e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854329720452945 (4.94464e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963823953 (4.02173e-05% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854323815981874 (4.59249e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854320653827818 (4.61337e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 6.854318503350898 (3.1374e-05% change) linmin: converged after 8 iterations. iteration 128: trace = 6.85431648174432 (2.94939e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496843916 (2.20781e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314300000098 (9.75209e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678998223 (9.06001e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854312884215395 (1.15954e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 6.854311865523803 (1.48621e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.854311298648694 (8.27034e-06% change) linmin: converged after 5 iterations. iteration 135: trace = 6.854310824373635 (6.91937e-06% change) linmin: converged after 8 iterations. iteration 136: trace = 6.854310167549999 (9.58264e-06% change) linmin: converged after 5 iterations. iteration 137: trace = 6.854309289983799 (1.28031e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657384959 (9.22921e-06% change) linmin: converged after 4 iterations. iteration 139: trace = 6.854307924095668 (1.06982e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.85430741795753 (7.38423e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969999267 (6.53543e-06% change) linmin: converged after 6 iterations. iteration 142: trace = 6.854306474746234 (7.22543e-06% change) linmin: converged after 4 iterations. iteration 143: trace = 6.854306058686805 (6.07004e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757018995 (4.40114e-06% change) linmin: converged after 6 iterations. iteration 145: trace = 6.854305444789216 (4.55524e-06% change) linmin: converged after 6 iterations. iteration 146: trace = 6.854304890348724 (8.08894e-06% change) linmin: converged after 5 iterations. iteration 147: trace = 6.854304491618008 (5.81723e-06% change) linmin: converged after 6 iterations. iteration 148: trace = 6.854304291611362 (2.91797e-06% change) linmin: converged after 7 iterations. iteration 149: trace = 6.85430406097317 (3.36487e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303701030546 (5.25134e-06% change) linmin: converged after 9 iterations. iteration 151: trace = 6.854303402250228 (4.35902e-06% change) linmin: converged after 4 iterations. iteration 152: trace = 6.854303138147559 (3.85309e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877354657 (3.80481e-06% change) linmin: converged after 8 iterations. iteration 154: trace = 6.854302639862343 (3.46486e-06% change) linmin: converged after 10 iterations. iteration 155: trace = 6.854302422638009 (3.16917e-06% change) linmin: converged after 5 iterations. iteration 156: trace = 6.85430226035828 (2.36756e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.85430202299859 (3.46293e-06% change) linmin: converged after 6 iterations. iteration 158: trace = 6.854301803084193 (3.20841e-06% change) linmin: converged after 21 iterations. iteration 159: trace = 6.854301557949087 (3.57637e-06% change) linmin: converged after 13 iterations. iteration 160: trace = 6.854301404120981 (2.24426e-06% change) linmin: converged after 6 iterations. iteration 161: trace = 6.854301308364163 (1.39703e-06% change) linmin: converged after 5 iterations. iteration 162: trace = 6.854301245803399 (9.12723e-07% change) linmin: converged after 6 iterations. iteration 163: trace = 6.854301157786383 (1.28411e-06% change) linmin: converged after 9 iterations. iteration 164: trace = 6.854301069008716 (1.29521e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009962249 (8.61451e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969712035 (5.87226e-07% change) linmin: converged after 10 iterations. iteration 167: trace = 6.854300948093899 (3.15395e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932079138 (2.33645e-07% change) linmin: converged after 8 iterations. iteration 169: trace = 6.854300911085044 (3.06291e-07% change) linmin: converged after 5 iterations. iteration 170: trace = 6.854300891898116 (2.79925e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881316067 (1.54386e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873074544 (1.20239e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 6.854300860998613 (1.7618e-07% change) linmin: converged after 9 iterations. iteration 174: trace = 6.854300852081605 (1.30094e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842756837 (1.36043e-07% change) linmin: converged after 4 iterations. iteration 176: trace = 6.854300830319976 (1.81446e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822658853 (1.11771e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817999977 (6.79701e-08% change) linmin: converged after 6 iterations. iteration 179: trace = 6.854300813566252 (6.46853e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808265787 (7.73305e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.85430080189012 (9.3017e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 6.854300795458916 (9.38273e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 6.854300791299546 (6.06826e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 6.854300788181162 (4.54953e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785346512 (4.13558e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781059477 (6.25452e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.85430077849625 (3.73959e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 6.854300777083773 (2.06072e-08% change) linmin: converged after 5 iterations. iteration 189: trace = 6.854300775839437 (1.81541e-08% change) linmin: converged after 4 iterations. iteration 190: trace = 6.854300774397618 (2.10352e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773195782 (1.7534e-08% change) linmin: converged after 10 iterations. iteration 192: trace = 6.854300772733366 (6.74637e-09% change) linmin: converged after 5 iterations. iteration 193: trace = 6.854300772377667 (5.18942e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771834831 (7.91964e-09% change) linmin: converged after 4 iterations. iteration 195: trace = 6.854300771439799 (5.76327e-09% change) linmin: converged after 8 iterations. iteration 196: trace = 6.854300771270411 (2.47127e-09% change) linmin: converged after 15 iterations. iteration 197: trace = 6.854300771195954 (1.08629e-09% change) linmin: converged after 5 iterations. iteration 198: trace = 6.85430077114026 (8.1253e-10% change) linmin: converged after 6 iterations. iteration 199: trace = 6.854300771070988 (1.01064e-09% change) linmin: converged after 6 iterations. iteration 200: trace = 6.854300771010828 (8.77695e-10% change) linmin: converged after 5 iterations. iteration 201: trace = 6.854300770988376 (3.27565e-10% change) linmin: converged after 3 iterations. iteration 202: trace = 6.85430077097574 (1.8434e-10% change) linmin: converged after 5 iterations. iteration 203: trace = 6.854300770964803 (1.59564e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 5.323273420333862 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537458770543 (11.2703% change) linmin: converged after 9 iterations. iteration 2: trace = 7.003247357231354 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 12 iterations. iteration 3: trace = 6.975139323720075 (0.402164% change) linmin: converged after 6 iterations. iteration 4: trace = 6.971270249796364 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746709176 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392871869965 (0.329376% change) linmin: converged after 7 iterations. iteration 7: trace = 6.931992241213145 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331502758634 (0.211718% change) linmin: converged after 5 iterations. iteration 9: trace = 6.902037334308378 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451972369 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872059050643 (0.0303758% change) large trace change predicted (0.158392%) linmin: converged after 16 iterations. iteration 12: trace = 6.888130422086455 (0.153627% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392672096422 (0.0397538% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023933438058 (0.0634695% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.851222975463971 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570430815456 (0.0387239% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532529449004 (0.029761% change) large trace change predicted (0.118503%) linmin: converged after 5 iterations. iteration 18: trace = 6.838958713011278 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261213899658 (0.0101994% change) large trace change predicted (0.0363605%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756717892115 (0.0366315% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373294781 (0.0615827% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144950362522 (0.00590547% change) large trace change predicted (0.0574304%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114320193621 (0.0590211% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314254045346 (0.0556769% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904148454289 (0.00601054% change) large trace change predicted (0.0472522%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507846213498 (0.0497903% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042496114999 (0.0214899% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386908592947 (0.00961594% change) large trace change predicted (0.0746118%) linmin: converged after 5 iterations. iteration 29: trace = 6.811801979469831 (0.0819554% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011809866311 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751566516852 (0.0185047% change) large trace change predicted (0.0614978%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453215230848 (0.0631405% change) linmin: converged after 3 iterations. iteration 33: trace = 6.805025641051587 (0.00628301% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.802964560161085 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346849465774 (0.0384864% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157588018116 (0.00278315% change) large trace change predicted (0.0152533%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129591064455 (0.0151184% change) linmin: converged after 3 iterations. iteration 38: trace = 6.797753748529395 (0.0202376% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626611652197 (0.0018703% change) large trace change predicted (0.00964375%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985848418216 (0.00942672% change) linmin: converged after 4 iterations. iteration 41: trace = 6.796346974237312 (0.00939982% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284306755298 (0.00092208% change) large trace change predicted (0.00629695%) linmin: converged after 4 iterations. iteration 43: trace = 6.795867526962835 (0.00613265% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406396346936 (0.00678569% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367588222659 (0.000571095% change) large trace change predicted (0.00284232%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177118671837 (0.00280297% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940917809682 (0.00347607% change) linmin: converged after 5 iterations. iteration 48: trace = 6.794907135235329 (0.000497174% change) large trace change predicted (0.00433788%) linmin: converged after 4 iterations. iteration 49: trace = 6.79461593008832 (0.00428573% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255732232035 (0.00530137% change) linmin: converged after 6 iterations. iteration 51: trace = 6.794217399161713 (0.0005642% change) large trace change predicted (0.00335304%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991211603265 (0.00332917% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728115043741 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694256794119 (0.000498376% change) large trace change predicted (0.00365895%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263012027 (0.00365042% change) linmin: converged after 4 iterations. iteration 56: trace = 6.79319685158562 (0.00367142% change) linmin: converged after 9 iterations. iteration 57: trace = 6.793167321985417 (0.000434695% change) large trace change predicted (0.00302389%) linmin: converged after 5 iterations. iteration 58: trace = 6.792962144869102 (0.00302039% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383436505 (0.00274937% change) linmin: converged after 4 iterations. iteration 60: trace = 6.792756986167655 (0.000270836% change) large trace change predicted (0.00165708%) linmin: converged after 5 iterations. iteration 61: trace = 6.792644652658681 (0.00165374% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550296052503 (0.00138911% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537663864187 (0.000185971% change) large trace change predicted (0.00160148%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429265012766 (0.00159586% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340576376375 (0.00130571% change) linmin: converged after 16 iterations. iteration 66: trace = 6.792331550527897 (0.000132883% change) large trace change predicted (0.000841255%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274568698177 (0.000838918% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438769073 (0.000546651% change) linmin: converged after 11 iterations. iteration 69: trace = 6.792232609045143 (7.11065e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228297098191 (6.34835e-05% change) large trace change predicted (0.00110164%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153696178212 (0.00109833% change) linmin: converged after 12 iterations. iteration 72: trace = 6.792149583711656 (6.05473e-05% change) large trace change predicted (0.000708861%) linmin: converged after 5 iterations. iteration 73: trace = 6.792101528889144 (0.000707508% change) linmin: converged after 5 iterations. iteration 74: trace = 6.792099860165784 (2.45686e-05% change) large trace change predicted (0.000619125%) linmin: converged after 4 iterations. iteration 75: trace = 6.792057870211257 (0.000618219% change) linmin: converged after 27 iterations. iteration 76: trace = 6.792056167172855 (2.5074e-05% change) large trace change predicted (0.000403867%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028720633257 (0.000404098% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026996687894 (2.53819e-05% change) large trace change predicted (0.000260596%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009276372577 (0.000260899% change) linmin: converged after 4 iterations. iteration 80: trace = 6.792008452394795 (1.21316e-05% change) large trace change predicted (0.000159639%) linmin: converged after 3 iterations. iteration 81: trace = 6.79199759856979 (0.000159803% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904837159 (1.0214e-05% change) large trace change predicted (8.62686e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991042742044 (8.63089e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706015693 (4.9577e-06% change) large trace change predicted (6.51946e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.79198627771271 (6.51989e-05% change) linmin: converged after 4 iterations. iteration 86: trace = 6.791986002491485 (4.05215e-06% change) large trace change predicted (5.28282e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982413729166 (5.28382e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.791981792179875 (9.15122e-06% change) large trace change predicted (5.89448e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977793987513 (5.88664e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 6.791976820418645 (1.43341e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 6.791975633273901 (1.74786e-05% change) linmin: converged after 10 iterations. iteration 92: trace = 6.791973900510644 (2.55119e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 6.79197342735875 (6.96634e-06% change) large trace change predicted (1.82842e-05%) linmin: converged after 3 iterations. iteration 94: trace = 6.79197218562005 (1.82824e-05% change) linmin: converged after 7 iterations. iteration 95: trace = 6.791971554510297 (9.292e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 6.791970944564885 (8.98039e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.79197020424627 (1.08999e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818866197 (5.67405e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.791969226500072 (8.72157e-06% change) linmin: converged after 12 iterations. iteration 100: trace = 6.79196870849545 (7.62672e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 6.791968633626281 (1.10232e-06% change) large trace change predicted (5.10903e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968286614616 (5.10915e-06% change) linmin: converged after 7 iterations. iteration 103: trace = 6.791968271359229 (2.24609e-07% change) large trace change predicted (2.51701e-06%) linmin: converged after 4 iterations. iteration 104: trace = 6.791968100409844 (2.51693e-06% change) linmin: converged after 4 iterations. iteration 105: trace = 6.791968092597848 (1.15018e-07% change) large trace change predicted (2.05412e-06%) linmin: converged after 2 iterations. iteration 106: trace = 6.791967953083027 (2.05411e-06% change) linmin: converged after 7 iterations. iteration 107: trace = 6.791967948031305 (7.43779e-08% change) large trace change predicted (1.46229e-06%) linmin: converged after 7 iterations. iteration 108: trace = 6.791967848710163 (1.46233e-06% change) linmin: converged after 13 iterations. iteration 109: trace = 6.791967845213797 (5.1478e-08% change) large trace change predicted (1.32193e-06%) linmin: converged after 5 iterations. iteration 110: trace = 6.791967755430326 (1.32191e-06% change) linmin: converged after 6 iterations. iteration 111: trace = 6.791967750703794 (6.959e-08% change) large trace change predicted (1.19531e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967669514257 (1.19538e-06% change) linmin: converged after 9 iterations. iteration 113: trace = 6.791967666687638 (4.16171e-08% change) large trace change predicted (7.69574e-07%) linmin: converged after 4 iterations. iteration 114: trace = 6.791967614419717 (7.69555e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.791967611014348 (5.01382e-08% change) large trace change predicted (3.20606e-07%) linmin: converged after 25 iterations. iteration 116: trace = 6.791967589238912 (3.20606e-07% change) linmin: converged after 9 iterations. iteration 117: trace = 6.791967586997452 (3.30016e-08% change) large trace change predicted (2.80841e-07%) linmin: converged after 2 iterations. iteration 118: trace = 6.791967567922804 (2.80841e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206625 (8.62276e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 6.791967551088215 (1.61633e-07% change) linmin: converged after 4 iterations. iteration 121: trace = 6.791967543190053 (1.16287e-07% change) linmin: converged after 17 iterations. iteration 122: trace = 6.791967536851629 (9.33224e-08% change) linmin: converged after 21 iterations. iteration 123: trace = 6.791967524533746 (1.8136e-07% change) linmin: converged after 9 iterations. iteration 124: trace = 6.791967521931811 (3.8309e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.791967517045971 (7.19356e-08% change) linmin: converged after 11 iterations. iteration 126: trace = 6.79196751659859 (6.58691e-09% change) large trace change predicted (5.53959e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.791967512836083 (5.53964e-08% change) linmin: converged after 21 iterations. iteration 128: trace = 6.791967512490546 (5.08743e-09% change) large trace change predicted (3.88715e-08%) linmin: converged after 19 iterations. iteration 129: trace = 6.791967509850352 (3.88723e-08% change) linmin: converged after 4 iterations. iteration 130: trace = 6.791967509709573 (2.07273e-09% change) large trace change predicted (5.20863e-08%) linmin: converged after 20 iterations. iteration 131: trace = 6.791967506171849 (5.20869e-08% change) linmin: converged after 20 iterations. iteration 132: trace = 6.79196750602184 (2.20862e-09% change) large trace change predicted (5.55664e-08%) linmin: converged after 10 iterations. iteration 133: trace = 6.791967502247739 (5.55671e-08% change) linmin: converged after 16 iterations. iteration 134: trace = 6.791967502136398 (1.63931e-09% change) large trace change predicted (2.59003e-08%) linmin: converged after 4 iterations. iteration 135: trace = 6.791967500377262 (2.59002e-08% change) linmin: converged after 30 iterations. iteration 136: trace = 6.791967500303233 (1.08995e-09% change) large trace change predicted (1.49122e-08%) linmin: converged after 2 iterations. iteration 137: trace = 6.791967499290397 (1.49123e-08% change) linmin: converged after 4 iterations. iteration 138: trace = 6.791967499234445 (8.23805e-10% change) large trace change predicted (1.08059e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498500507 (1.0806e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.791967498334164 (2.44912e-09% change) linmin: converged after 30 iterations. iteration 141: trace = 6.791967498254754 (1.16918e-09% change) large trace change predicted (3.81809e-09%) linmin: converged after 9 iterations. iteration 142: trace = 6.79196749799543 (3.81809e-09% change) linmin: converged after 23 iterations. iteration 143: trace = 6.79196749794482 (7.45148e-10% change) large trace change predicted (4.68143e-09%) linmin: converged after 4 iterations. iteration 144: trace = 6.791967497626859 (4.68142e-09% change) linmin: converged after 17 iterations. iteration 145: trace = 6.791967497596886 (4.41306e-10% change) large trace change predicted (6.65759e-09%) linmin: converged after 4 iterations. iteration 146: trace = 6.791967497144714 (6.65745e-09% change) linmin: converged after 15 iterations. iteration 147: trace = 6.791967497128221 (2.42838e-10% change) large trace change predicted (4.64755e-09%) linmin: converged after 13 iterations. iteration 148: trace = 6.791967496812549 (4.64772e-09% change) linmin: converged after 22 iterations. iteration 149: trace = 6.791967496783056 (4.34231e-10% change) large trace change predicted (1.8846e-09%) linmin: converged after 3 iterations. iteration 150: trace = 6.791967496655055 (1.88459e-09% change) linmin: converged after 5 iterations. iteration 151: trace = 6.791967496643834 (1.65213e-10% change) large trace change predicted (1.76711e-09%) linmin: converged after 20 iterations. iteration 152: trace = 6.791967496523808 (1.76717e-09% change) linmin: converged after 6 iterations. iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 6.958764553070068 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233662613292 (0.0293394% change) large trace change predicted (0.119593%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228730676621 (0.11815% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767888516656562 (0.0493417% change) linmin: converged after 4 iterations. iteration 4: trace = 6.766771631127858 (0.0165041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765535637176449 (0.0182673% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292073661334 (0.00360013% change) large trace change predicted (0.0160506%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215417296434 (0.0159157% change) linmin: converged after 4 iterations. iteration 8: trace = 6.764074531351157 (0.00208283% change) large trace change predicted (0.00881703%) linmin: converged after 4 iterations. iteration 9: trace = 6.76347833436666 (0.00881456% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763113180777198 (0.00539905% change) linmin: converged after 4 iterations. iteration 11: trace = 6.762840562813345 (0.00403103% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762590213357559 (0.00370191% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500265914912 (0.00133008% change) large trace change predicted (0.00531666%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138865384413 (0.00534433% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074386137362 (0.000953538% change) large trace change predicted (0.00413297%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792967852388 (0.0041618% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761638007231685 (0.00229174% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443532342174 (0.00287619% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761354010678641 (0.00132401% change) linmin: converged after 4 iterations. iteration 20: trace = 6.76131176236402 (0.000624852% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229213826009 (0.0012209% change) linmin: converged after 4 iterations. iteration 22: trace = 6.761215114069401 (0.000208539% change) large trace change predicted (0.00158179%) linmin: converged after 3 iterations. iteration 23: trace = 6.761108202603172 (0.00158126% change) linmin: converged after 6 iterations. iteration 24: trace = 6.761091262548052 (0.000250552% change) large trace change predicted (0.00137182%) linmin: converged after 3 iterations. iteration 25: trace = 6.760998500904947 (0.001372% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760977540918202 (0.000310014% change) linmin: converged after 3 iterations. iteration 27: trace = 6.760936818602294 (0.000602316% change) linmin: converged after 3 iterations. iteration 28: trace = 6.760921245870161 (0.000230334% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910140766615 (0.000164254% change) linmin: converged after 4 iterations. iteration 30: trace = 6.760890267409732 (0.000293945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887279606997 (4.41925e-05% change) large trace change predicted (0.000191503%) linmin: converged after 4 iterations. iteration 32: trace = 6.76087432380865 (0.000191629% change) linmin: converged after 5 iterations. iteration 33: trace = 6.760866479924875 (0.000116019% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856609052698 (0.000146% change) linmin: converged after 4 iterations. iteration 35: trace = 6.760848850846902 (0.000114752% change) linmin: converged after 4 iterations. iteration 36: trace = 6.760841846916914 (0.000103595% change) linmin: converged after 5 iterations. iteration 37: trace = 6.760835956037811 (8.71324e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832922137637 (4.48746e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829248087384 (5.43432e-05% change) linmin: converged after 7 iterations. iteration 40: trace = 6.760828391113448 (1.26756e-05% change) large trace change predicted (5.84605e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.760824439385647 (5.84504e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.760823785391183 (9.6733e-06% change) large trace change predicted (5.63834e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760819975198059 (5.6357e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760819020343801 (1.41234e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.760817398079341 (2.39951e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.760816323511408 (1.58941e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.760816115112642 (3.08245e-06% change) large trace change predicted (1.47954e-05%) linmin: converged after 5 iterations. iteration 48: trace = 6.76081511475625 (1.47964e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.760815018399315 (1.42523e-06% change) large trace change predicted (1.20633e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814202728658 (1.20647e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814120506232 (1.21616e-06% change) large trace change predicted (7.45288e-06%) linmin: converged after 3 iterations. iteration 52: trace = 6.760813616582729 (7.45359e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.760813488287585 (1.89763e-06% change) large trace change predicted (5.56532e-06%) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112035367 (5.56519e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 6.760812918398767 (2.8641e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805893701 (1.66408e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.760812646718302 (2.35438e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 6.760812619024847 (4.09617e-07% change) large trace change predicted (1.70591e-06%) linmin: converged after 3 iterations. iteration 59: trace = 6.760812503693161 (1.70588e-06% change) linmin: converged after 14 iterations. iteration 60: trace = 6.760812471727117 (4.72814e-07% change) large trace change predicted (1.43361e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.76081237480401 (1.4336e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.760812349747429 (3.70615e-07% change) linmin: converged after 17 iterations. iteration 63: trace = 6.760812314229788 (5.25346e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812295449118 (2.77787e-07% change) linmin: converged after 20 iterations. iteration 65: trace = 6.760812271116999 (3.59899e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.76081224084399 (4.47772e-07% change) linmin: converged after 16 iterations. iteration 67: trace = 6.760812234776371 (8.97469e-08% change) large trace change predicted (3.74055e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812209486301 (3.74069e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 6.760812207260066 (3.29285e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.760812205380207 (2.78052e-08% change) large trace change predicted (1.24909e-07%) linmin: converged after 4 iterations. iteration 71: trace = 6.760812196935282 (1.2491e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812194740354 (3.24654e-08% change) large trace change predicted (8.68792e-08%) linmin: converged after 13 iterations. iteration 73: trace = 6.760812188866579 (8.68797e-08% change) linmin: converged after 3 iterations. iteration 74: trace = 6.760812184724538 (6.12654e-08% change) linmin: converged after 22 iterations. iteration 75: trace = 6.760812181341919 (5.00327e-08% change) linmin: converged after 19 iterations. iteration 76: trace = 6.760812177223904 (6.09101e-08% change) linmin: converged after 17 iterations. iteration 77: trace = 6.760812174274005 (4.36323e-08% change) large trace change predicted (1.00514e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.760812167478436 (1.00514e-07% change) linmin: converged after 19 iterations. iteration 79: trace = 6.760812165891807 (2.3468e-08% change) large trace change predicted (8.21563e-08%) linmin: converged after 26 iterations. iteration 80: trace = 6.760812160337361 (8.21565e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.76081215907644 (1.86504e-08% change) large trace change predicted (6.15184e-08%) linmin: converged after 7 iterations. iteration 82: trace = 6.760812154917349 (6.15176e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151232336 (5.45055e-08% change) linmin: converged after 17 iterations. iteration 84: trace = 6.760812150102741 (1.6708e-08% change) linmin: converged after 7 iterations. iteration 85: trace = 6.760812149057777 (1.54562e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.760812148328064 (1.07933e-08% change) linmin: converged after 8 iterations. iteration 87: trace = 6.760812147806423 (7.71566e-09% change) linmin: converged after 5 iterations. iteration 88: trace = 6.760812146972909 (1.23286e-08% change) linmin: converged after 18 iterations. iteration 89: trace = 6.760812146792507 (2.66835e-09% change) large trace change predicted (1.05487e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146079321 (1.05488e-08% change) linmin: converged after 4 iterations. iteration 91: trace = 6.76081214588122 (2.93012e-09% change) large trace change predicted (9.16672e-09%) linmin: converged after 4 iterations. iteration 92: trace = 6.760812145261479 (9.16667e-09% change) linmin: converged after 6 iterations. iteration 93: trace = 6.760812144890995 (5.47988e-09% change) linmin: converged after 18 iterations. iteration 94: trace = 6.760812144766787 (1.83718e-09% change) large trace change predicted (3.94247e-09%) linmin: converged after 10 iterations. iteration 95: trace = 6.760812144500255 (3.9423e-09% change) linmin: converged after 21 iterations. iteration 96: trace = 6.760812144457378 (6.34196e-10% change) large trace change predicted (2.12111e-09%) linmin: converged after 8 iterations. iteration 97: trace = 6.76081214431397 (2.12116e-09% change) linmin: converged after 5 iterations. iteration 98: trace = 6.760812144230774 (1.23056e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 6.76081214416757 (9.34866e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.760812144072368 (1.40815e-09% change) linmin: converged after 15 iterations. iteration 101: trace = 6.760812144043551 (4.26235e-10% change) large trace change predicted (1.03597e-09%) linmin: converged after 4 iterations. iteration 102: trace = 6.760812143973515 (1.0359e-09% change) linmin: converged after 6 iterations. iteration 103: trace = 6.760812143964135 (1.38742e-10% change) large trace change predicted (5.84988e-10%) linmin: converged after 2 iterations. iteration 104: trace = 6.760812143924595 (5.84853e-10% change) linmin: converged after 6 iterations. iteration 105: trace = 6.760812143886893 (5.57646e-10% change) linmin: converged after 22 iterations. iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 3.893739938735962 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819508219988 (0.0683417% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521845247693 (0.0484155% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878728174198 (0.0388226% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531546238578 (0.00510059% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812313465 (0.00988414% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278629640603 (0.00852512% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018729206464 (0.00381917% change) large trace change predicted (0.00764415%) linmin: converged after 4 iterations. iteration 8: trace = 6.80449975807835 (0.00762659% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166040104378 (0.00490449% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208365732 (0.00539143% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143705532 (0.00424867% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404286916172 (0.00155593% change) large trace change predicted (0.00417119%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569359131 (0.00418502% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867686857146 (0.00370252% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805672849434 (0.00091159% change) large trace change predicted (0.0037265%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551008999021 (0.00374358% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508927733024 (0.000618612% change) large trace change predicted (0.00153195%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404655808074 (0.00153286% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520587534 (0.00186899% change) linmin: converged after 4 iterations. iteration 20: trace = 6.802247414972667 (0.000442582% change) large trace change predicted (0.00128702%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763826145 (0.00128857% change) linmin: converged after 3 iterations. iteration 22: trace = 6.802097108498234 (0.000921114% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077230209528 (0.000292238% change) large trace change predicted (0.00072329%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028030225554 (0.000723311% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006232245031 (0.000320463% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991480857499 (0.000216868% change) linmin: converged after 13 iterations. iteration 27: trace = 6.801969336139529 (0.000325563% change) linmin: converged after 5 iterations. iteration 28: trace = 6.801957256082648 (0.000177597% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951800071285 (8.02124e-05% change) large trace change predicted (0.00022194%) linmin: converged after 4 iterations. iteration 30: trace = 6.801936705854001 (0.00022191% change) linmin: converged after 3 iterations. iteration 31: trace = 6.801934035172881 (3.92635e-05% change) large trace change predicted (0.000217614%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919236975676 (0.000217559% change) linmin: converged after 3 iterations. iteration 33: trace = 6.80191452512863 (6.92723e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.801907420469828 (0.000104451% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902690706328 (6.95359e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.801901466978578 (1.7991e-05% change) large trace change predicted (5.37537e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.801897810855744 (5.37515e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895847802752 (2.88604e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985013194 (2.73863e-05% change) linmin: converged after 19 iterations. iteration 40: trace = 6.801891470055961 (3.69744e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 6.80189069006492 (1.14673e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235253484 (2.13883e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888192197239 (1.53348e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.801887967651422 (3.30123e-06% change) large trace change predicted (7.31743e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887469940185 (7.31725e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.801886974159298 (7.28887e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.801886743571457 (3.39006e-06% change) large trace change predicted (1.27356e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.801885877252749 (1.27364e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885687267485 (2.79313e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 6.801885358673595 (4.83092e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885210568678 (2.17741e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 6.801885140350342 (1.03234e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 6.801885017801631 (1.80169e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 6.801884971862796 (6.75384e-07% change) large trace change predicted (1.65889e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884859025914 (1.65891e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.801884765491366 (1.37513e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.801884741932468 (3.46358e-07% change) large trace change predicted (7.34039e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692003786 (7.34042e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 6.80188466050531 (4.63085e-07% change) linmin: converged after 21 iterations. iteration 60: trace = 6.801884645428476 (2.21657e-07% change) linmin: converged after 20 iterations. iteration 61: trace = 6.801884621153685 (3.56883e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 6.80188460993198 (1.64979e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 6.801884594016375 (2.33988e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.801884582177701 (1.7405e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.801884576433165 (8.44551e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.801884566571959 (1.44978e-07% change) linmin: converged after 25 iterations. iteration 67: trace = 6.801884562689891 (5.70734e-08% change) linmin: converged after 3 iterations. iteration 68: trace = 6.801884555497646 (1.05739e-07% change) linmin: converged after 10 iterations. iteration 69: trace = 6.801884548994815 (9.56034e-08% change) resetting CG direction... linmin: converged after 12 iterations. iteration 70: trace = 6.801884547515387 (2.17503e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.801884545360386 (3.16824e-08% change) linmin: converged after 5 iterations. iteration 72: trace = 6.801884544064887 (1.90462e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.801884543138418 (1.36208e-08% change) linmin: converged after 6 iterations. iteration 74: trace = 6.801884541735411 (2.06267e-08% change) linmin: converged after 18 iterations. iteration 75: trace = 6.801884541326608 (6.01014e-09% change) large trace change predicted (1.77761e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540117523 (1.77757e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.801884539500458 (9.07197e-09% change) linmin: converged after 6 iterations. iteration 78: trace = 6.80188453908594 (6.09417e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.801884538426486 (9.69516e-09% change) linmin: converged after 10 iterations. iteration 80: trace = 6.801884538218956 (3.05107e-09% change) large trace change predicted (9.80955e-09%) linmin: converged after 21 iterations. iteration 81: trace = 6.801884537551715 (9.80965e-09% change) linmin: converged after 6 iterations. iteration 82: trace = 6.801884537139951 (6.05366e-09% change) linmin: converged after 26 iterations. iteration 83: trace = 6.801884536942101 (2.90876e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 6.801884536586122 (5.23353e-09% change) linmin: converged after 20 iterations. iteration 85: trace = 6.801884536357644 (3.35905e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536233658 (1.82282e-09% change) linmin: converged after 26 iterations. iteration 87: trace = 6.801884536108722 (1.83678e-09% change) linmin: converged after 16 iterations. iteration 88: trace = 6.801884536055081 (7.88614e-10% change) large trace change predicted (1.79266e-09%) linmin: converged after 6 iterations. iteration 89: trace = 6.801884535933144 (1.7927e-09% change) linmin: converged after 24 iterations. iteration 90: trace = 6.801884535899444 (4.95453e-10% change) large trace change predicted (1.23487e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.801884535815449 (1.23488e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.801884535773334 (6.19163e-10% change) linmin: converged after 15 iterations. iteration 93: trace = 6.801884535753365 (2.93592e-10% change) linmin: converged after 9 iterations. iteration 94: trace = 6.801884535731968 (3.14563e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.801884535713657 (2.69213e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.801884535706489 (1.05377e-10% change) large trace change predicted (2.25567e-10%) linmin: converged after 4 iterations. iteration 97: trace = 6.801884535691138 (2.25692e-10% change) linmin: converged after 15 iterations. iteration 98: trace = 6.801884535674619 (2.42863e-10% change) linmin: converged after 2 iterations. iteration 99: trace = 6.801884535667632 (1.02713e-10% change) large trace change predicted (2.20302e-10%) linmin: converged after 8 iterations. iteration 100: trace = 6.801884535652651 (2.20246e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 8.923452377319336 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925881798292199 (0.0869816% change) linmin: converged after 3 iterations. iteration 2: trace = 6.9229225259514 (0.0427369% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648508630198 (0.032853% change) linmin: converged after 4 iterations. iteration 4: trace = 6.919688694130618 (0.0138698% change) linmin: converged after 4 iterations. iteration 5: trace = 6.9192786056375 (0.00592658% change) large trace change predicted (0.0145666%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274799994855 (0.0145084% change) linmin: converged after 4 iterations. iteration 7: trace = 6.91757301330911 (0.0101445% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717042170276 (0.00582001% change) linmin: converged after 3 iterations. iteration 9: trace = 6.916380858719524 (0.0114152% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938475163338 (0.00639638% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627887978417 (0.00449099% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595538192 (0.00824677% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570526779777 (0.00704384% change) linmin: converged after 3 iterations. iteration 14: trace = 6.91442336897636 (0.00212825% change) large trace change predicted (0.00433627%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122171751801 (0.00435617% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960746784396 (0.00233474% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682758315103 (0.00402076% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569624543927 (0.00163639% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334352257579 (0.00327046% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913263031312358 (0.0011643% change) linmin: converged after 15 iterations. iteration 21: trace = 6.913199861543292 (0.000913752% change) linmin: converged after 3 iterations. iteration 22: trace = 6.913142044518144 (0.000836331% change) linmin: converged after 6 iterations. iteration 23: trace = 6.913116163816769 (0.00037437% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090515482353 (0.00037101% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913046805634677 (0.000632279% change) linmin: converged after 3 iterations. iteration 26: trace = 6.913020774091535 (0.000376557% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001674697812 (0.000276282% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976749113279 (0.000360562% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912971244996962 (7.96201e-05% change) large trace change predicted (0.000181474%) linmin: converged after 3 iterations. iteration 30: trace = 6.912958702065374 (0.000181441% change) linmin: converged after 15 iterations. iteration 31: trace = 6.912946620631539 (0.000174765% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912941200300708 (7.84084e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933462689976 (0.000111929% change) linmin: converged after 12 iterations. iteration 34: trace = 6.912927788569319 (8.20798e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.912925543877318 (3.24709e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923366452396 (3.14979e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920253757397 (4.50272e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.91291918583872 (1.54482e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.91291752131117 (2.40785e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.91291631802408 (1.74064e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915796698972 (7.54132e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 6.912915208180214 (8.51332e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914546415715 (9.57287e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914250440259 (4.28149e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913754122829 (7.17957e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.912913166100848 (8.50614e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.912912879055559 (4.15231e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.912912672755615 (2.98427e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.91291252359359 (2.15773e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912437158742 (1.25034e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.912912301843973 (1.95742e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.912912141120616 (2.32497e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912094963387 (6.67696e-07% change) large trace change predicted (1.37508e-06%) linmin: converged after 4 iterations. iteration 54: trace = 6.912911999899769 (1.37516e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.912911938686116 (8.85497e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 6.912911893521379 (6.53339e-07% change) linmin: converged after 6 iterations. iteration 57: trace = 6.912911841729086 (7.49211e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 6.912911791218241 (7.30674e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.912911779594948 (1.68139e-07% change) large trace change predicted (3.68251e-07%) linmin: converged after 2 iterations. iteration 60: trace = 6.912911754138028 (3.68252e-07% change) linmin: converged after 16 iterations. iteration 61: trace = 6.91291173524443 (2.73309e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.912911721998706 (1.91608e-07% change) large trace change predicted (4.53468e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911690652783 (4.5344e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 6.912911672612801 (2.60961e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 6.912911664103595 (1.23092e-07% change) linmin: converged after 20 iterations. iteration 66: trace = 6.912911654714987 (1.35813e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.912911645869683 (1.27953e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.912911641485165 (6.34251e-08% change) large trace change predicted (1.86099e-07%) linmin: converged after 16 iterations. iteration 69: trace = 6.912911628620017 (1.86103e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.912911623609482 (7.24808e-08% change) linmin: converged after 16 iterations. iteration 71: trace = 6.912911619950242 (5.29334e-08% change) linmin: converged after 18 iterations. iteration 72: trace = 6.912911615014117 (7.14044e-08% change) linmin: converged after 3 iterations. iteration 73: trace = 6.912911609923537 (7.36387e-08% change) linmin: converged after 13 iterations. iteration 74: trace = 6.912911600448374 (1.37065e-07% change) large trace change predicted (7.005e-07%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911552014634 (7.00627e-07% change) large trace change predicted (3.26976e-06%) linmin: converged after 4 iterations. iteration 76: trace = 6.912911324882718 (3.28562e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 77: trace = 6.909407411940434 (0.0506994% change) linmin: converged after 14 iterations. iteration 78: trace = 6.909407303259766 (1.57294e-06% change) linmin: converged after 5 iterations. iteration 79: trace = 6.909407194879683 (1.56859e-06% change) linmin: converged after 6 iterations. iteration 80: trace = 6.909407086803446 (1.56419e-06% change) linmin: converged after 6 iterations. iteration 81: trace = 6.909406979027686 (1.55984e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.909406871560214 (1.55538e-06% change) linmin: converged after 6 iterations. iteration 83: trace = 6.909406764399476 (1.55094e-06% change) linmin: converged after 6 iterations. iteration 84: trace = 6.909406657546903 (1.54648e-06% change) linmin: converged after 6 iterations. iteration 85: trace = 6.909406551003777 (1.542e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.909406444771263 (1.53751e-06% change) linmin: converged after 6 iterations. iteration 87: trace = 6.909406338847629 (1.53304e-06% change) linmin: converged after 20 iterations. iteration 88: trace = 6.909406233236654 (1.52851e-06% change) linmin: converged after 14 iterations. iteration 89: trace = 6.909406127939251 (1.52397e-06% change) linmin: converged after 7 iterations. iteration 90: trace = 6.909406022958676 (1.51939e-06% change) linmin: converged after 15 iterations. iteration 91: trace = 6.909405918293174 (1.51483e-06% change) linmin: converged after 14 iterations. iteration 92: trace = 6.909405813941406 (1.51029e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909405709907355 (1.50569e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909405606189644 (1.50111e-06% change) linmin: converged after 19 iterations. iteration 95: trace = 6.909405502788598 (1.49653e-06% change) linmin: converged after 15 iterations. iteration 96: trace = 6.90940539970425 (1.49194e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.90940529693715 (1.48735e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 6.909405194487154 (1.48276e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 6.909405092353508 (1.47818e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.909404990537729 (1.47358e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 6.909404889038919 (1.46899e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.909404787856076 (1.46442e-06% change) linmin: converged after 11 iterations. iteration 103: trace = 6.909404686990555 (1.45983e-06% change) linmin: converged after 8 iterations. iteration 104: trace = 6.909404586441252 (1.45525e-06% change) linmin: converged after 8 iterations. iteration 105: trace = 6.909404486205638 (1.45071e-06% change) linmin: converged after 7 iterations. iteration 106: trace = 6.90940438628765 (1.44612e-06% change) linmin: converged after 8 iterations. iteration 107: trace = 6.909404286684655 (1.44156e-06% change) linmin: converged after 14 iterations. iteration 108: trace = 6.909404187394779 (1.43703e-06% change) linmin: converged after 8 iterations. iteration 109: trace = 6.909404088420219 (1.43246e-06% change) linmin: converged after 8 iterations. iteration 110: trace = 6.9094039897583 (1.42794e-06% change) linmin: converged after 8 iterations. iteration 111: trace = 6.909403891408473 (1.42342e-06% change) linmin: converged after 9 iterations. iteration 112: trace = 6.909403793371282 (1.4189e-06% change) linmin: converged after 7 iterations. iteration 113: trace = 6.909403695644156 (1.41441e-06% change) linmin: converged after 11 iterations. iteration 114: trace = 6.909403598229497 (1.40989e-06% change) linmin: converged after 15 iterations. iteration 115: trace = 6.909403501123285 (1.40542e-06% change) linmin: converged after 8 iterations. iteration 116: trace = 6.909403404325506 (1.40096e-06% change) linmin: converged after 6 iterations. iteration 117: trace = 6.909403307835841 (1.3965e-06% change) linmin: converged after 6 iterations. iteration 118: trace = 6.909403211655174 (1.39203e-06% change) linmin: converged after 5 iterations. iteration 119: trace = 6.909403115779074 (1.38762e-06% change) linmin: converged after 19 iterations. iteration 120: trace = 6.90940302021008 (1.38317e-06% change) linmin: converged after 15 iterations. iteration 121: trace = 6.909402924943801 (1.37879e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.90940282998096 (1.3744e-06% change) linmin: converged after 11 iterations. iteration 123: trace = 6.909402735322186 (1.37e-06% change) linmin: converged after 8 iterations. iteration 124: trace = 6.909402640963187 (1.36566e-06% change) linmin: converged after 19 iterations. iteration 125: trace = 6.909402546904536 (1.36131e-06% change) linmin: converged after 10 iterations. iteration 126: trace = 6.909402453145184 (1.35698e-06% change) linmin: converged after 7 iterations. iteration 127: trace = 6.909402359684876 (1.35265e-06% change) linmin: converged after 8 iterations. iteration 128: trace = 6.909402266520806 (1.34837e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.909402173653994 (1.34406e-06% change) linmin: converged after 15 iterations. iteration 130: trace = 6.909402081082199 (1.33979e-06% change) linmin: converged after 10 iterations. iteration 131: trace = 6.909401988802639 (1.33557e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.909401896816838 (1.33131e-06% change) linmin: converged after 10 iterations. iteration 133: trace = 6.909401805122543 (1.32709e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 6.909401713717047 (1.32291e-06% change) linmin: converged after 12 iterations. iteration 135: trace = 6.909401622601867 (1.31871e-06% change) linmin: converged after 7 iterations. iteration 136: trace = 6.909401531773128 (1.31457e-06% change) linmin: converged after 11 iterations. iteration 137: trace = 6.909401441232235 (1.3104e-06% change) linmin: converged after 18 iterations. iteration 138: trace = 6.909401350976032 (1.30628e-06% change) linmin: converged after 5 iterations. iteration 139: trace = 6.909401261003318 (1.30218e-06% change) resetting CG direction... large trace change predicted (0.111831%) linmin: converged after 4 iterations. iteration 140: trace = 6.901922701401765 (0.108296% change) linmin: converged after 4 iterations. iteration 141: trace = 6.889246761849792 (0.183827% change) linmin: converged after 4 iterations. iteration 142: trace = 6.879314220704985 (0.144279% change) linmin: converged after 4 iterations. iteration 143: trace = 6.871993578724105 (0.106472% change) linmin: converged after 4 iterations. iteration 144: trace = 6.85905677008803 (0.188431% change) linmin: converged after 4 iterations. iteration 145: trace = 6.846561881925398 (0.182332% change) linmin: converged after 4 iterations. iteration 146: trace = 6.837774882420545 (0.128424% change) large trace change predicted (0.261264%) linmin: converged after 5 iterations. iteration 147: trace = 6.82038659448041 (0.254621% change) linmin: converged after 4 iterations. iteration 148: trace = 6.811549309755332 (0.129656% change) linmin: converged after 4 iterations. iteration 149: trace = 6.803010641167304 (0.125434% change) linmin: converged after 3 iterations. iteration 150: trace = 6.795772549221677 (0.106452% change) linmin: converged after 4 iterations. iteration 151: trace = 6.786305906325278 (0.139399% change) linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. iteration 153: trace = 6.762501080820075 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. iteration 155: trace = 6.743925282478452 (0.136994% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736994478099864 (0.102824% change) linmin: converged after 4 iterations. iteration 157: trace = 6.732878238745272 (0.0611177% change) linmin: converged after 4 iterations. iteration 158: trace = 6.726657933453791 (0.0924297% change) linmin: converged after 4 iterations. iteration 159: trace = 6.721195120311202 (0.0812444% change) linmin: converged after 4 iterations. iteration 160: trace = 6.717648620160626 (0.0527798% change) linmin: converged after 4 iterations. iteration 161: trace = 6.713194200918324 (0.0663312% change) linmin: converged after 4 iterations. iteration 162: trace = 6.710505505507571 (0.0400589% change) linmin: converged after 3 iterations. iteration 163: trace = 6.706901370255015 (0.0537233% change) linmin: converged after 4 iterations. iteration 164: trace = 6.705010608124311 (0.0281953% change) linmin: converged after 3 iterations. iteration 165: trace = 6.701887653654738 (0.0465873% change) linmin: converged after 3 iterations. iteration 166: trace = 6.700031905240058 (0.0276938% change) linmin: converged after 3 iterations. iteration 167: trace = 6.697510883943405 (0.0376341% change) linmin: converged after 3 iterations. iteration 168: trace = 6.695584231985491 (0.0287708% change) linmin: converged after 3 iterations. iteration 169: trace = 6.693804050386154 (0.0265909% change) linmin: converged after 3 iterations. iteration 170: trace = 6.692039961790896 (0.0263575% change) linmin: converged after 4 iterations. iteration 171: trace = 6.690949984623433 (0.016289% change) linmin: converged after 3 iterations. iteration 172: trace = 6.68902122164707 (0.0288306% change) linmin: converged after 5 iterations. iteration 173: trace = 6.688226203086087 (0.0118861% change) linmin: converged after 3 iterations. iteration 174: trace = 6.687474377184295 (0.0112417% change) linmin: converged after 3 iterations. iteration 175: trace = 6.686715446510494 (0.0113492% change) linmin: converged after 3 iterations. iteration 176: trace = 6.68595815685937 (0.0113259% change) linmin: converged after 3 iterations. iteration 177: trace = 6.685279864678321 (0.0101455% change) linmin: converged after 3 iterations. iteration 178: trace = 6.68492616710768 (0.00529083% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. iteration 179: trace = 6.684160010954856 (0.0114616% change) linmin: converged after 3 iterations. iteration 180: trace = 6.683795301710827 (0.00545647% change) linmin: converged after 3 iterations. iteration 181: trace = 6.683426309249661 (0.00552085% change) linmin: converged after 3 iterations. iteration 182: trace = 6.683087980183506 (0.00506234% change) linmin: converged after 3 iterations. iteration 183: trace = 6.682763608494613 (0.00485374% change) linmin: converged after 3 iterations. iteration 184: trace = 6.68241451451494 (0.00522393% change) linmin: converged after 3 iterations. iteration 185: trace = 6.682218185893361 (0.00293803% change) linmin: converged after 3 iterations. iteration 186: trace = 6.681916579890395 (0.00451366% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681779640604578 (0.00204942% change) linmin: converged after 5 iterations. iteration 188: trace = 6.681606952405319 (0.0025845% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681488504299757 (0.00177276% change) linmin: converged after 3 iterations. iteration 190: trace = 6.681358270711396 (0.00194919% change) linmin: converged after 19 iterations. iteration 191: trace = 6.681230235127352 (0.00191633% change) linmin: converged after 5 iterations. iteration 192: trace = 6.681128825531117 (0.00151784% change) linmin: converged after 4 iterations. iteration 193: trace = 6.680953873403051 (0.00261864% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680873366488424 (0.00120503% change) linmin: converged after 8 iterations. iteration 195: trace = 6.680765389287529 (0.00161623% change) linmin: converged after 5 iterations. iteration 196: trace = 6.680693384687361 (0.0010778% change) linmin: converged after 8 iterations. iteration 197: trace = 6.680621052228344 (0.00108271% change) linmin: converged after 4 iterations. iteration 198: trace = 6.680572671609273 (0.000724196% change) linmin: converged after 5 iterations. iteration 199: trace = 6.680536488810626 (0.000541614% change) linmin: converged after 3 iterations. iteration 200: trace = 6.680481376118935 (0.000824977% change) linmin: converged after 5 iterations. iteration 201: trace = 6.680455499665584 (0.000387345% change) linmin: converged after 3 iterations. iteration 202: trace = 6.68041564127453 (0.000596644% change) linmin: converged after 3 iterations. iteration 203: trace = 6.680384072110439 (0.000472564% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680340622965251 (0.000650401% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680309706798488 (0.000462794% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680284458954871 (0.000377945% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680246429181477 (0.000569285% change) linmin: converged after 5 iterations. iteration 208: trace = 6.680230557518507 (0.000237591% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680212664956146 (0.000267844% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.680199266028111 (0.000200577% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680176330009624 (0.000343344% change) linmin: converged after 3 iterations. iteration 212: trace = 6.680157131936122 (0.000287389% change) linmin: converged after 4 iterations. iteration 213: trace = 6.680148385961573 (0.000130925% change) large trace change predicted (0.0002685%) linmin: converged after 3 iterations. iteration 214: trace = 6.680130453617168 (0.000268443% change) linmin: converged after 5 iterations. iteration 215: trace = 6.680117119527826 (0.000199608% change) linmin: converged after 4 iterations. iteration 216: trace = 6.68011165523421 (8.17994e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 6.680105070060253 (9.85788e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 6.680099229064786 (8.74387e-05% change) linmin: converged after 9 iterations. iteration 219: trace = 6.680096911225478 (3.46977e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680092842385695 (6.09099e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 6.680089179732932 (5.48294e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680087434299887 (2.61289e-05% change) large trace change predicted (5.58737e-05%) linmin: converged after 3 iterations. iteration 223: trace = 6.680083701498131 (5.58796e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680080072951409 (5.43189e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680078801599461 (1.9032e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680076350868536 (3.66872e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680074690080565 (2.48618e-05% change) linmin: converged after 9 iterations. iteration 228: trace = 6.680073351032185 (2.00454e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680072854503119 (7.43299e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 6.68007209099912 (1.14296e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 6.680071248553808 (1.26113e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 6.68007096020888 (4.31649e-06% change) large trace change predicted (1.18528e-05%) linmin: converged after 3 iterations. iteration 233: trace = 6.680070168333757 (1.18543e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 6.680069654245933 (7.69584e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 6.680069400467938 (3.79903e-06% change) linmin: converged after 3 iterations. iteration 236: trace = 6.680069104628129 (4.42869e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 6.680068901394954 (3.04238e-06% change) linmin: converged after 7 iterations. iteration 238: trace = 6.68006881640772 (1.27225e-06% change) linmin: converged after 4 iterations. iteration 239: trace = 6.680068659756556 (2.34505e-06% change) linmin: converged after 11 iterations. iteration 240: trace = 6.680068550664888 (1.63309e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 6.680068504921119 (6.8478e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.680068425445534 (1.18974e-06% change) linmin: converged after 5 iterations. iteration 243: trace = 6.680068372309567 (7.9544e-07% change) linmin: converged after 4 iterations. iteration 244: trace = 6.68006834950997 (3.41308e-07% change) linmin: converged after 3 iterations. iteration 245: trace = 6.680068316253641 (4.97844e-07% change) linmin: converged after 3 iterations. iteration 246: trace = 6.680068281843501 (5.15117e-07% change) linmin: converged after 8 iterations. iteration 247: trace = 6.680068263937255 (2.68055e-07% change) linmin: converged after 5 iterations. iteration 248: trace = 6.680068250330845 (2.03687e-07% change) linmin: converged after 5 iterations. iteration 249: trace = 6.680068235014073 (2.29291e-07% change) linmin: converged after 5 iterations. iteration 250: trace = 6.680068219577296 (2.31087e-07% change) linmin: converged after 5 iterations. iteration 251: trace = 6.680068209701298 (1.47843e-07% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068201057148 (1.29402e-07% change) linmin: converged after 4 iterations. iteration 253: trace = 6.680068196844695 (6.306e-08% change) linmin: converged after 6 iterations. iteration 254: trace = 6.680068194298988 (3.8109e-08% change) linmin: converged after 6 iterations. iteration 255: trace = 6.680068189734076 (6.83363e-08% change) linmin: converged after 4 iterations. iteration 256: trace = 6.680068185375805 (6.52429e-08% change) linmin: converged after 4 iterations. iteration 257: trace = 6.680068184273248 (1.65052e-08% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068182522309 (2.62114e-08% change) linmin: converged after 15 iterations. iteration 259: trace = 6.68006818105756 (2.19271e-08% change) linmin: converged after 4 iterations. iteration 260: trace = 6.680068180494168 (8.43394e-09% change) linmin: converged after 4 iterations. iteration 261: trace = 6.680068179768361 (1.08653e-08% change) linmin: converged after 4 iterations. iteration 262: trace = 6.680068179147947 (9.28753e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068178733466 (6.20475e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068178533025 (3.00058e-09% change) large trace change predicted (6.16407e-09%) linmin: converged after 4 iterations. iteration 265: trace = 6.680068178121238 (6.16441e-09% change) linmin: converged after 4 iterations. iteration 266: trace = 6.680068177961954 (2.38447e-09% change) linmin: converged after 4 iterations. iteration 267: trace = 6.680068177761544 (3.00012e-09% change) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177602848 (2.37565e-09% change) linmin: converged after 13 iterations. iteration 269: trace = 6.680068177506453 (1.44302e-09% change) linmin: converged after 3 iterations. iteration 270: trace = 6.680068177433323 (1.09476e-09% change) linmin: converged after 4 iterations. iteration 271: trace = 6.680068177338332 (1.422e-09% change) linmin: converged after 16 iterations. iteration 272: trace = 6.680068177279097 (8.86747e-10% change) linmin: converged after 3 iterations. iteration 273: trace = 6.680068177249511 (4.42888e-10% change) linmin: converged after 4 iterations. iteration 274: trace = 6.680068177203202 (6.93251e-10% change) linmin: converged after 15 iterations. iteration 275: trace = 6.680068177160675 (6.36623e-10% change) linmin: converged after 5 iterations. iteration 276: trace = 6.680068177145829 (2.22242e-10% change) linmin: converged after 6 iterations. iteration 277: trace = 6.680068177120615 (3.77445e-10% change) linmin: converged after 2 iterations. iteration 278: trace = 6.680068177111693 (1.33571e-10% change) linmin: converged after 13 iterations. iteration 279: trace = 6.680068177098545 (1.9682e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 6.680068177092141 (9.58638e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 9.004782915115356 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587473689109 (0.0686629% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159753500438 (0.0665585% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179168070059 (0.029787% change) linmin: converged after 4 iterations. iteration 4: trace = 6.647534184460929 (0.00970213% change) linmin: converged after 3 iterations. iteration 5: trace = 6.646966615404791 (0.0085384% change) linmin: converged after 4 iterations. iteration 6: trace = 6.645994017622721 (0.0146333% change) linmin: converged after 5 iterations. iteration 7: trace = 6.645304729701829 (0.010372% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933056210284 (0.00559318% change) linmin: converged after 3 iterations. iteration 9: trace = 6.644423335852698 (0.00767111% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201156406162 (0.0033439% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990279910868 (0.00317389% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843516962854 (0.00220898% change) linmin: converged after 5 iterations. iteration 13: trace = 6.64356475664805 (0.00419586% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279223213847 (0.00429799% change) linmin: converged after 3 iterations. iteration 15: trace = 6.64307162450148 (0.00312499% change) linmin: converged after 4 iterations. iteration 16: trace = 6.64297479951876 (0.00145754% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909148385201 (0.000988284% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890172549851 (0.000285656% change) linmin: converged after 3 iterations. iteration 19: trace = 6.642868866693247 (0.000320732% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841257630105 (0.00041562% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822878207463 (0.000276681% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805066181122 (0.00026814% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440748623 (0.000205116% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785630165085 (8.74721e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.642782971944859 (4.00167e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780010487694 (4.45816e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.642778215782385 (2.70174e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777033708898 (1.77949e-05% change) large trace change predicted (3.72446e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560627688 (3.72296e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773633112364 (1.39628e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772722801835 (1.37038e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.642771828223156 (1.34669e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.642770875717687 (1.4339e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.642770553609214 (4.84901e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.642770128424434 (6.40071e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.642769885743741 (3.65331e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 6.642769776756667 (1.64069e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.642769636192451 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952985813 (1.60075e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.64276948221908 (7.17156e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417339405 (9.76696e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.6427693807117 (5.51392e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.642769352213377 (4.29013e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 6.64276933500741 (2.59018e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308410065 (4.00395e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 6.64276929558259 (1.93104e-07% change) linmin: converged after 15 iterations. iteration 47: trace = 6.642769286017307 (1.43995e-07% change) linmin: converged after 3 iterations. iteration 48: trace = 6.642769278110246 (1.19033e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.642769268633557 (1.42662e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.642769264678993 (5.95319e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 6.642769258340143 (9.54248e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.642769254869387 (5.22486e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.642769253457879 (2.12488e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.642769251332982 (3.19881e-08% change) linmin: converged after 5 iterations. iteration 55: trace = 6.642769250070252 (1.90091e-08% change) linmin: converged after 4 iterations. iteration 56: trace = 6.642769249311944 (1.14155e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248104532 (1.81763e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 6.642769246932681 (1.7641e-08% change) linmin: converged after 24 iterations. iteration 59: trace = 6.642769246510039 (6.36244e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 6.642769246056337 (6.83e-09% change) linmin: converged after 8 iterations. iteration 61: trace = 6.642769245799185 (3.87116e-09% change) linmin: converged after 5 iterations. iteration 62: trace = 6.642769245599225 (3.01019e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.642769245362293 (3.56677e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245060769 (4.53912e-09% change) linmin: converged after 4 iterations. iteration 65: trace = 6.64276924497992 (1.2171e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 6.642769244865909 (1.71632e-09% change) linmin: converged after 3 iterations. iteration 67: trace = 6.642769244785438 (1.21142e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 6.642769244741226 (6.65562e-10% change) linmin: converged after 16 iterations. iteration 69: trace = 6.64276924469701 (6.65629e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.642769244673424 (3.55056e-10% change) linmin: converged after 16 iterations. iteration 71: trace = 6.642769244658249 (2.2845e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.642769244637283 (3.15613e-10% change) linmin: converged after 9 iterations. iteration 73: trace = 6.642769244619499 (2.6772e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 6.642769244609692 (1.47638e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598619 (1.66691e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 6.642769244581716 (2.54456e-10% change) linmin: converged after 17 iterations. iteration 77: trace = 6.642769244576439 (7.94481e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 3.8357510566711426 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429231640419 (0.117813% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682646867031265 (0.0715383% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627759806239 (0.0451885% change) linmin: converged after 5 iterations. iteration 4: trace = 6.674424626067543 (0.0779259% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593887939423 (0.0574108% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532519250804 (0.0159124% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698910283753 (0.0124995% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450154203845 (0.0187274% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854298069175 (0.00893719% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666561044023348 (0.00439878% change) large trace change predicted (0.0103227%) linmin: converged after 3 iterations. iteration 11: trace = 6.665873849220906 (0.0103086% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343892343184 (0.00795061% change) linmin: converged after 4 iterations. iteration 13: trace = 6.664960722616507 (0.00574885% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471827485924 (0.00733557% change) linmin: converged after 5 iterations. iteration 15: trace = 6.664343409130835 (0.00192693% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235402926991 (0.00162067% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099943254497 (0.00203266% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928209547941 (0.00257703% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861687818067 (0.000998241% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812771949349 (0.00073405% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735502864748 (0.00115954% change) linmin: converged after 5 iterations. iteration 22: trace = 6.66367466614615 (0.000912956% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634526974308 (0.00060236% change) linmin: converged after 7 iterations. iteration 24: trace = 6.663593038759096 (0.000622608% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573597875551 (0.000291748% change) linmin: converged after 5 iterations. iteration 26: trace = 6.663564028497367 (0.000143607% change) linmin: converged after 9 iterations. iteration 27: trace = 6.66354904793401 (0.000224813% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235825781 (8.72225e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.66353963112206 (5.40959e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663536020928598 (5.41783e-05% change) large trace change predicted (0.000126931%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527560499054 (0.000126966% change) linmin: converged after 4 iterations. iteration 32: trace = 6.663522796309925 (7.14965e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519837202252 (4.44076e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516772772216 (4.59882e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.663513850280391 (4.38581e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.663512817819473 (1.54942e-05% change) large trace change predicted (3.44727e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.66351052050736 (3.4476e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473943975 (1.57059e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.663509059441019 (6.22049e-06% change) large trace change predicted (1.53072e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508039374552 (1.53082e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.663507363208089 (1.01473e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506896333666 (7.00644e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558684439 (5.06714e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 6.663506414193118 (2.1684e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.663506331223576 (1.24513e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.663506214966994 (1.74468e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039883719 (2.62749e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.663505983850816 (8.40892e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.663505907541484 (1.14518e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.663505851042529 (8.47886e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805259885 (6.87065e-07% change) linmin: converged after 13 iterations. iteration 52: trace = 6.663505790502363 (2.21468e-07% change) linmin: converged after 25 iterations. iteration 53: trace = 6.663505766535184 (3.59678e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.663505741504925 (3.75632e-07% change) linmin: converged after 22 iterations. iteration 55: trace = 6.663505723706266 (2.67107e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.663505707385099 (2.44934e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697273749 (1.51742e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 6.663505694691338 (3.87545e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691929068 (4.14537e-08% change) linmin: converged after 7 iterations. iteration 60: trace = 6.663505688934807 (4.49352e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.663505686194938 (4.11175e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 6.663505684948923 (1.86991e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683328056 (2.43245e-08% change) linmin: converged after 13 iterations. iteration 64: trace = 6.663505682008949 (1.9796e-08% change) linmin: converged after 11 iterations. iteration 65: trace = 6.663505681304827 (1.05668e-08% change) linmin: converged after 6 iterations. iteration 66: trace = 6.663505680001291 (1.95623e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.663505679184945 (1.2251e-08% change) linmin: converged after 23 iterations. iteration 68: trace = 6.66350567874791 (6.55864e-09% change) linmin: converged after 7 iterations. iteration 69: trace = 6.663505678470032 (4.17015e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.663505678326204 (2.15844e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226792 (1.49189e-09% change) linmin: converged after 13 iterations. iteration 72: trace = 6.663505678093929 (1.99388e-09% change) linmin: converged after 5 iterations. iteration 73: trace = 6.663505677966341 (1.91474e-09% change) linmin: converged after 26 iterations. iteration 74: trace = 6.6635056779092 (8.57521e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.663505677805585 (1.55496e-09% change) linmin: converged after 6 iterations. iteration 76: trace = 6.66350567774166 (9.59328e-10% change) linmin: converged after 11 iterations. iteration 77: trace = 6.663505677713226 (4.26714e-10% change) linmin: converged after 12 iterations. iteration 78: trace = 6.663505677677864 (5.30681e-10% change) linmin: converged after 3 iterations. iteration 79: trace = 6.663505677642716 (5.27468e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622147 (3.08686e-10% change) linmin: converged after 8 iterations. iteration 81: trace = 6.66350567759535 (4.02136e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 6.663505677568827 (3.98044e-10% change) linmin: converged after 18 iterations. iteration 83: trace = 6.663505677549109 (2.95904e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.663505677537502 (1.74183e-10% change) linmin: converged after 15 iterations. iteration 85: trace = 6.663505677527904 (1.44046e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520201 (1.15602e-10% change) linmin: converged after 3 iterations. iteration 87: trace = 6.663505677515447 (7.13368e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 6.630832672119141 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447307474669 (0.144043% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737973941565899 (0.0960268% change) linmin: converged after 4 iterations. iteration 3: trace = 6.7321417456039 (0.0865946% change) linmin: converged after 8 iterations. iteration 4: trace = 6.724828793447526 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434238463905 (0.0504907% change) linmin: converged after 4 iterations. iteration 6: trace = 6.718962204375529 (0.0367851% change) linmin: converged after 4 iterations. iteration 7: trace = 6.71754313371084 (0.0211226% change) linmin: converged after 3 iterations. iteration 8: trace = 6.716463676546428 (0.0160705% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767540221497 (0.0103652% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605751396071 (0.0173009% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521993031621 (0.0161416% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581835798039 (0.0140049% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589814736715 (0.0147796% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907669805348 (0.0101642% change) linmin: converged after 3 iterations. iteration 15: trace = 6.710743952061529 (0.00243961% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647110722 (0.00478803% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149736315026 (0.00406705% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926499306195 (0.00332691% change) linmin: converged after 3 iterations. iteration 19: trace = 6.70961522287071 (0.00463915% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090015506 (0.00345976% change) linmin: converged after 3 iterations. iteration 21: trace = 6.709272386637894 (0.00164999% change) linmin: converged after 4 iterations. iteration 22: trace = 6.709164433611233 (0.00160903% change) linmin: converged after 3 iterations. iteration 23: trace = 6.709082283800279 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040657597047 (0.000620447% change) linmin: converged after 6 iterations. iteration 25: trace = 6.709012986509509 (0.000412446% change) linmin: converged after 4 iterations. iteration 26: trace = 6.708973601273001 (0.000587051% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949150197562 (0.000364454% change) linmin: converged after 3 iterations. iteration 28: trace = 6.708939654361957 (0.00014154% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851625929 (0.000265359% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911468656734 (0.000154764% change) linmin: converged after 4 iterations. iteration 31: trace = 6.708903821429137 (0.000113986% change) linmin: converged after 4 iterations. iteration 32: trace = 6.708893718396827 (0.000150592% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883944390179 (0.000145687% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879439394104 (6.71497e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.708871489175596 (0.000118503% change) linmin: converged after 5 iterations. iteration 36: trace = 6.708866031173947 (8.1355e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 6.708863196863298 (4.22472e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.708860828992563 (3.52947e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.708858447879621 (3.54921e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.708856997908971 (2.16128e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.708854902056788 (3.12401e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.708852610114659 (3.41629e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.708851929347248 (1.01473e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.70885123765442 (1.03102e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.708850275606772 (1.434e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646092554 (9.38334e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882344398 (1.13842e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.70884831289677 (8.48801e-06% change) linmin: converged after 4 iterations. iteration 49: trace = 6.708847878955357 (6.4682e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.708847658426974 (3.28713e-06% change) large trace change predicted (7.009e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188186793 (7.00925e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832159407 (5.30683e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.70884661927558 (3.17318e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.708846387828648 (3.44988e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.708846177691116 (3.13225e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 6.708846099872972 (1.15993e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 6.708845988805979 (1.65553e-06% change) linmin: converged after 18 iterations. iteration 58: trace = 6.708845926158713 (9.33801e-07% change) linmin: converged after 16 iterations. iteration 59: trace = 6.708845871833847 (8.0975e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822810293 (7.3073e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.708845760354881 (9.30941e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.70884574299585 (2.58748e-07% change) linmin: converged after 2 iterations. iteration 63: trace = 6.708845724911501 (2.6956e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.708845702105487 (3.39939e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.708845680311983 (3.24847e-07% change) linmin: converged after 12 iterations. iteration 66: trace = 6.708845664242044 (2.39534e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650776603 (2.00712e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.708845645403581 (8.00886e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 6.708845642039955 (5.01372e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.708845640022787 (3.00673e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674559 (3.5002e-08% change) linmin: converged after 24 iterations. iteration 72: trace = 6.708845634534506 (4.68047e-08% change) linmin: converged after 13 iterations. iteration 73: trace = 6.708845632985962 (2.30821e-08% change) linmin: converged after 23 iterations. iteration 74: trace = 6.708845630876028 (3.145e-08% change) linmin: converged after 6 iterations. iteration 75: trace = 6.708845629670838 (1.79642e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628755188 (1.36484e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.708845628229398 (7.83727e-09% change) large trace change predicted (2.4866e-08%) linmin: converged after 2 iterations. iteration 78: trace = 6.708845626561165 (2.48662e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 6.708845625403788 (1.72515e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.708845624796508 (9.05194e-09% change) linmin: converged after 19 iterations. iteration 81: trace = 6.708845624335558 (6.87079e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623794145 (8.07014e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.708845623392814 (5.98211e-09% change) linmin: converged after 21 iterations. iteration 84: trace = 6.708845623153993 (3.5598e-09% change) linmin: converged after 6 iterations. iteration 85: trace = 6.708845622824449 (4.91207e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.708845622522188 (4.50541e-09% change) linmin: converged after 18 iterations. iteration 87: trace = 6.708845622387536 (2.00707e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.708845622195887 (2.85667e-09% change) linmin: converged after 18 iterations. iteration 89: trace = 6.70884562208388 (1.66955e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 6.708845622027289 (8.43531e-10% change) linmin: converged after 19 iterations. iteration 91: trace = 6.708845621977007 (7.49481e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 6.708845621907859 (1.0307e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 6.708845621870026 (5.63925e-10% change) linmin: converged after 4 iterations. iteration 94: trace = 6.708845621841363 (4.27246e-10% change) linmin: converged after 13 iterations. iteration 95: trace = 6.708845621811631 (4.43173e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.708845621769525 (6.27617e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.708845621746176 (3.48025e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.708845621736186 (1.48911e-10% change) linmin: converged after 13 iterations. iteration 99: trace = 6.708845621726324 (1.47005e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.70884562171491 (1.70133e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.708845621705029 (1.47283e-10% change) linmin: converged after 3 iterations. iteration 102: trace = 6.708845621699838 (7.73682e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 2.542381763458252 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698640861451 (0.215819% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922877737041 (0.173586% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206258646129 (0.128686% change) linmin: converged after 4 iterations. iteration 4: trace = 6.763253551367551 (0.0879767% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899926657764 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.75868135455443 (0.0328201% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086651767944 (0.0235977% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832192494575 (0.0185668% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118495440428 (0.0253694% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749081141424 (0.0350872% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302805579795 (0.0362383% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516481467488 (0.0116511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249224483678 (0.0187801% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632665005198 (0.00913836% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834466951791 (0.0118318% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082856580287 (0.0111425% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977418317787 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390381107973 (0.00870499% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072677318737 (0.00471145% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715957521778 (0.00529031% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464018739581 (0.00373653% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330318042049 (0.00198298% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122762263762 (0.00307845% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003826489738 (0.00176409% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741880968194836 (0.0018223% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788400386207 (0.00137304% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624608073153 (0.00242954% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503272403072 (0.00179981% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388489363317 (0.00170265% change) linmin: converged after 6 iterations. iteration 30: trace = 6.741262264059208 (0.00187241% change) linmin: converged after 4 iterations. iteration 31: trace = 6.741141893549124 (0.00178559% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091947525104 (0.000740916% change) large trace change predicted (0.00157119%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986068049176 (0.00157067% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890539396183 (0.00141714% change) linmin: converged after 5 iterations. iteration 35: trace = 6.740821369864309 (0.00102612% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737626272201 (0.00124234% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661828964681 (0.00112447% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629875908607 (0.000474036% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082860931 (0.000412322% change) linmin: converged after 3 iterations. iteration 40: trace = 6.74057055677319 (0.000467705% change) linmin: converged after 4 iterations. iteration 41: trace = 6.740536129170447 (0.000510753% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511930362675 (0.000359005% change) linmin: converged after 3 iterations. iteration 43: trace = 6.740477774219896 (0.00050673% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464323511324 (0.000199551% change) linmin: converged after 5 iterations. iteration 45: trace = 6.740454927655737 (0.000139395% change) linmin: converged after 3 iterations. iteration 46: trace = 6.740442913037723 (0.000178247% change) linmin: converged after 4 iterations. iteration 47: trace = 6.740433220338594 (0.000143799% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427239839696 (8.87258e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422387232863 (7.19926e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416731179712 (8.39125e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.740414147974462 (3.83241e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 6.740411996825589 (3.19142e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269503295 (4.04623e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 6.740406805457891 (3.65563e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527763937 (1.89557e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.74040426729544 (1.87002e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.740403728431312 (7.99454e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.74040343821672 (4.3056e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 6.74040294381777 (7.33486e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 6.740402141835069 (1.18981e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401774569884 (5.44871e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.740401383698345 (5.79894e-06% change) linmin: converged after 21 iterations. iteration 63: trace = 6.740401213335247 (2.52749e-06% change) linmin: converged after 6 iterations. iteration 64: trace = 6.740401083429761 (1.92727e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.740400960821545 (1.819e-06% change) linmin: converged after 20 iterations. iteration 66: trace = 6.740400775719694 (2.74615e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708161001 (1.00229e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.740400660070397 (7.13468e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 6.740400622547428 (5.56688e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.740400603121152 (2.88207e-07% change) linmin: converged after 25 iterations. iteration 71: trace = 6.740400587234104 (2.35699e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563942032 (3.45559e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 6.74040053383458 (4.46672e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 6.740400521561845 (1.82077e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 6.740400502327783 (2.85355e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 6.740400485760162 (2.45796e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468354878 (2.58223e-07% change) linmin: converged after 7 iterations. iteration 78: trace = 6.740400451032714 (2.5699e-07% change) linmin: converged after 8 iterations. iteration 79: trace = 6.740400430663469 (3.02196e-07% change) linmin: converged after 3 iterations. iteration 80: trace = 6.740400419605584 (1.64054e-07% change) linmin: converged after 4 iterations. iteration 81: trace = 6.740400411510347 (1.201e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400770022 (1.59343e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386870794 (2.06208e-07% change) linmin: converged after 5 iterations. iteration 84: trace = 6.740400376234819 (1.57794e-07% change) linmin: converged after 5 iterations. iteration 85: trace = 6.740400359188582 (2.52896e-07% change) linmin: converged after 7 iterations. iteration 86: trace = 6.740400345750545 (1.99366e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 6.740400338469746 (1.08017e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 6.740400333643833 (7.15968e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 6.740400326303956 (1.08894e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316352233 (1.47643e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308721648 (1.13207e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.740400300062985 (1.28459e-07% change) linmin: converged after 9 iterations. iteration 93: trace = 6.740400294141174 (8.78555e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 6.740400290913058 (4.7892e-08% change) linmin: converged after 18 iterations. iteration 95: trace = 6.740400289497243 (2.10049e-08% change) large trace change predicted (5.2805e-08%) linmin: converged after 4 iterations. iteration 96: trace = 6.740400285937942 (5.28055e-08% change) linmin: converged after 3 iterations. iteration 97: trace = 6.740400283463217 (3.67148e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.74040028134382 (3.14432e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.740400280029284 (1.95023e-08% change) linmin: converged after 14 iterations. iteration 100: trace = 6.740400279556239 (7.01806e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278706889 (1.26009e-08% change) linmin: converged after 9 iterations. iteration 102: trace = 6.740400277957828 (1.1113e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.74040027725008 (1.05001e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276415501 (1.23817e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.740400275748151 (9.90076e-09% change) linmin: converged after 15 iterations. iteration 106: trace = 6.740400275449092 (4.43681e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 6.740400275279894 (2.51021e-09% change) linmin: converged after 3 iterations. iteration 108: trace = 6.740400275008873 (4.02085e-09% change) linmin: converged after 24 iterations. iteration 109: trace = 6.740400274867506 (2.09731e-09% change) linmin: converged after 7 iterations. iteration 110: trace = 6.740400274745429 (1.81112e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 6.740400274636625 (1.61421e-09% change) linmin: converged after 15 iterations. iteration 112: trace = 6.740400274539723 (1.43763e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.740400274501827 (5.6222e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 6.740400274460936 (6.06653e-10% change) linmin: converged after 20 iterations. iteration 115: trace = 6.740400274396968 (9.49016e-10% change) linmin: converged after 4 iterations. iteration 116: trace = 6.740400274346779 (7.44602e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274324457 (3.31176e-10% change) linmin: converged after 10 iterations. iteration 118: trace = 6.740400274300108 (3.61233e-10% change) linmin: converged after 12 iterations. iteration 119: trace = 6.740400274274156 (3.85017e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 6.740400274255693 (2.73922e-10% change) linmin: converged after 5 iterations. iteration 121: trace = 6.740400274240774 (2.21333e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.740400274235373 (8.0129e-11% change) Finished solving for bands 1 to 8 after 122 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 4.000620365142822 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787869131036962 (0.213562% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022184685056 (0.174684% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929110656107 (0.0899616% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085903214131 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76529893784572 (0.0264102% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340738832111 (0.0289489% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043765597652 (0.0487596% change) linmin: converged after 5 iterations. iteration 8: trace = 6.757627129829937 (0.0357552% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754120010583084 (0.0519122% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635291017786 (0.036795% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275841749045 (0.0349524% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513898439189 (0.0112899% change) large trace change predicted (0.0342013%) linmin: converged after 3 iterations. iteration 13: trace = 6.746182767456395 (0.0345488% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300769664274 (0.0279011% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003412442922 (0.0340695% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281200562176 (0.0255478% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215643646952 (0.01581% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862055027246 (0.00524687% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332326270477 (0.00786111% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625986131111 (0.010483% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211471468036 (0.00615243% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596736496211 (0.00912489% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116024152479 (0.00713609% change) linmin: converged after 3 iterations. iteration 24: trace = 6.735569729691633 (0.00811026% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310739414691 (0.00384519% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879755717884 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393207020597 (0.00722457% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901757301224 (0.00729788% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209964646174 (0.0102738% change) linmin: converged after 5 iterations. iteration 30: trace = 6.732349680864258 (0.0127775% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921993238844 (0.00635293% change) linmin: converged after 3 iterations. iteration 32: trace = 6.731461181293171 (0.00684541% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024364467298 (0.00648939% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758295826775 (0.00395295% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487963239781 (0.00401646% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155609994504 (0.00493815% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721020072288 (0.00645756% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527784822336 (0.00287141% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325321973416 (0.00300862% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238834151795 (0.00128525% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183792049949 (0.000817958% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120140138635 (0.000945913% change) linmin: converged after 10 iterations. iteration 43: trace = 6.729017048419902 (0.00153204% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331344335 (0.000813154% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906736029314 (0.000826213% change) linmin: converged after 3 iterations. iteration 46: trace = 6.72886752280901 (0.000582759% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431634932 (0.000283721% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839603454578 (0.000131199% change) linmin: converged after 5 iterations. iteration 49: trace = 6.728828041633498 (0.000171825% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815697425562 (0.000183453% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808307359564 (0.000109827% change) linmin: converged after 5 iterations. iteration 52: trace = 6.728797325368938 (0.000163209% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790329078553 (0.000103975% change) linmin: converged after 3 iterations. iteration 54: trace = 6.728785446676176 (7.25599e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.728781938565318 (5.21359e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777422778094 (6.71115e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.728774451842456 (4.41527e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 6.728770672016333 (5.61741e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766387933817 (6.36682e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.728759704415217 (9.93276e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.728756010728964 (5.4894e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.728751332586158 (6.95247e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.728747964821566 (5.00504e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.728746080846179 (2.79989e-05% change) linmin: converged after 8 iterations. iteration 65: trace = 6.728743719135814 (3.50988e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.728741219553012 (3.71478e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.728737882113636 (4.95998e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.72873536428061 (3.74191e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.728731340105782 (5.98058e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.728730346437088 (1.47676e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.7287296102217 (1.09414e-05% change) linmin: converged after 5 iterations. iteration 72: trace = 6.728728725309153 (1.31513e-05% change) linmin: converged after 3 iterations. iteration 73: trace = 6.728727749456139 (1.45028e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727118022348 (9.38415e-06% change) linmin: converged after 6 iterations. iteration 75: trace = 6.728726359531559 (1.12724e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 6.728725548381308 (1.2055e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 6.728725091502313 (6.78998e-06% change) linmin: converged after 4 iterations. iteration 78: trace = 6.728724368396527 (1.07466e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.728723588971228 (1.15836e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668671786 (1.36772e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087357824 (8.63929e-06% change) linmin: converged after 7 iterations. iteration 82: trace = 6.728721147812294 (1.39632e-05% change) linmin: converged after 13 iterations. iteration 83: trace = 6.728720480630803 (9.91543e-06% change) linmin: converged after 14 iterations. iteration 84: trace = 6.728720022250231 (6.8123e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719587217784 (6.46531e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.728719152626347 (6.45875e-06% change) linmin: converged after 11 iterations. iteration 87: trace = 6.728718340375255 (1.20714e-05% change) linmin: converged after 3 iterations. iteration 88: trace = 6.728717407165203 (1.38691e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 6.728717031586748 (5.58172e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 6.728716494221418 (7.98615e-06% change) linmin: converged after 15 iterations. iteration 91: trace = 6.728716173520308 (4.76616e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.728715871447425 (4.48931e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 6.728715607440366 (3.92359e-06% change) large trace change predicted (1.12189e-05%) linmin: converged after 4 iterations. iteration 94: trace = 6.728714852406108 (1.12211e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.728714141787086 (1.0561e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790147111 (5.22596e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 6.728713564338646 (3.35589e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 6.728713374813461 (2.81666e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.728713158583984 (3.21353e-06% change) linmin: converged after 8 iterations. iteration 100: trace = 6.728713034371206 (1.84601e-06% change) large trace change predicted (4.58519e-06%) linmin: converged after 4 iterations. iteration 101: trace = 6.728712725847025 (4.58519e-06% change) linmin: converged after 2 iterations. iteration 102: trace = 6.728712543886957 (2.70423e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.728712456692896 (1.29585e-06% change) linmin: converged after 2 iterations. iteration 104: trace = 6.72871239495213 (9.17572e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 6.728712336779145 (8.64549e-07% change) linmin: converged after 4 iterations. iteration 106: trace = 6.728712234119468 (1.5257e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.728712175230691 (8.75186e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712078390714 (1.43921e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 6.728712037088355 (6.13823e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712016997982 (2.98577e-07% change) linmin: converged after 2 iterations. iteration 111: trace = 6.7287119995814 (2.5884e-07% change) linmin: converged after 5 iterations. iteration 112: trace = 6.728711988167984 (1.69623e-07% change) large trace change predicted (5.45653e-07%) linmin: converged after 7 iterations. iteration 113: trace = 6.728711951454009 (5.45632e-07% change) linmin: converged after 7 iterations. iteration 114: trace = 6.728711933875413 (2.61248e-07% change) linmin: converged after 4 iterations. iteration 115: trace = 6.728711912633354 (3.15693e-07% change) linmin: converged after 6 iterations. iteration 116: trace = 6.72871190060396 (1.78777e-07% change) linmin: converged after 11 iterations. iteration 117: trace = 6.728711892210939 (1.24734e-07% change) linmin: converged after 4 iterations. iteration 118: trace = 6.728711886442328 (8.57313e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.72871187512406 (1.68209e-07% change) linmin: converged after 9 iterations. iteration 120: trace = 6.72871186029251 (2.20422e-07% change) linmin: converged after 5 iterations. iteration 121: trace = 6.728711852295838 (1.18844e-07% change) linmin: converged after 6 iterations. iteration 122: trace = 6.72871184597498 (9.39386e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840446691 (8.21597e-08% change) linmin: converged after 3 iterations. iteration 124: trace = 6.728711834879699 (8.27349e-08% change) linmin: converged after 16 iterations. iteration 125: trace = 6.728711831685318 (4.74739e-08% change) large trace change predicted (1.16554e-07%) linmin: converged after 4 iterations. iteration 126: trace = 6.728711823842804 (1.16553e-07% change) linmin: converged after 15 iterations. iteration 127: trace = 6.728711818234581 (8.33477e-08% change) linmin: converged after 3 iterations. iteration 128: trace = 6.728711815038084 (4.75053e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812692525 (3.4859e-08% change) large trace change predicted (8.41082e-08%) linmin: converged after 7 iterations. iteration 130: trace = 6.728711807033185 (8.41073e-08% change) large trace change predicted (2.27277e-07%) linmin: converged after 10 iterations. iteration 131: trace = 6.728711791741209 (2.27265e-07% change) linmin: converged after 5 iterations. iteration 132: trace = 6.728711775495807 (2.41434e-07% change) linmin: converged after 25 iterations. iteration 133: trace = 6.728711762219022 (1.97315e-07% change) linmin: converged after 6 iterations. iteration 134: trace = 6.728711751589044 (1.57979e-07% change) large trace change predicted (4.56093e-07%) linmin: converged after 5 iterations. iteration 135: trace = 6.72871172090052 (4.56083e-07% change) large trace change predicted (9.31706e-07%) linmin: converged after 2 iterations. iteration 136: trace = 6.728711658205238 (9.31758e-07% change) large trace change predicted (2.00472e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711523280785 (2.0052e-06% change) near maximum in trace linmin: converged after 16 iterations. iteration 138: trace = 6.728496963236752 (0.00318877% change) linmin: converged after 5 iterations. iteration 139: trace = 6.72849605229283 (1.35386e-05% change) resetting CG direction... large trace change predicted (0.0179181%) linmin: converged after 3 iterations. iteration 140: trace = 6.72729169319085 (0.017901% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726483360322989 (0.0120164% change) linmin: converged after 4 iterations. iteration 142: trace = 6.725829893003075 (0.00971532% change) linmin: converged after 5 iterations. iteration 143: trace = 6.72493366907636 (0.013326% change) linmin: converged after 5 iterations. iteration 144: trace = 6.724434967696377 (0.00741598% change) large trace change predicted (0.0162821%) linmin: converged after 3 iterations. iteration 145: trace = 6.723335551737554 (0.0163509% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721936913540786 (0.0208049% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720860007019335 (0.0160221% change) linmin: converged after 4 iterations. iteration 148: trace = 6.720516129114879 (0.00511671% change) linmin: converged after 3 iterations. iteration 149: trace = 6.72005961410648 (0.00679309% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719567695781137 (0.00732042% change) linmin: converged after 4 iterations. iteration 151: trace = 6.719097667685411 (0.00699516% change) linmin: converged after 4 iterations. iteration 152: trace = 6.718389091966365 (0.0105463% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717747685615805 (0.00954748% change) linmin: converged after 4 iterations. iteration 154: trace = 6.717003451646676 (0.0110792% change) linmin: converged after 4 iterations. iteration 155: trace = 6.716649535030269 (0.0052691% change) large trace change predicted (0.0112011%) linmin: converged after 4 iterations. iteration 156: trace = 6.715900341724358 (0.0111549% change) linmin: converged after 4 iterations. iteration 157: trace = 6.715057636495906 (0.0125487% change) linmin: converged after 3 iterations. iteration 158: trace = 6.714368047421658 (0.0102698% change) large trace change predicted (0.0232645%) linmin: converged after 4 iterations. iteration 159: trace = 6.712809993748582 (0.0232075% change) linmin: converged after 5 iterations. iteration 160: trace = 6.710891996861516 (0.0285763% change) linmin: converged after 4 iterations. iteration 161: trace = 6.708745816543308 (0.0319857% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70758660581581 (0.0172806% change) linmin: converged after 4 iterations. iteration 163: trace = 6.705379527826505 (0.0329096% change) linmin: converged after 4 iterations. iteration 164: trace = 6.703497346238292 (0.0280737% change) linmin: converged after 4 iterations. iteration 165: trace = 6.700595878303398 (0.0432923% change) linmin: converged after 9 iterations. iteration 166: trace = 6.696527313068026 (0.0607379% change) linmin: converged after 5 iterations. iteration 167: trace = 6.69268119447419 (0.057451% change) linmin: converged after 7 iterations. iteration 168: trace = 6.688677049552969 (0.0598466% change) linmin: converged after 3 iterations. iteration 169: trace = 6.686942732733815 (0.0259325% change) linmin: converged after 3 iterations. iteration 170: trace = 6.685518855776348 (0.0212957% change) linmin: converged after 3 iterations. iteration 171: trace = 6.684005705162724 (0.0226358% change) linmin: converged after 3 iterations. iteration 172: trace = 6.683055585550433 (0.0142158% change) linmin: converged after 4 iterations. iteration 173: trace = 6.682077250719044 (0.0146401% change) linmin: converged after 4 iterations. iteration 174: trace = 6.680706089298033 (0.0205221% change) linmin: converged after 4 iterations. iteration 175: trace = 6.679288876253398 (0.0212158% change) linmin: converged after 4 iterations. iteration 176: trace = 6.67769860474827 (0.0238118% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675983319281102 (0.0256901% change) linmin: converged after 4 iterations. iteration 178: trace = 6.674070448935363 (0.0286571% change) linmin: converged after 5 iterations. iteration 179: trace = 6.671905339047649 (0.0324459% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670433407164131 (0.0220641% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669409020171365 (0.0153583% change) linmin: converged after 4 iterations. iteration 182: trace = 6.668180561876174 (0.018421% change) linmin: converged after 4 iterations. iteration 183: trace = 6.667087337699036 (0.016396% change) linmin: converged after 4 iterations. iteration 184: trace = 6.666481287171367 (0.0090906% change) linmin: converged after 4 iterations. iteration 185: trace = 6.665969009287798 (0.00768468% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665376381456404 (0.00889074% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664850263268718 (0.00789361% change) linmin: converged after 3 iterations. iteration 188: trace = 6.664377217486245 (0.00709787% change) linmin: converged after 4 iterations. iteration 189: trace = 6.663879358752522 (0.00747073% change) linmin: converged after 5 iterations. iteration 190: trace = 6.663329858957248 (0.00824628% change) linmin: converged after 4 iterations. iteration 191: trace = 6.662526578960382 (0.012056% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661487939743962 (0.0155905% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660741482372119 (0.0112062% change) linmin: converged after 4 iterations. iteration 194: trace = 6.660214767360173 (0.00790807% change) linmin: converged after 4 iterations. iteration 195: trace = 6.65959843248577 (0.00925441% change) linmin: converged after 3 iterations. iteration 196: trace = 6.659013590820788 (0.00878232% change) linmin: converged after 3 iterations. iteration 197: trace = 6.658670540881428 (0.0051518% change) linmin: converged after 3 iterations. iteration 198: trace = 6.65841493196519 (0.00383881% change) linmin: converged after 3 iterations. iteration 199: trace = 6.658130065745863 (0.00427838% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657842009810334 (0.00432647% change) linmin: converged after 4 iterations. iteration 201: trace = 6.657556259711143 (0.00429202% change) linmin: converged after 3 iterations. iteration 202: trace = 6.657216709973985 (0.00510035% change) linmin: converged after 4 iterations. iteration 203: trace = 6.656852095998891 (0.00547712% change) linmin: converged after 3 iterations. iteration 204: trace = 6.656459058615156 (0.00590443% change) linmin: converged after 4 iterations. iteration 205: trace = 6.655958827168101 (0.00751526% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655516807588693 (0.00664118% change) linmin: converged after 3 iterations. iteration 207: trace = 6.655239798139959 (0.00416219% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654966209363305 (0.00411096% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654615756002599 (0.00526618% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.653979604991168 (0.00956% change) linmin: converged after 4 iterations. iteration 211: trace = 6.653218593654713 (0.0114376% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652201431611209 (0.0152894% change) linmin: converged after 4 iterations. iteration 213: trace = 6.65147749573334 (0.0108832% change) linmin: converged after 3 iterations. iteration 214: trace = 6.650964114119063 (0.00771861% change) large trace change predicted (0.0193546%) linmin: converged after 3 iterations. iteration 215: trace = 6.649666222529873 (0.0195162% change) linmin: converged after 3 iterations. iteration 216: trace = 6.64868042765127 (0.0148258% change) linmin: converged after 3 iterations. iteration 217: trace = 6.648057836496214 (0.00936457% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647743680490572 (0.00472564% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647208628992315 (0.00804894% change) linmin: converged after 3 iterations. iteration 220: trace = 6.646298117029749 (0.0136986% change) linmin: converged after 3 iterations. iteration 221: trace = 6.645599180900577 (0.0105167% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644595576685413 (0.0151029% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644097086546495 (0.00750247% change) linmin: converged after 3 iterations. iteration 224: trace = 6.643772772082394 (0.00488136% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643495814646651 (0.00416876% change) large trace change predicted (0.0106768%) linmin: converged after 4 iterations. iteration 226: trace = 6.642785205699263 (0.0106969% change) linmin: converged after 4 iterations. iteration 227: trace = 6.642287015948828 (0.00749999% change) linmin: converged after 5 iterations. iteration 228: trace = 6.64174583793026 (0.0081478% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641208328703908 (0.00809322% change) linmin: converged after 4 iterations. iteration 230: trace = 6.640747751722186 (0.00693538% change) linmin: converged after 4 iterations. iteration 231: trace = 6.640529350610269 (0.00328886% change) linmin: converged after 4 iterations. iteration 232: trace = 6.640209002378969 (0.00482425% change) linmin: converged after 4 iterations. iteration 233: trace = 6.639843694588195 (0.0055016% change) linmin: converged after 5 iterations. iteration 234: trace = 6.639595338447476 (0.00374046% change) linmin: converged after 4 iterations. iteration 235: trace = 6.639337712689807 (0.00388022% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639222719883426 (0.00173201% change) linmin: converged after 3 iterations. iteration 237: trace = 6.639165809398814 (0.00085719% change) linmin: converged after 3 iterations. iteration 238: trace = 6.639089694226782 (0.00114646% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639015513604635 (0.00111734% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638972352133721 (0.000650121% change) linmin: converged after 7 iterations. iteration 241: trace = 6.638902462342726 (0.00105273% change) linmin: converged after 5 iterations. iteration 242: trace = 6.638846994028447 (0.000835508% change) linmin: converged after 7 iterations. iteration 243: trace = 6.638819500466276 (0.000414132% change) linmin: converged after 3 iterations. iteration 244: trace = 6.63880608064523 (0.000202142% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638792717858658 (0.000201283% change) linmin: converged after 4 iterations. iteration 246: trace = 6.638786869744692 (8.80901e-05% change) large trace change predicted (0.000180012%) linmin: converged after 3 iterations. iteration 247: trace = 6.638774923260716 (0.00017995% change) linmin: converged after 3 iterations. iteration 248: trace = 6.638764420528742 (0.000158203% change) linmin: converged after 3 iterations. iteration 249: trace = 6.638757353489586 (0.000106451% change) linmin: converged after 4 iterations. iteration 250: trace = 6.638753655777196 (5.56989e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 6.638749452632469 (6.33123e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.63874762843966 (2.7478e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 6.638745770381474 (2.79881e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 6.638743654139198 (3.18771e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 6.638741350734973 (3.46964e-05% change) linmin: converged after 4 iterations. iteration 256: trace = 6.638739804709138 (2.32879e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 6.638738669251487 (1.71035e-05% change) linmin: converged after 5 iterations. iteration 258: trace = 6.638737995315019 (1.01516e-05% change) linmin: converged after 6 iterations. iteration 259: trace = 6.63873760814984 (5.83191e-06% change) linmin: converged after 4 iterations. iteration 260: trace = 6.638736975731822 (9.52618e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.638736294176336 (1.02663e-05% change) linmin: converged after 5 iterations. iteration 262: trace = 6.638735839151034 (6.8541e-06% change) linmin: converged after 5 iterations. iteration 263: trace = 6.638735345491657 (7.43605e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 6.638735094546482 (3.78001e-06% change) linmin: converged after 20 iterations. iteration 265: trace = 6.638734983224069 (1.67686e-06% change) linmin: converged after 5 iterations. iteration 266: trace = 6.638734801873257 (2.73171e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 6.638734654017373 (2.22717e-06% change) linmin: converged after 5 iterations. iteration 268: trace = 6.638734484498977 (2.55347e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 6.638734332130647 (2.29514e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.63873420457886 (1.92133e-06% change) linmin: converged after 4 iterations. iteration 271: trace = 6.638734170222909 (5.17508e-07% change) linmin: converged after 7 iterations. iteration 272: trace = 6.638734116756808 (8.05366e-07% change) linmin: converged after 5 iterations. iteration 273: trace = 6.638734058698566 (8.74538e-07% change) linmin: converged after 5 iterations. iteration 274: trace = 6.63873399546925 (9.5243e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 6.638733932248243 (9.52305e-07% change) linmin: converged after 5 iterations. iteration 276: trace = 6.638733852553821 (1.20045e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 6.63873382391973 (4.31319e-07% change) linmin: converged after 5 iterations. iteration 278: trace = 6.638733792293237 (4.76393e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733763512676 (4.33525e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 280: trace = 6.638733752107141 (1.71803e-07% change) linmin: converged after 4 iterations. iteration 281: trace = 6.63873373936176 (1.91985e-07% change) linmin: converged after 5 iterations. iteration 282: trace = 6.638733721252703 (2.72779e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 6.638733697470379 (3.58236e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733685366086 (1.82328e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 6.638733662926075 (3.38016e-07% change) linmin: converged after 4 iterations. iteration 286: trace = 6.638733649275423 (2.05621e-07% change) linmin: converged after 5 iterations. iteration 287: trace = 6.638733639159769 (1.52373e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 6.638733628871877 (1.54968e-07% change) large trace change predicted (3.97332e-07%) linmin: converged after 5 iterations. iteration 289: trace = 6.638733602494101 (3.97331e-07% change) linmin: converged after 8 iterations. iteration 290: trace = 6.638733579895577 (3.40404e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 6.63873356599051 (2.09454e-07% change) linmin: converged after 7 iterations. iteration 292: trace = 6.638733550713064 (2.30126e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733543728417 (1.05211e-07% change) linmin: converged after 4 iterations. iteration 294: trace = 6.638733537913732 (8.75873e-08% change) linmin: converged after 14 iterations. iteration 295: trace = 6.638733531219156 (1.00841e-07% change) large trace change predicted (2.23511e-07%) linmin: converged after 10 iterations. iteration 296: trace = 6.638733516381063 (2.23508e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 6.638733504961065 (1.72021e-07% change) linmin: converged after 13 iterations. iteration 298: trace = 6.638733499170597 (8.72225e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733494745578 (6.66546e-08% change) linmin: converged after 4 iterations. iteration 300: trace = 6.63873349025442 (6.76508e-08% change) linmin: converged after 4 iterations. iteration 301: trace = 6.638733483199136 (1.06275e-07% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733477349042 (8.81206e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471926166 (8.16854e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733468406597 (5.30157e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466630242 (2.67574e-08% change) linmin: converged after 13 iterations. iteration 306: trace = 6.638733465585219 (1.57413e-08% change) linmin: converged after 5 iterations. iteration 307: trace = 6.638733463666293 (2.8905e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461560223 (3.1724e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733460353873 (1.81714e-08% change) linmin: converged after 7 iterations. iteration 310: trace = 6.638733459372367 (1.47845e-08% change) linmin: converged after 7 iterations. iteration 311: trace = 6.638733458546906 (1.2434e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733458034511 (7.71826e-09% change) linmin: converged after 7 iterations. iteration 313: trace = 6.638733457621008 (6.22864e-09% change) linmin: converged after 15 iterations. iteration 314: trace = 6.638733457335751 (4.29686e-09% change) large trace change predicted (1.06967e-08%) linmin: converged after 5 iterations. iteration 315: trace = 6.638733456625658 (1.06962e-08% change) linmin: converged after 6 iterations. iteration 316: trace = 6.638733456304072 (4.84408e-09% change) linmin: converged after 15 iterations. iteration 317: trace = 6.638733456122004 (2.74251e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.638733455993431 (1.93672e-09% change) linmin: converged after 19 iterations. iteration 319: trace = 6.638733455877123 (1.75196e-09% change) linmin: converged after 13 iterations. iteration 320: trace = 6.638733455803544 (1.10832e-09% change) linmin: converged after 12 iterations. iteration 321: trace = 6.638733455753677 (7.51162e-10% change) linmin: converged after 21 iterations. iteration 322: trace = 6.638733455681622 (1.08536e-09% change) linmin: converged after 18 iterations. iteration 323: trace = 6.638733455613798 (1.02165e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455575554 (5.76061e-10% change) linmin: converged after 9 iterations. iteration 325: trace = 6.638733455551931 (3.55848e-10% change) linmin: converged after 4 iterations. iteration 326: trace = 6.638733455530565 (3.21839e-10% change) linmin: converged after 9 iterations. iteration 327: trace = 6.638733455520651 (1.49333e-10% change) linmin: converged after 10 iterations. iteration 328: trace = 6.638733455508835 (1.77977e-10% change) linmin: converged after 2 iterations. iteration 329: trace = 6.638733455498822 (1.50832e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455486697 (1.82646e-10% change) linmin: converged after 6 iterations. iteration 331: trace = 6.638733455483321 (5.08526e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 13.64102578163147 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576237697 (0.100232% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613136247769 (0.0519975% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673751098646 (0.0292886% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597693969425 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315103587323 (0.0193775% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219281266017 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295857082153 (0.0290712% change) linmin: converged after 3 iterations. iteration 8: trace = 6.614179476934057 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797099966 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492239262217 (0.00390947% change) linmin: converged after 8 iterations. iteration 11: trace = 6.613099998232477 (0.0059311% change) linmin: converged after 4 iterations. iteration 12: trace = 6.612508450138579 (0.0089455% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911614851758 (0.00902626% change) linmin: converged after 4 iterations. iteration 14: trace = 6.61162197986756 (0.0043806% change) linmin: converged after 14 iterations. iteration 15: trace = 6.611528800444471 (0.00140934% change) linmin: converged after 11 iterations. iteration 16: trace = 6.611478383867063 (0.000762558% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401522207 (0.000786247% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799706302 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309374215812 (0.000717336% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236278071851 (0.00110563% change) linmin: converged after 3 iterations. iteration 21: trace = 6.61118424056561 (0.00078711% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157392516317 (0.000406101% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149765657109 (0.000115364% change) linmin: converged after 4 iterations. iteration 24: trace = 6.611137418834302 (0.000186758% change) linmin: converged after 4 iterations. iteration 25: trace = 6.611117110368845 (0.000307186% change) linmin: converged after 4 iterations. iteration 26: trace = 6.611106889872412 (0.000154596% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350540525 (0.000204797% change) linmin: converged after 5 iterations. iteration 28: trace = 6.611088832478344 (6.83406e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 6.611086832035665 (3.02589e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085130062883 (2.57442e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.61108264676884 (3.75626e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563945897 (6.17573e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077156727883 (2.12858e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809350823 (2.03806e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.611075193950397 (9.30863e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.611074698908572 (7.48807e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407571144 (4.40681e-06% change) large trace change predicted (9.33325e-06%) linmin: converged after 5 iterations. iteration 38: trace = 6.611073790580959 (9.33268e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203395692 (8.88184e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.611073052666175 (2.27996e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 6.611072941982572 (1.67422e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997705 (1.22499e-06% change) linmin: converged after 19 iterations. iteration 43: trace = 6.611072808571613 (7.93004e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776009633 (4.92537e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 6.611072738166845 (5.72415e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.61107269887773 (5.94293e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.611072683722457 (2.29241e-07% change) linmin: converged after 20 iterations. iteration 48: trace = 6.61107267223891 (1.73702e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.611072662758527 (1.43402e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 6.611072656973558 (8.75042e-08% change) linmin: converged after 14 iterations. iteration 51: trace = 6.611072652140479 (7.31058e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.611072646471644 (8.57476e-08% change) linmin: converged after 25 iterations. iteration 53: trace = 6.611072641170976 (8.01786e-08% change) linmin: converged after 3 iterations. iteration 54: trace = 6.611072640188722 (1.48577e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 6.611072639602137 (8.87277e-09% change) linmin: converged after 3 iterations. iteration 56: trace = 6.611072639215618 (5.84653e-09% change) linmin: converged after 23 iterations. iteration 57: trace = 6.611072638759814 (6.89456e-09% change) linmin: converged after 2 iterations. iteration 58: trace = 6.611072638476969 (4.27835e-09% change) linmin: converged after 20 iterations. iteration 59: trace = 6.611072638036925 (6.65617e-09% change) linmin: converged after 13 iterations. iteration 60: trace = 6.611072637785957 (3.79618e-09% change) linmin: converged after 16 iterations. iteration 61: trace = 6.611072637654685 (1.98564e-09% change) linmin: converged after 16 iterations. iteration 62: trace = 6.611072637586027 (1.03853e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.611072637534644 (7.77225e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 6.61107263749526 (5.95722e-10% change) linmin: converged after 18 iterations. iteration 65: trace = 6.611072637473985 (3.21815e-10% change) large trace change predicted (1.05833e-09%) linmin: converged after 5 iterations. iteration 66: trace = 6.611072637404018 (1.05833e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.611072637378244 (3.89848e-10% change) linmin: converged after 6 iterations. iteration 68: trace = 6.611072637366652 (1.7535e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361769 (7.3864e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 4.862880706787109 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.69654845025137 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465375486 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588326884 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417292113 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578973283696 (0.031062% change) linmin: converged after 3 iterations. iteration 6: trace = 6.677750731033851 (0.0423442% change) linmin: converged after 4 iterations. iteration 7: trace = 6.674361515453429 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248124937 (0.0271564% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357074217137 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273421945 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931877203758 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347339836 (0.00728183% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395948846 (0.0240443% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522604189 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786802305 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117138646 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208969369 (0.00708247% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367649856 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138450232 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 15 iterations. iteration 20: trace = 6.662160849237966 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.66197420989029 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520880363 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720875717 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.66140143678833 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968901323 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357520589 (0.000864867% change) linmin: converged after 3 iterations. iteration 27: trace = 6.661214838045455 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759371667 (0.000856885% change) linmin: converged after 5 iterations. iteration 29: trace = 6.661112661284326 (0.000677033% change) linmin: converged after 20 iterations. iteration 30: trace = 6.661070300433895 (0.000635945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.66105830797355 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292611342 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283401026 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969925144 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272803735 (0.000190619% change) linmin: converged after 5 iterations. iteration 36: trace = 6.660981057702862 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846356311 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536539435 (6.47025e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 6.660965329886953 (7.81666e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.660960399146574 (7.40244e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 6.66095569069584 (7.06873e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.660951410712856 (6.42548e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058569098 (5.03253e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.660947085941736 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.660945097035194 (2.98592e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.66094382178454 (1.91452e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 6.660942440494746 (2.07372e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.660941469353216 (1.45796e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.66094020410135 (1.89951e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.660939460723126 (1.11603e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.660938948018435 (7.69718e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435141803 (7.69977e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003174664 (6.48508e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.660937690969898 (4.6871e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.660937258482483 (6.49289e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.660937081002793 (2.66449e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.660937039777968 (6.18904e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.660936992667125 (7.07271e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 6.660936943518592 (7.37862e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.660936890577585 (7.94798e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 6.660936833465589 (8.57417e-07% change) linmin: converged after 24 iterations. iteration 62: trace = 6.660936777960926 (8.33286e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.660936765957731 (1.80203e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755017357 (1.64247e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.66093674650544 (1.27789e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.660936740715574 (8.69227e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737170697 (5.32189e-08% change) linmin: converged after 15 iterations. iteration 68: trace = 6.660936730929448 (9.36993e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 6.660936726678534 (6.38186e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.660936725045222 (2.45207e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723760564 (1.92865e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.660936722383546 (2.0673e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.660936721386091 (1.49747e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.660936720553865 (1.24941e-08% change) linmin: converged after 13 iterations. iteration 75: trace = 6.660936719204704 (2.02548e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718304 (1.35222e-08% change) linmin: converged after 20 iterations. iteration 77: trace = 6.660936717517122 (1.18133e-08% change) linmin: converged after 16 iterations. iteration 78: trace = 6.660936716876025 (9.62473e-09% change) linmin: converged after 12 iterations. iteration 79: trace = 6.660936716382677 (7.40658e-09% change) linmin: converged after 22 iterations. iteration 80: trace = 6.660936716200043 (2.74187e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66093671585187 (5.22709e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 6.660936715504881 (5.20931e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.66093671530523 (2.99734e-09% change) linmin: converged after 21 iterations. iteration 84: trace = 6.66093671508824 (3.25765e-09% change) linmin: converged after 9 iterations. iteration 85: trace = 6.660936714937202 (2.26751e-09% change) linmin: converged after 10 iterations. iteration 86: trace = 6.660936714833777 (1.55271e-09% change) linmin: converged after 6 iterations. iteration 87: trace = 6.660936714749974 (1.25813e-09% change) linmin: converged after 18 iterations. iteration 88: trace = 6.660936714697367 (7.89781e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617602 (1.19751e-09% change) linmin: converged after 16 iterations. iteration 90: trace = 6.660936714577185 (6.0677e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.66093671454266 (5.18325e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 6.660936714523179 (2.92471e-10% change) linmin: converged after 7 iterations. iteration 93: trace = 6.660936714512325 (1.62943e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 6.660936714494101 (2.73603e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.660936714476154 (2.6943e-10% change) linmin: converged after 6 iterations. iteration 96: trace = 6.66093671446064 (2.32907e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.660936714455401 (7.86581e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 5.8919970989227295 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693051154345 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914958893745 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.80349260183447 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.79848734870875 (0.0735959% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361675684579 (0.0754227% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739191682397 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782648806865124 (0.0455527% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936763703433 (0.099008% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502062135385 (0.124558% change) linmin: converged after 7 iterations. iteration 10: trace = 6.763226521067462 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059612273398 (0.0912245% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376366656176 (0.0841437% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749200935773478 (0.0322272% change) large trace change predicted (0.0987644%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591302242313 (0.0979801% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640411046187 (0.028938% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712689049472 (0.0434433% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520894288492 (0.0473833% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582934604476 (0.0287806% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242247617569 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109349512105 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644075980233 (0.0217808% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872574431966 (0.01147% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359736473234 (0.00762514% change) linmin: converged after 4 iterations. iteration 24: trace = 6.724756253268692 (0.00897365% change) linmin: converged after 4 iterations. iteration 25: trace = 6.72423135588593 (0.00780575% change) linmin: converged after 4 iterations. iteration 26: trace = 6.72353038351107 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053571704133 (0.00709194% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658821939687 (0.00587176% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318019409016 (0.00506959% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110946093002 (0.00308043% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805721101981 (0.00454072% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654547984085 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517298715021 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358436783906 (0.00236351% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272059164479 (0.00128513% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179700137169 (0.00137414% change) linmin: converged after 7 iterations. iteration 37: trace = 6.72112330194598 (0.000839115% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064008046548 (0.000882206% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970925766762 (0.00138494% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931118364441 (0.000592288% change) large trace change predicted (0.00161291%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822626495152 (0.00161425% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798459314678 (0.000359587% change) large trace change predicted (0.000726947%) linmin: converged after 4 iterations. iteration 43: trace = 6.720749733677937 (0.000725% change) linmin: converged after 4 iterations. iteration 44: trace = 6.720722599348418 (0.00040374% change) linmin: converged after 4 iterations. iteration 45: trace = 6.720705195838294 (0.000258953% change) large trace change predicted (0.000642163%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662127476741 (0.000640833% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647157207791 (0.00022275% change) linmin: converged after 8 iterations. iteration 48: trace = 6.720620433065634 (0.000397643% change) linmin: converged after 6 iterations. iteration 49: trace = 6.720599311445288 (0.000314281% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588137884642 (0.000166259% change) linmin: converged after 3 iterations. iteration 51: trace = 6.72057243682333 (0.000233627% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502321083 (0.000177582% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778306086 (0.000144691% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201518942 (0.000130393% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071718374 (5.86779e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.72053381517578 (6.33364e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.720531116533037 (4.01552e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587074378 (5.25176e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523742686854 (5.72037e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452028452 (4.89643e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.720515635821292 (7.16642e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.72051369558301 (2.88704e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.720511339613811 (3.50564e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233489242 (1.64589e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 6.720509525527539 (1.05343e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403284164 (1.66988e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 6.720507795474456 (9.0441e-06% change) large trace change predicted (2.55095e-05%) linmin: converged after 7 iterations. iteration 68: trace = 6.720506081153956 (2.55088e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.720505166064807 (1.36164e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.720504632404202 (7.94078e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757869241 (1.30129e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155026131 (8.97021e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502824908291 (4.9121e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 6.72050226709905 (8.30011e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.720501617768297 (9.66194e-06% change) linmin: converged after 12 iterations. iteration 76: trace = 6.720501326228034 (4.33807e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.720500923028406 (5.99955e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.720500448443767 (7.06175e-06% change) linmin: converged after 4 iterations. iteration 79: trace = 6.720500087656586 (5.36846e-06% change) linmin: converged after 4 iterations. iteration 80: trace = 6.720499710699892 (5.60906e-06% change) linmin: converged after 6 iterations. iteration 81: trace = 6.72049940863037 (4.49475e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351281875 (8.53337e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.720499245521641 (1.5737e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.72049913262799 (1.67984e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.720498945729719 (2.78102e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.720498852363972 (1.38927e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.720498761849329 (1.34684e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 6.7204986739702 (1.30763e-06% change) linmin: converged after 10 iterations. iteration 89: trace = 6.720498653720747 (3.01309e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625582296 (4.18696e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602021372 (3.50583e-07% change) linmin: converged after 8 iterations. iteration 92: trace = 6.720498576202601 (3.84179e-07% change) linmin: converged after 22 iterations. iteration 93: trace = 6.720498560284163 (2.36864e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532121002 (4.19064e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 6.720498515238853 (2.51204e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508370332 (1.02203e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076403 (1.38292e-07% change) linmin: converged after 10 iterations. iteration 98: trace = 6.720498492447143 (9.86424e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.72049849018129 (3.37155e-08% change) linmin: converged after 4 iterations. iteration 100: trace = 6.720498486342221 (5.71248e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482650953 (5.49255e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.720498480429661 (3.30525e-08% change) linmin: converged after 12 iterations. iteration 103: trace = 6.720498478111147 (3.44991e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474206468 (5.8101e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.720498473262042 (1.40529e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471876009 (2.0624e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 6.720498470967589 (1.35172e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470312162 (9.75265e-09% change) linmin: converged after 9 iterations. iteration 109: trace = 6.720498469396089 (1.3631e-08% change) linmin: converged after 7 iterations. iteration 110: trace = 6.720498468512294 (1.31507e-08% change) linmin: converged after 21 iterations. iteration 111: trace = 6.720498467999879 (7.62466e-09% change) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467640348 (5.34977e-09% change) linmin: converged after 21 iterations. iteration 113: trace = 6.720498466970739 (9.96368e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 6.720498466677312 (4.36614e-09% change) linmin: converged after 18 iterations. iteration 115: trace = 6.720498466441213 (3.51312e-09% change) linmin: converged after 6 iterations. iteration 116: trace = 6.720498466250924 (2.83147e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 6.720498466096265 (2.30131e-09% change) linmin: converged after 6 iterations. iteration 118: trace = 6.720498466030922 (9.72285e-10% change) large trace change predicted (2.34671e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873208 (2.34677e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.720498465788122 (1.26606e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.72049846573104 (8.49363e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.720498465696925 (5.07638e-10% change) large trace change predicted (1.13909e-09%) linmin: converged after 4 iterations. iteration 123: trace = 6.720498465620373 (1.13907e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465587363 (4.91198e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.720498465572864 (2.15737e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558189 (2.18354e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.720498465551671 (9.69919e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 6.7886412143707275 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955556140274 (0.370677% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471737212765 (0.286686% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412303737587 (0.296017% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821519024953 (0.0530819% change) large trace change predicted (0.161506%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550698624738 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349113007221 (0.0918964% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351595821003 (0.0592809% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815037306753 (0.0524744% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500269504852 (0.0195152% change) large trace change predicted (0.0500715%) linmin: converged after 3 iterations. iteration 10: trace = 6.73311324788274 (0.0502913% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523288857191 (0.0236168% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172175479501 (0.034933% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626362365467 (0.0378396% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266958049311 (0.0202113% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631997987897 (0.0391877% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297487258514 (0.019853% change) linmin: converged after 3 iterations. iteration 17: trace = 6.718798677954432 (0.0371844% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806389042686 (0.0147699% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974632417087 (0.0123821% change) linmin: converged after 3 iterations. iteration 20: trace = 6.716373073156239 (0.00895621% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154314212861 (0.00325715% change) large trace change predicted (0.010166%) linmin: converged after 3 iterations. iteration 22: trace = 6.715471644375278 (0.0101651% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518352147316 (0.00429053% change) large trace change predicted (0.0113975%) linmin: converged after 4 iterations. iteration 24: trace = 6.714417842276712 (0.0114029% change) linmin: converged after 3 iterations. iteration 25: trace = 6.71402394833166 (0.00586656% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806570525517 (0.00323772% change) linmin: converged after 5 iterations. iteration 27: trace = 6.713579695830396 (0.00337928% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511757404212 (0.00101196% change) large trace change predicted (0.00208817%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371332358085 (0.0020917% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315097566395 (0.000837657% change) large trace change predicted (0.00185176%) linmin: converged after 5 iterations. iteration 31: trace = 6.713190944166159 (0.00184938% change) linmin: converged after 4 iterations. iteration 32: trace = 6.7131186964011 (0.00107621% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048706918499 (0.00104258% change) linmin: converged after 4 iterations. iteration 34: trace = 6.712960197297235 (0.00131848% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939425580438 (0.000309428% change) large trace change predicted (0.000713864%) linmin: converged after 3 iterations. iteration 36: trace = 6.71289150503998 (0.000713856% change) linmin: converged after 3 iterations. iteration 37: trace = 6.712883805566732 (0.000114697% change) large trace change predicted (0.000489954%) linmin: converged after 4 iterations. iteration 38: trace = 6.712850924275557 (0.000489825% change) linmin: converged after 19 iterations. iteration 39: trace = 6.712831958893488 (0.000282524% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819123704335 (0.000191204% change) linmin: converged after 6 iterations. iteration 41: trace = 6.712799138643009 (0.000297715% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794545329164 (6.84262e-05% change) large trace change predicted (0.000162524%) linmin: converged after 3 iterations. iteration 43: trace = 6.712783638971096 (0.000162471% change) linmin: converged after 5 iterations. iteration 44: trace = 6.712781297147715 (3.4886e-05% change) large trace change predicted (8.74701e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.712775425512478 (8.74695e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.712773788701442 (2.43835e-05% change) large trace change predicted (5.15564e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326443451 (5.15772e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767503408735 (4.20547e-05% change) linmin: converged after 6 iterations. iteration 49: trace = 6.712766705976109 (1.18793e-05% change) large trace change predicted (4.49264e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.71276368972368 (4.49331e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102513145 (8.74767e-06% change) large trace change predicted (2.71726e-05%) linmin: converged after 3 iterations. iteration 52: trace = 6.712761278472607 (2.71727e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760420261901 (1.27848e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.712759718319123 (1.04568e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902232367 (1.03682e-05% change) linmin: converged after 11 iterations. iteration 56: trace = 6.712758847542699 (2.60371e-06% change) large trace change predicted (8.44623e-06%) linmin: converged after 5 iterations. iteration 57: trace = 6.712758280673249 (8.44466e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165186811 (1.7204e-06% change) large trace change predicted (5.84776e-06%) linmin: converged after 4 iterations. iteration 59: trace = 6.712757772705874 (5.84679e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 6.71275757260235 (2.98094e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429146562 (2.13706e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251616035 (2.64467e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218523445 (4.92981e-07% change) large trace change predicted (1.75914e-06%) linmin: converged after 3 iterations. iteration 64: trace = 6.712757100431663 (1.75921e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.712757077204495 (3.46015e-07% change) large trace change predicted (7.749e-07%) linmin: converged after 11 iterations. iteration 66: trace = 6.712757025186075 (7.74919e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 6.712756982495279 (6.35965e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959208504 (3.46903e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913014613 (6.88151e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.71275690086043 (1.81061e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887622769 (1.97202e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883398935 (6.29225e-08% change) large trace change predicted (1.50495e-07%) linmin: converged after 4 iterations. iteration 73: trace = 6.712756873296715 (1.50493e-07% change) linmin: converged after 3 iterations. iteration 74: trace = 6.712756865398307 (1.17663e-07% change) linmin: converged after 11 iterations. iteration 75: trace = 6.712756859678924 (8.52017e-08% change) large trace change predicted (2.04395e-07%) linmin: converged after 4 iterations. iteration 76: trace = 6.712756845958428 (2.04394e-07% change) linmin: converged after 8 iterations. iteration 77: trace = 6.712756843616824 (3.48829e-08% change) large trace change predicted (1.27333e-07%) linmin: converged after 3 iterations. iteration 78: trace = 6.712756835069192 (1.27334e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.712756830481178 (6.83477e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.712756828633961 (2.7518e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.712756824945631 (5.49451e-08% change) linmin: converged after 8 iterations. iteration 82: trace = 6.712756821600133 (4.98379e-08% change) linmin: converged after 5 iterations. iteration 83: trace = 6.712756819597407 (2.98346e-08% change) linmin: converged after 5 iterations. iteration 84: trace = 6.712756818706199 (1.32763e-08% change) large trace change predicted (2.89885e-08%) linmin: converged after 4 iterations. iteration 85: trace = 6.712756816760288 (2.89883e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.712756815150729 (2.39776e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814905236 (3.6571e-09% change) large trace change predicted (1.10318e-08%) linmin: converged after 2 iterations. iteration 88: trace = 6.712756814164701 (1.10318e-08% change) linmin: converged after 6 iterations. iteration 89: trace = 6.712756813774292 (5.81592e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.712756813420962 (5.26356e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 6.712756812889936 (7.91071e-09% change) linmin: converged after 18 iterations. iteration 92: trace = 6.712756812738028 (2.26297e-09% change) large trace change predicted (5.55353e-09%) linmin: converged after 4 iterations. iteration 93: trace = 6.712756812365232 (5.55355e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.712756811971886 (5.85968e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.71275681189128 (1.20078e-09% change) large trace change predicted (3.72477e-09%) linmin: converged after 5 iterations. iteration 96: trace = 6.712756811641245 (3.72477e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 6.712756811541787 (1.48163e-09% change) linmin: converged after 12 iterations. iteration 98: trace = 6.712756811501063 (6.06664e-10% change) large trace change predicted (1.81005e-09%) linmin: converged after 9 iterations. iteration 99: trace = 6.712756811379562 (1.81e-09% change) linmin: converged after 17 iterations. iteration 100: trace = 6.712756811258247 (1.80724e-09% change) linmin: converged after 6 iterations. iteration 101: trace = 6.712756811215185 (6.41502e-10% change) linmin: converged after 16 iterations. iteration 102: trace = 6.71275681116723 (7.14379e-10% change) linmin: converged after 3 iterations. iteration 103: trace = 6.712756811117323 (7.43461e-10% change) linmin: converged after 3 iterations. iteration 104: trace = 6.71275681110847 (1.31889e-10% change) large trace change predicted (4.47684e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.712756811078423 (4.47612e-10% change) linmin: converged after 6 iterations. iteration 106: trace = 6.712756811072339 (9.06337e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 5.425622940063477 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.80444734924149 (0.0750996% change) large trace change predicted (0.247839%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509679861592 (0.249231% change) linmin: converged after 5 iterations. iteration 3: trace = 6.784166205009097 (0.0492714% change) large trace change predicted (0.154113%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847204144591 (0.15222% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519904103218 (0.0195964% change) large trace change predicted (0.0906923%) linmin: converged after 4 iterations. iteration 6: trace = 6.76622101075382 (0.0930499% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489299171062 (0.0108148% change) large trace change predicted (0.0789854%) linmin: converged after 4 iterations. iteration 8: trace = 6.75996017814931 (0.0817588% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699816788689 (0.0038516% change) large trace change predicted (0.0309306%) linmin: converged after 3 iterations. iteration 10: trace = 6.757603803320771 (0.0310123% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757368976585108 (0.00347506% change) large trace change predicted (0.0247087%) linmin: converged after 4 iterations. iteration 12: trace = 6.755700228916115 (0.0246983% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504759812125 (0.00289344% change) large trace change predicted (0.0128513%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652096422456 (0.0126226% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115825109953 (0.0079396% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542646068752 (0.00848673% change) large trace change predicted (0.0199712%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183278343487 (0.0201302% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084930996202 (0.00145654% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015895306619 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877629110741 (0.0020481% change) large trace change predicted (0.0154238%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833196250931 (0.0154723% change) linmin: converged after 4 iterations. iteration 22: trace = 6.74972827126466 (0.00155449% change) large trace change predicted (0.0115028%) linmin: converged after 4 iterations. iteration 23: trace = 6.748951997189061 (0.0115015% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764535701455 (0.00277768% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748475952935589 (0.00427617% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262766578589 (0.00315908% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165115519629 (0.00144707% change) large trace change predicted (0.00385758%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905812809182 (0.00384264% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846590929771 (0.000877637% change) large trace change predicted (0.00317726%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632828218109 (0.00316792% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606380527159 (0.000391956% change) large trace change predicted (0.00306595%) linmin: converged after 3 iterations. iteration 32: trace = 6.747399940914338 (0.0030595% change) linmin: converged after 3 iterations. iteration 33: trace = 6.747387710034533 (0.000181268% change) large trace change predicted (0.00242345%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225000358066 (0.00241148% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193961895454 (0.000460019% change) large trace change predicted (0.00107876%) linmin: converged after 4 iterations. iteration 36: trace = 6.74712142606743 (0.00107506% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099769663224 (0.000320973% change) large trace change predicted (0.000751368%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049140982288 (0.00075038% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008135494828 (0.000607756% change) linmin: converged after 5 iterations. iteration 40: trace = 6.746998865269536 (0.000137398% change) large trace change predicted (0.000631446%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956260900427 (0.000631459% change) linmin: converged after 5 iterations. iteration 42: trace = 6.746953502611817 (4.0882e-05% change) large trace change predicted (0.000481262%) linmin: converged after 11 iterations. iteration 43: trace = 6.746921045032736 (0.000481071% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917365692235 (5.45336e-05% change) large trace change predicted (0.000269929%) linmin: converged after 4 iterations. iteration 45: trace = 6.746899157853357 (0.000269869% change) linmin: converged after 6 iterations. iteration 46: trace = 6.746895007824238 (6.15102e-05% change) large trace change predicted (0.000193122%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881970177647 (0.000193239% change) linmin: converged after 5 iterations. iteration 48: trace = 6.746874481051124 (0.000111001% change) linmin: converged after 3 iterations. iteration 49: trace = 6.74686814248656 (9.39482e-05% change) linmin: converged after 7 iterations. iteration 50: trace = 6.746857504298402 (0.000157676% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855514151282 (2.94974e-05% change) large trace change predicted (0.000214674%) linmin: converged after 3 iterations. iteration 52: trace = 6.746841038003201 (0.000214562% change) linmin: converged after 3 iterations. iteration 53: trace = 6.746840193670483 (1.25145e-05% change) large trace change predicted (9.31738e-05%) linmin: converged after 5 iterations. iteration 54: trace = 6.746833910175999 (9.31324e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185907565 (1.07349e-05% change) large trace change predicted (5.96601e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162206959 (5.96384e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.746828725866173 (6.46735e-06% change) large trace change predicted (2.46907e-05%) linmin: converged after 4 iterations. iteration 58: trace = 6.746827060843097 (2.46786e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.746825889475502 (1.73618e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 6.74682545200113 (6.48415e-06% change) large trace change predicted (2.95707e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456747949 (2.95732e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.746823127121569 (4.88565e-06% change) large trace change predicted (2.68461e-05%) linmin: converged after 4 iterations. iteration 63: trace = 6.74682131595374 (2.68448e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.746821184315568 (1.95111e-06% change) large trace change predicted (1.52571e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154868746 (1.52583e-05% change) linmin: converged after 8 iterations. iteration 66: trace = 6.74682008163167 (1.08551e-06% change) large trace change predicted (7.09045e-06%) linmin: converged after 4 iterations. iteration 67: trace = 6.746819603220008 (7.09092e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452762287 (2.23005e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 6.746819257111356 (2.8999e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819148968335 (1.60287e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 6.746819008645379 (2.07984e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 6.746818910115123 (1.4604e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818744942249 (2.44816e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 6.746818616848882 (1.89857e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399168993 (3.22641e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.746818285618526 (1.68302e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.746818109702566 (2.60739e-06% change) linmin: converged after 5 iterations. iteration 78: trace = 6.746818071150313 (5.71414e-07% change) large trace change predicted (1.54215e-06%) linmin: converged after 3 iterations. iteration 79: trace = 6.746817967106427 (1.54212e-06% change) linmin: converged after 6 iterations. iteration 80: trace = 6.746817914962205 (7.72871e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.746817907520573 (1.10298e-07% change) large trace change predicted (1.26309e-06%) linmin: converged after 3 iterations. iteration 82: trace = 6.746817822299007 (1.26314e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.746817816412691 (8.72458e-08% change) large trace change predicted (1.121e-06%) linmin: converged after 17 iterations. iteration 84: trace = 6.746817740783988 (1.12095e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.746817736291042 (6.65936e-08% change) large trace change predicted (5.27588e-07%) linmin: converged after 4 iterations. iteration 86: trace = 6.746817700696071 (5.27582e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 6.746817697537579 (4.68145e-08% change) large trace change predicted (2.42189e-07%) linmin: converged after 3 iterations. iteration 88: trace = 6.746817681197692 (2.42187e-07% change) linmin: converged after 10 iterations. iteration 89: trace = 6.746817679551438 (2.44004e-08% change) large trace change predicted (2.00116e-07%) linmin: converged after 4 iterations. iteration 90: trace = 6.746817666050124 (2.00114e-07% change) linmin: converged after 7 iterations. iteration 91: trace = 6.746817665195209 (1.26714e-08% change) large trace change predicted (1.41807e-07%) linmin: converged after 4 iterations. iteration 92: trace = 6.746817655627826 (1.41806e-07% change) linmin: converged after 17 iterations. iteration 93: trace = 6.746817651729666 (5.77778e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 6.746817646131488 (8.29751e-08% change) linmin: converged after 22 iterations. iteration 95: trace = 6.746817644277099 (2.74854e-08% change) large trace change predicted (9.75244e-08%) linmin: converged after 6 iterations. iteration 96: trace = 6.746817637697275 (9.75249e-08% change) linmin: converged after 3 iterations. iteration 97: trace = 6.746817631613324 (9.01751e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.746817629969141 (2.43698e-08% change) large trace change predicted (5.62167e-08%) linmin: converged after 7 iterations. iteration 99: trace = 6.746817626176255 (5.62174e-08% change) linmin: converged after 4 iterations. iteration 100: trace = 6.746817625998658 (2.6323e-09% change) large trace change predicted (2.67258e-08%) linmin: converged after 5 iterations. iteration 101: trace = 6.746817624195511 (2.67259e-08% change) linmin: converged after 18 iterations. iteration 102: trace = 6.746817624092343 (1.52914e-09% change) large trace change predicted (1.60312e-08%) linmin: converged after 7 iterations. iteration 103: trace = 6.746817623010754 (1.60311e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.746817622436037 (8.51834e-09% change) linmin: converged after 4 iterations. iteration 105: trace = 6.746817621785468 (9.64261e-09% change) linmin: converged after 5 iterations. iteration 106: trace = 6.74681762145442 (4.90673e-09% change) large trace change predicted (1.3825e-08%) linmin: converged after 11 iterations. iteration 107: trace = 6.746817620521669 (1.3825e-08% change) linmin: converged after 3 iterations. iteration 108: trace = 6.74681762035762 (2.43151e-09% change) large trace change predicted (1.04639e-08%) linmin: converged after 3 iterations. iteration 109: trace = 6.746817619651639 (1.04639e-08% change) linmin: converged after 21 iterations. iteration 110: trace = 6.746817619527318 (1.84265e-09% change) large trace change predicted (4.56389e-09%) linmin: converged after 5 iterations. iteration 111: trace = 6.746817619219398 (4.56393e-09% change) linmin: converged after 21 iterations. iteration 112: trace = 6.746817619050921 (2.49714e-09% change) linmin: converged after 13 iterations. iteration 113: trace = 6.746817619023888 (4.00672e-10% change) large trace change predicted (3.13756e-09%) linmin: converged after 8 iterations. iteration 114: trace = 6.746817618812205 (3.13753e-09% change) linmin: converged after 30 iterations. iteration 115: trace = 6.746817618787656 (3.63864e-10% change) large trace change predicted (2.92371e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618590385 (2.92391e-09% change) linmin: converged after 13 iterations. iteration 117: trace = 6.746817618580838 (1.41504e-10% change) large trace change predicted (1.13475e-09%) linmin: converged after 6 iterations. iteration 118: trace = 6.746817618504276 (1.13478e-09% change) linmin: converged after 14 iterations. iteration 119: trace = 6.746817618454823 (7.32981e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.746817618415577 (5.81696e-10% change) large trace change predicted (1.74193e-09%) linmin: converged after 4 iterations. iteration 121: trace = 6.746817618298057 (1.74186e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.746817618288061 (1.48165e-10% change) large trace change predicted (1.20878e-09%) linmin: converged after 3 iterations. iteration 123: trace = 6.746817618206498 (1.20891e-09% change) linmin: converged after 18 iterations. iteration 124: trace = 6.746817618200175 (9.37174e-11% change) Finished solving for bands 1 to 8 after 124 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 5.664405584335327 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925815589740352 (0.213086% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912657451418982 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904259207642106 (0.121565% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896683306528804 (0.109788% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893478340658833 (0.0464819% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890275249404994 (0.0464763% change) linmin: converged after 4 iterations. iteration 7: trace = 6.88746232226138 (0.0408329% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497665665549 (0.0721085% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879291206270548 (0.0465995% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875157179961427 (0.0601118% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798467860802 (0.0343136% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870795223905797 (0.0291517% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868396093380295 (0.0349239% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214612792483 (0.0317662% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840271539301 (0.020018% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049240915596 (0.0115236% change) large trace change predicted (0.0249863%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313424264353 (0.0252917% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715394507212 (0.0232898% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968989175805 (0.01088% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859392109237456 (0.00840972% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827626036319 (0.00822969% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164505689224 (0.0096686% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406250653263 (0.0110568% change) linmin: converged after 3 iterations. iteration 24: trace = 6.85683287536164 (0.00836175% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491631888686 (0.00497682% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252250422006 (0.00349137% change) linmin: converged after 3 iterations. iteration 27: trace = 6.85604893183505 (0.00296549% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800417232196 (0.00362482% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651439140903 (0.00217305% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512464226376 (0.00202718% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355734278182 (0.00228621% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230972393667 (0.00181994% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155374530219 (0.00110278% change) linmin: converged after 4 iterations. iteration 34: trace = 6.855094933253942 (0.000881695% change) linmin: converged after 3 iterations. iteration 35: trace = 6.855025229467456 (0.00101682% change) linmin: converged after 3 iterations. iteration 36: trace = 6.854917696537447 (0.00156869% change) linmin: converged after 3 iterations. iteration 37: trace = 6.85486549815063 (0.000761476% change) linmin: converged after 5 iterations. iteration 38: trace = 6.854810992220552 (0.000795145% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754440769444 (0.000824993% change) linmin: converged after 4 iterations. iteration 40: trace = 6.85469886899431 (0.000810707% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636662939932 (0.000907499% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585365974754 (0.000748357% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557548022263 (0.000405831% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534994185942 (0.000329035% change) linmin: converged after 3 iterations. iteration 45: trace = 6.85450785550156 (0.000395924% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474005050851 (0.000493843% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448914649447 (0.000366045% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430745914645 (0.000265065% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409553926399 (0.000309173% change) linmin: converged after 4 iterations. iteration 50: trace = 6.85438682062453 (0.00033166% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372357809184 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363723374869 (0.00012597% change) linmin: converged after 4 iterations. iteration 53: trace = 6.854355940929942 (0.00011354% change) linmin: converged after 3 iterations. iteration 54: trace = 6.85434821874854 (0.000112661% change) linmin: converged after 3 iterations. iteration 55: trace = 6.854341815286637 (9.34219e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.854336867721653 (7.21815e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 6.854332981607654 (5.66957e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856576943 (6.01814e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.854325493483163 (4.90653e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731159143 (6.94791e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900868841 (4.12921e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.854316466823581 (2.09218e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.854314812695256 (2.41327e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.854312708151092 (3.07039e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570389338 (3.11886e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.85430927581082 (1.88871e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864176373 (2.05948e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.854306225951006 (2.39007e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757710064 (2.14207e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.854304291924876 (6.79551e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980931975 (4.53719e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707086157 (3.99524e-06% change) linmin: converged after 6 iterations. iteration 73: trace = 6.854303306312968 (5.84703e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.854303028530163 (4.05268e-06% change) linmin: converged after 6 iterations. iteration 75: trace = 6.85430285708269 (2.50131e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.85430271647393 (2.05139e-06% change) linmin: converged after 28 iterations. iteration 77: trace = 6.854302589384792 (1.85415e-06% change) linmin: converged after 4 iterations. iteration 78: trace = 6.854302422075683 (2.44094e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178708359 (3.55058e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043218789 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959912175 (1.21539e-06% change) linmin: converged after 6 iterations. iteration 82: trace = 6.854301838226057 (1.77532e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701178418 (1.99944e-06% change) linmin: converged after 7 iterations. iteration 84: trace = 6.854301574170723 (1.85296e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.854301492777619 (1.18747e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369197436 (1.80296e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206123752 (2.37914e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 6.854301115069514 (1.32842e-06% change) linmin: converged after 8 iterations. iteration 89: trace = 6.85430106142502 (7.8264e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.854301010593968 (7.41594e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.85430095417636 (8.23098e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 6.854300910084266 (6.43276e-07% change) linmin: converged after 11 iterations. iteration 93: trace = 6.854300884311806 (3.76004e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873286673 (1.6085e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.854300863332568 (1.45224e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.854300852298006 (1.60987e-07% change) linmin: converged after 3 iterations. iteration 97: trace = 6.854300845287994 (1.02272e-07% change) linmin: converged after 4 iterations. iteration 98: trace = 6.85430083971744 (8.12709e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.854300833154365 (9.57512e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 6.85430082495542 (1.19618e-07% change) linmin: converged after 5 iterations. iteration 101: trace = 6.854300821454061 (5.10827e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.85430081941635 (2.97289e-08% change) linmin: converged after 7 iterations. iteration 103: trace = 6.854300816198153 (4.69515e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810981886 (7.61021e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854300805513756 (7.97766e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800838592 (6.82077e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854300798699084 (3.12141e-08% change) linmin: converged after 11 iterations. iteration 108: trace = 6.854300795827652 (4.18924e-08% change) large trace change predicted (8.57014e-08%) linmin: converged after 3 iterations. iteration 109: trace = 6.854300789953402 (8.57017e-08% change) linmin: converged after 12 iterations. iteration 110: trace = 6.854300784489385 (7.97166e-08% change) linmin: converged after 3 iterations. iteration 111: trace = 6.854300782589322 (2.77207e-08% change) linmin: converged after 4 iterations. iteration 112: trace = 6.854300780944767 (2.3993e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854300777947171 (4.37331e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 6.854300776043421 (2.77745e-08% change) linmin: converged after 23 iterations. iteration 115: trace = 6.854300775108526 (1.36395e-08% change) linmin: converged after 14 iterations. iteration 116: trace = 6.854300773907577 (1.75211e-08% change) linmin: converged after 15 iterations. iteration 117: trace = 6.854300773061912 (1.23377e-08% change) linmin: converged after 2 iterations. iteration 118: trace = 6.854300772493293 (8.2958e-09% change) linmin: converged after 2 iterations. iteration 119: trace = 6.85430077209776 (5.77057e-09% change) linmin: converged after 15 iterations. iteration 120: trace = 6.854300771871914 (3.29495e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854300771709916 (2.36346e-09% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854300771420593 (4.22105e-09% change) linmin: converged after 2 iterations. iteration 123: trace = 6.854300771299132 (1.77203e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230592 (9.99967e-10% change) linmin: converged after 2 iterations. iteration 125: trace = 6.854300771169991 (8.84122e-10% change) linmin: converged after 14 iterations. iteration 126: trace = 6.854300771102302 (9.8754e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.854300771046526 (8.13748e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013546 (4.81155e-10% change) linmin: converged after 4 iterations. iteration 129: trace = 6.854300770988935 (3.59052e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.854300770974049 (2.17176e-10% change) linmin: converged after 6 iterations. iteration 131: trace = 6.854300770966527 (1.09741e-10% change) linmin: converged after 3 iterations. iteration 132: trace = 6.854300770959911 (9.65239e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.8816351890563965 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037562 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872546 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290579 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323032282 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711838 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810481 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007027 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606102744 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228732 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717604 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037562) to band 2 (0.4732823234872546), 12.756230634742094% Gap from band 4 (0.8863448167711838) to band 5 (0.9047498485810481), 2.055171305671308% total elapsed time for run: 96.28697037696838 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepYM7cP9/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepYM7cP9/test_run_te_with_mu_material-0: 96.33s /tmp/meepYM7cP9/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0041048526763916016 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.6609959602355957 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.3806731700897217 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.144148588180542 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.11991524696350098 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.14795923233032227 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.1523890495300293 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.1312103271484375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.11453747749328613 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.2215883731842041 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.1628437042236328 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.19058489799499512 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.35074806213378906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.12117624282836914 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.1314697265625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.13598155975341797 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.6432275772094727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 3.8167724609375 done /tmp/meepYM7cP9/test_run_tm-0: 3.82s /tmp/meepYM7cP9/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.015459537506103516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9402763843536377 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.27549147605896 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.26644277572631836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.34723901748657227 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.30844664573669434 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5438129901885986 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.323089599609375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.26929497718811035 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.23890423774719238 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.214341402053833 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.23296093940734863 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1943655014038086 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.2551405429840088 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24403786659240723 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.32837367057800293 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6922283172607422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 7.693256378173828 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004832267761230469 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3631584644317627 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.8576312065124512 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5290212631225586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.526970386505127 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.30340123176574707 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.796459436416626 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 1.1151065826416016 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.4767608642578125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3412489891052246 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.30817317962646484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.42491912841796875 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 1.0122346878051758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.6293001174926758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.8015284538269043 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.9473361968994141 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.9903767108917236 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 12.432462692260742 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004652261734008789 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3805427551269531 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.1304490566253662 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.21662688255310059 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.19649744033813477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.22391057014465332 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.41349077224731445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28005194664001465 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.23554754257202148 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1980445384979248 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.20022273063659668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.20223355293273926 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14835762977600098 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1992201805114746 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24471473693847656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.28322744369506836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.5818662643432617 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 5.14295220375061 done /tmp/meepYM7cP9/test_set_eigenvectors-0: 25.28s /tmp/meepYM7cP9/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0050928592681884766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690054 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638006 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994748 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915676 (3.48814% change) linmin: converged after 5 iterations. iteration 6: trace = 5.704204927742774 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719287 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801683 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863861 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.63238951095019 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281851 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828863 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451508 (0.00632352% change) linmin: converged after 4 iterations. iteration 14: trace = 5.629707527279329 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 6 iterations. iteration 16: trace = 5.629334770611423 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179754779 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143345387 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210335247 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227212604 (0.00106561% change) linmin: converged after 4 iterations. iteration 21: trace = 5.628918234634898 (0.000657186% change) linmin: converged after 13 iterations. iteration 22: trace = 5.628892160266247 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918705998 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540675988 (0.000131075% change) linmin: converged after 6 iterations. iteration 25: trace = 5.628866521545568 (7.14021e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 5.628864944361773 (2.80196e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 5.628864428335515 (9.1675e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.628864254010919 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199205668 (9.73647e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 5.628864180871601 (3.25715e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355644 (1.1576e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803173 (4.53461e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678025 (1.99889e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 5.628864170196713 (8.55078e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964596 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778765 (3.30139e-09% change) linmin: converged after 12 iterations. iteration 37: trace = 5.628864169602526 (3.131e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 5.628864169405927 (3.4927e-09% change) linmin: converged after 9 iterations. iteration 39: trace = 5.628864169253099 (2.71508e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628864169153879 (1.76269e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 5.628864169097579 (1.00021e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061671 (6.37913e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.62886416903688 (4.40439e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.628864169022885 (2.4863e-10% change) linmin: converged after 5 iterations. iteration 45: trace = 5.628864169016389 (1.15408e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.31352710723876953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383808177 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054238222 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656916263 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656698282 (0.0219717% change) linmin: converged after 3 iterations. iteration 5: trace = 5.651455832958964 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354684 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221654 (0.00509164% change) linmin: converged after 5 iterations. iteration 8: trace = 5.650503338619168 (0.00301938% change) linmin: converged after 6 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 3 iterations. iteration 10: trace = 5.650387262434869 (0.000763755% change) linmin: converged after 4 iterations. iteration 11: trace = 5.650369556591794 (0.000313357% change) linmin: converged after 4 iterations. iteration 12: trace = 5.650362805816114 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400670214 (4.25662e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822551868 (1.02315e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.650359570380632 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721783 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358939 (7.49737e-07% change) linmin: converged after 15 iterations. iteration 18: trace = 5.650359402315163 (2.83943e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.650359397610368 (8.32654e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.650359395697522 (3.38535e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.650359394584378 (1.97004e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286108 (2.29768e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 5.650359391538194 (3.09346e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.65035938990169 (2.89628e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.650359388475219 (2.52457e-08% change) linmin: converged after 14 iterations. iteration 26: trace = 5.650359386380272 (3.70764e-08% change) large trace change predicted (9.57982e-08%) linmin: converged after 6 iterations. iteration 27: trace = 5.650359380967167 (9.58011e-08% change) near maximum in trace linmin: converged after 12 iterations. iteration 28: trace = 5.65029130912194 (0.00120474% change) linmin: converged after 7 iterations. iteration 29: trace = 5.650291234061909 (1.32843e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.650291159747921 (1.31522e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 5.650291086201616 (1.30164e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.650291013437279 (1.2878e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 5.650290941462908 (1.27382e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.650290870281232 (1.25979e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.650290799890623 (1.24579e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.650290730285771 (1.23188e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.650290661458452 (1.21812e-06% change) linmin: converged after 7 iterations. iteration 38: trace = 5.650290593398053 (1.20455e-06% change) linmin: converged after 15 iterations. iteration 39: trace = 5.650290526092048 (1.1912e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.650290459526456 (1.17809e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 5.650290393686173 (1.16525e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 5.650290328555217 (1.1527e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 5.650290264117083 (1.14044e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.650290200354844 (1.12848e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290137251378 (1.11682e-06% change) linmin: converged after 9 iterations. iteration 46: trace = 5.650290074789467 (1.10546e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.650290012951959 (1.09441e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289951721833 (1.08366e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289891082261 (1.07321e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 5.650289831016662 (1.06305e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.650289771508803 (1.05318e-06% change) linmin: converged after 6 iterations. iteration 52: trace = 5.650289712542765 (1.04359e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 5.650289654102977 (1.03428e-06% change) linmin: converged after 17 iterations. iteration 54: trace = 5.650289596174298 (1.02523e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.650289538735549 (1.01656e-06% change) linmin: converged after 18 iterations. iteration 56: trace = 5.65028948178523 (1.00792e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.650289425290975 (9.99847e-07% change) linmin: converged after 7 iterations. iteration 58: trace = 5.650289369263237 (9.91591e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 5.650289313676903 (9.83779e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 5.650289258515707 (9.76254e-07% change) linmin: converged after 7 iterations. iteration 61: trace = 5.650289203774422 (9.68823e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.65028914943757 (9.61665e-07% change) linmin: converged after 10 iterations. iteration 63: trace = 5.650289095493558 (9.54712e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 5.650289041921457 (9.4813e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 5.65028898872999 (9.41394e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 5.650288935898927 (9.35015e-07% change) linmin: converged after 13 iterations. iteration 67: trace = 5.650288883409756 (9.28964e-07% change) linmin: converged after 7 iterations. iteration 68: trace = 5.650288831261826 (9.22925e-07% change) linmin: converged after 8 iterations. iteration 69: trace = 5.650288779444876 (9.17067e-07% change) resetting CG direction... large trace change predicted (0.0219494%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030468293702 (0.0222723% change) linmin: converged after 3 iterations. iteration 71: trace = 5.64829136620188 (0.0130846% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952692809617 (0.00599621% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647730066485801 (0.00394179% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486452368881 (0.00431358% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157647966095 (0.00582231% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646836023572824 (0.00569549% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550485301955 (0.00505673% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220747932997 (0.0058398% change) large trace change predicted (0.0119218%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515259687648 (0.0124957% change) large trace change predicted (0.0250157%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058926472955 (0.0257996% change) linmin: converged after 10 iterations. iteration 81: trace = 5.642273446376459 (0.0316397% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640698255256122 (0.0279216% change) linmin: converged after 7 iterations. iteration 83: trace = 5.639845149544605 (0.0151253% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288483577501 (0.00987072% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902685900879 (0.00684148% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726995261628 (0.00311574% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638885026625 (0.0015626% change) linmin: converged after 5 iterations. iteration 88: trace = 5.638595387765385 (0.000771417% change) linmin: converged after 3 iterations. iteration 89: trace = 5.63857049670874 (0.000441442% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555869927401 (0.000259406% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546196966949 (0.00017155% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539566898372 (0.000117585% change) linmin: converged after 3 iterations. iteration 93: trace = 5.63853584120281 (6.60756e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 5.638534039131848 (3.19599e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 5.638532923217655 (1.97909e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.63853201375318 (1.61295e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531074937021 (1.665e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 5.638530027134964 (1.85829e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 5.638528499055526 (2.71007e-05% change) linmin: converged after 6 iterations. iteration 100: trace = 5.638526250349737 (3.98811e-05% change) linmin: converged after 4 iterations. iteration 101: trace = 5.638523966989695 (4.04957e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.6385216988416 (4.02259e-05% change) linmin: converged after 5 iterations. iteration 103: trace = 5.638518649900305 (5.40734e-05% change) linmin: converged after 4 iterations. iteration 104: trace = 5.63851666923112 (3.51275e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788362522 (1.56223e-05% change) linmin: converged after 4 iterations. iteration 106: trace = 5.638515475732303 (5.54455e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 5.63851535359939 (2.16605e-06% change) linmin: converged after 4 iterations. iteration 108: trace = 5.638515290971848 (1.11071e-06% change) linmin: converged after 6 iterations. iteration 109: trace = 5.638515251423739 (7.01392e-07% change) linmin: converged after 16 iterations. iteration 110: trace = 5.638515230513041 (3.70855e-07% change) linmin: converged after 2 iterations. iteration 111: trace = 5.6385152189832 (2.04484e-07% change) linmin: converged after 7 iterations. iteration 112: trace = 5.63851521453465 (7.88958e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 5.638515212759899 (3.14755e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 5.638515211748622 (1.79352e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 5.638515210948728 (1.41863e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 5.638515210027005 (1.63469e-08% change) linmin: converged after 4 iterations. iteration 117: trace = 5.638515209014515 (1.79567e-08% change) linmin: converged after 10 iterations. iteration 118: trace = 5.638515207797895 (2.1577e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 5.638515206519796 (2.26673e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.63851520504288 (2.61934e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202936349 (3.73597e-08% change) linmin: converged after 4 iterations. iteration 122: trace = 5.638515200860235 (3.68202e-08% change) linmin: converged after 6 iterations. iteration 123: trace = 5.63851519909181 (3.13633e-08% change) linmin: converged after 8 iterations. iteration 124: trace = 5.638515198026758 (1.88889e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197269305 (1.34336e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 5.638515196711155 (9.89888e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196251477 (8.15246e-09% change) linmin: converged after 8 iterations. iteration 128: trace = 5.638515195990945 (4.62058e-09% change) linmin: converged after 8 iterations. iteration 129: trace = 5.638515195870702 (2.13254e-09% change) linmin: converged after 8 iterations. iteration 130: trace = 5.638515195810788 (1.06258e-09% change) linmin: converged after 3 iterations. iteration 131: trace = 5.638515195782595 (5e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576966 (2.29412e-10% change) linmin: converged after 5 iterations. iteration 133: trace = 5.638515195763932 (1.01585e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 1.366684913635254 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836813777 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920319447 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913818451 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117723827 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090452 (0.00623453% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874338 (0.0015346% change) linmin: converged after 9 iterations. iteration 7: trace = 5.595198313937154 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956797 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684432 (7.71069e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.595180202268759 (3.23388e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.59517960404312 (1.06918e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.595179391571371 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.595179285473622 (4.58688e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.595179276623069 (1.58182e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689018 (5.24389e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904637 (1.40189e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.595179272581779 (5.77029e-09% change) linmin: converged after 11 iterations. iteration 19: trace = 5.595179272336526 (4.3833e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.595179272188355 (2.64818e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.595179272063362 (2.23395e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.59517927196455 (1.76601e-09% change) linmin: converged after 17 iterations. iteration 23: trace = 5.595179271878046 (1.54605e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843302 (6.20959e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.595179271827009 (2.91208e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.595179271819181 (1.39898e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.2115647792816162 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769399094 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264359311 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100766153 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954554049 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315722 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291432 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907684 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250994 (0.000133931% change) linmin: converged after 5 iterations. iteration 10: trace = 5.577903978777094 (3.43225e-05% change) linmin: converged after 12 iterations. iteration 11: trace = 5.57790346238493 (9.25782e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.577903351821988 (1.98216e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.577903319845028 (5.73279e-07% change) linmin: converged after 26 iterations. iteration 14: trace = 5.577903310566406 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418655 (5.64325e-08% change) linmin: converged after 12 iterations. iteration 16: trace = 5.57790330586165 (2.79138e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.577903305185303 (1.21255e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.577903304857366 (5.87921e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.577903304716055 (2.53341e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.577903304686389 (5.31849e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.577903304676372 (1.79581e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.1808643341064453 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984177758 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098157666 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607935736 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314419059 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452726608 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329847 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.59408706885172 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640523 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820709 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.59403506708577 (6.33306e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.594033390558401 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184891 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982707 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072586 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788909 (1.2564e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.594031455144973 (5.47797e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 5.594031432706858 (4.01108e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.594031422730694 (1.78336e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.594031418912031 (6.82632e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677416 (2.20702e-08% change) linmin: converged after 13 iterations. iteration 22: trace = 5.594031417255708 (7.53853e-09% change) linmin: converged after 23 iterations. iteration 23: trace = 5.594031417032638 (3.98765e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.594031416919612 (2.02048e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.59403141687714 (7.59234e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.594031416862822 (2.55957e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.21437835693359375 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023161 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639067469 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452943627 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770227 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073526 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507559706 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056389 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858954874 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947096 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879081736 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.640440099441649 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644369 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778243 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718165 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782468 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569713 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805507 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771831 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137831 (3.15153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 5.637416175196376 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.63741573868567 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.63741548882805 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 21 iterations. iteration 25: trace = 5.637415263728908 (1.61605e-06% change) linmin: converged after 23 iterations. iteration 26: trace = 5.637415208122752 (9.86377e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 5.637415147804327 (1.06997e-06% change) large trace change predicted (2.89726e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984467265 (2.89738e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.637414701465812 (5.02006e-06% change) linmin: converged after 13 iterations. iteration 30: trace = 5.637414479207225 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382458896 (1.71618e-06% change) linmin: converged after 5 iterations. iteration 32: trace = 5.637414352167748 (5.37323e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.637414342884079 (1.6468e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.637414340072562 (4.98725e-08% change) linmin: converged after 12 iterations. iteration 35: trace = 5.637414339312873 (1.34758e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 5.637414338914756 (7.06205e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.637414338639521 (4.88227e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.637414338456356 (3.2491e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 5.637414338381471 (1.32836e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 5.637414338347076 (6.10115e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 5.6374143383179 (5.17554e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.637414338273249 (7.92039e-10% change) linmin: converged after 13 iterations. iteration 43: trace = 5.637414338211488 (1.09556e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 5.637414338111083 (1.78105e-09% change) linmin: converged after 18 iterations. iteration 45: trace = 5.637414338017404 (1.66173e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.637414337962041 (9.82061e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 5.637414337944461 (3.11856e-10% change) linmin: converged after 9 iterations. iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.38677525520324707 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961209858 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403003084 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270341415 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887656381 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.52039248359838 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529984 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279448 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913019 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845697 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.51896543492103 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752473 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189399 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535173 (3.98746e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.518941629485345 (1.02203e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.518941443520309 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51894139822527 (8.2072e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.51894138307171 (2.74574e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.518941376509183 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239345 (4.11281e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.518941372978462 (2.28465e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.518941372520745 (8.29357e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.51894137229888 (4.02005e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 5.518941372163193 (2.45857e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.518941372061857 (1.83616e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.518941371930669 (2.37704e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.518941371759532 (3.1009e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614911 (2.62045e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.518941371516171 (1.78912e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.518941371440124 (1.37792e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 5.518941371369822 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.518941371330355 (7.15121e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.518941371316811 (2.45406e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.2742922306060791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069228532 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100369 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958259 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261594959 (0.0214305% change) linmin: converged after 3 iterations. iteration 5: trace = 5.342917059986682 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492332 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772835 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537944 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052343 (7.23916e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 5.342524762095743 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418491 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.342524475923854 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019504 (1.47952e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.3425244664443 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.34252446601954 (7.95054e-09% change) linmin: converged after 18 iterations. iteration 17: trace = 5.342524465855401 (3.07231e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.342524465750501 (1.96349e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692874 (1.07866e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.342524465655599 (6.97705e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.342524465621588 (6.36593e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.342524465595664 (4.85242e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.34252446557226 (4.38077e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.342524465547464 (4.64128e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.342524465528069 (3.63033e-10% change) linmin: converged after 15 iterations. iteration 26: trace = 5.342524465517735 (1.93428e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.21395611763000488 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851366042 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.20125099997999 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129169 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803618 (0.00667631% change) linmin: converged after 6 iterations. iteration 5: trace = 5.199636452166114 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.199588777495884 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860654868 (0.000383047% change) linmin: converged after 5 iterations. iteration 8: trace = 5.199559960602217 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513362 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338559 (1.6774e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.199556282069324 (3.1016e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.199556247771228 (6.59635e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.199556240158943 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716338 (2.77448e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.199556238427378 (5.5574e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.199556238339892 (1.68256e-09% change) linmin: converged after 15 iterations. iteration 17: trace = 5.199556238303388 (7.02062e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.19955623826938 (6.54063e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.199556238207707 (1.18611e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136203 (1.37521e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.199556238088184 (9.23511e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.19955623807294 (2.93175e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.1868274211883545 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636562061 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653694802 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041818844 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935807 (0.00355468% change) linmin: converged after 4 iterations. iteration 5: trace = 5.110110328941206 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675727 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.110090048386214 (8.46421e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.110087943959178 (4.11818e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.110087209667765 (1.43694e-05% change) linmin: converged after 19 iterations. iteration 10: trace = 5.110086882135972 (6.40951e-06% change) linmin: converged after 29 iterations. iteration 11: trace = 5.11008680116278 (1.58458e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.110086778559413 (4.42328e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.11008677237288 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914108 (2.85469e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602328 (6.10128e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66933e-09% change) linmin: converged after 13 iterations. iteration 17: trace = 5.110086770480931 (7.0629e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.110086770438304 (8.34178e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.110086770329216 (2.13476e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238313 (1.7789e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.110086770200718 (7.35698e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.110086770192776 (1.5542e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.20958614349365234 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.082968734459396 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009847005 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162832763 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208724 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284587 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273342 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.07982854705658 (3.57338e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.079827969475216 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733472 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883465 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437724 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.0798277757082 (1.91533e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842991 (7.60894e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756296 (2.13924e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533072 (4.39432e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.079827770466221 (1.316e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.079827770421267 (8.84956e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.079827770346472 (1.4724e-09% change) large trace change predicted (3.34424e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176591 (3.34423e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.079827770098357 (1.54008e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.079827770077139 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.1933906078338623 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.14643038681267 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363819 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320569 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400246 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442865 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.13979253351684 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.13978717670438 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.13978547394731 (3.31289e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 5.139784968056223 (2.84858e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.139784924164504 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516125 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150685 (4.60221e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.139784911632526 (1.00814e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523812 (2.11515e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.1397849114978 (5.06076e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.139784911491648 (1.19702e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.14445877075195312 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856601055 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434600713 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483632051 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253843 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.308110104171019 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200678 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774419 (0.000644248% change) linmin: converged after 6 iterations. iteration 8: trace = 5.307931944059677 (0.000267782% change) linmin: converged after 3 iterations. iteration 9: trace = 5.307927410039053 (8.54198e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.307925220166293 (4.12567e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.307924508322333 (1.3411e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430648 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022233 (8.30535e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763155 (2.37207e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.307924174428115 (6.31206e-09% change) linmin: converged after 17 iterations. iteration 18: trace = 5.307924174351109 (1.45079e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.307924174333355 (3.34477e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.16234731674194336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532699 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670154723 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928005754 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.521192314611162 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983861 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468542 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129566 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409325 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920189 (0.00265341% change) linmin: converged after 4 iterations. iteration 10: trace = 5.515731715125205 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343585 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907219 (0.000154857% change) linmin: converged after 3 iterations. iteration 13: trace = 5.515691983062538 (5.06708e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.515691259672616 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868783 (5.74368e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 18 iterations. iteration 17: trace = 5.515690808935375 (6.64545e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.515690790954505 (3.25995e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.515690782728353 (1.49141e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.5156907795232 (5.81097e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.51569077844038 (1.96316e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.515690778101872 (6.13718e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.515690777997051 (1.90042e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.51569077796538 (5.74192e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.515690777958355 (1.27373e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.21699786186218262 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390339643 (1.24468% change) linmin: converged after 6 iterations. iteration 2: trace = 5.6476272710025 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.632522083730581 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518819342 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.6225730091186 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744119 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490822013 (0.00597205% change) linmin: converged after 4 iterations. iteration 8: trace = 5.621208187044374 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602503575 (0.0032304% change) linmin: converged after 3 iterations. iteration 10: trace = 5.620814125076359 (0.00378012% change) linmin: converged after 7 iterations. iteration 11: trace = 5.62062988743376 (0.00327783% change) linmin: converged after 4 iterations. iteration 12: trace = 5.620459427819393 (0.0030328% change) linmin: converged after 7 iterations. iteration 13: trace = 5.62036787458806 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402055506 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079253239 (0.000272632% change) linmin: converged after 5 iterations. iteration 16: trace = 5.620311039976532 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265164774 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520931707 (1.32419e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.620308198035178 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374191 (2.43156e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 5.620308008166372 (9.46706e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.620307991490641 (2.96705e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134485 (1.30885e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.620307981733875 (4.27131e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.620307979992731 (3.09795e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 5.620307977675642 (4.12271e-08% change) linmin: converged after 12 iterations. iteration 27: trace = 5.620307974743189 (5.2176e-08% change) linmin: converged after 25 iterations. iteration 28: trace = 5.620307972553177 (3.8966e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72519e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 5.620307971162816 (7.48624e-09% change) linmin: converged after 14 iterations. iteration 31: trace = 5.620307970956896 (3.66387e-09% change) linmin: converged after 8 iterations. iteration 32: trace = 5.620307970850901 (1.88592e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 5.620307970806843 (7.83909e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 5.620307970792958 (2.47064e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.2976107597351074 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683447139 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.69013217511223 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561610348 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700192534 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569915775 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.66898719926361 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726510974 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425642517 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186201759 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953699151 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477910797 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718159335 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953640502 (0.0534701% change) linmin: converged after 6 iterations. iteration 14: trace = 5.656543771246547 (0.0462045% change) linmin: converged after 6 iterations. iteration 15: trace = 5.653314443450369 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.64382136340905 (0.0851002% change) linmin: converged after 5 iterations. iteration 18: trace = 5.638869397659225 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317550872 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.633934894998956 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468096913 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076526172 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240217539 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940343088 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098063129 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.63012261962082 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621853739 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051219762 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777063893 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361182908 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147465852 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226406036 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024992228 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733964292 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222971256 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867570204 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408060275 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62897900457247 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.62895246854367 (0.000471419% change) linmin: converged after 4 iterations. iteration 40: trace = 5.628932212763319 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703762922 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770133662 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295239233 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548977002 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125204436 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480396275 (6.47519e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 5.628873855273834 (4.66367e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 5.628871914588441 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.62887017345587 (3.09322e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 5.628868872043183 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579709 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350911 (1.28841e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 5.628866472395092 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.628866038918492 (7.70096e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.628865733610263 (5.42397e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 5.628865472822635 (4.63304e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 5.628865257040933 (3.83348e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067339544 (3.37015e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923855851 (2.54907e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 5.628864787380481 (2.42456e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 5.628864676735699 (1.96567e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.628864577622471 (1.7608e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491673314 (1.52694e-06% change) linmin: converged after 2 iterations. iteration 64: trace = 5.628864423558427 (1.2101e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369039819 (9.68554e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328352566 (7.22832e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294905815 (5.94201e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268956475 (4.61005e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 5.628864245242415 (4.21294e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 5.628864210815122 (6.11621e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185803895 (4.44339e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 5.628864176497 (1.65342e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.628864172329766 (7.40333e-08% change) linmin: converged after 13 iterations. iteration 74: trace = 5.628864170611541 (3.05252e-08% change) linmin: converged after 2 iterations. iteration 75: trace = 5.628864170125547 (8.63397e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899412 (4.01741e-09% change) linmin: converged after 10 iterations. iteration 77: trace = 5.628864169746183 (2.72219e-09% change) linmin: converged after 3 iterations. iteration 78: trace = 5.62886416956559 (3.20834e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 5.628864169372521 (3.42999e-09% change) linmin: converged after 12 iterations. iteration 80: trace = 5.628864169215215 (2.79462e-09% change) linmin: converged after 7 iterations. iteration 81: trace = 5.628864169115518 (1.77118e-09% change) linmin: converged after 6 iterations. iteration 82: trace = 5.628864169056966 (1.04021e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 5.628864169025804 (5.53606e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 5.628864169015136 (1.89522e-10% change) linmin: converged after 6 iterations. iteration 85: trace = 5.628864169011921 (5.712e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.5497608184814453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585584 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% total elapsed time for run: 5.131316184997559 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004443168640136719 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078474 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.60953779090269 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369743 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403813 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716676 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249221 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294311 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196533 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362643 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445939 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171114 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176239 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558819 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.4838691348752 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025639 (0.00110951% change) linmin: converged after 4 iterations. iteration 16: trace = 4.483805975020276 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715889 (0.000107795% change) linmin: converged after 3 iterations. iteration 18: trace = 4.483800147423097 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914428 (7.14815e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.483799489838405 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852839 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221835 (9.87179e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 4.483798337447185 (4.18785e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 4.483798287889884 (1.10525e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.48379827771194 (2.26994e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.48379827562259 (4.65978e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798275082743 (1.204e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 4.483798274908857 (3.87809e-09% change) linmin: converged after 15 iterations. iteration 29: trace = 4.48379827485738 (1.14807e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.4837982748355 (4.87965e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.48379827479505 (9.02144e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.483798274730371 (1.4425e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 4.483798274703624 (5.96517e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.483798274697118 (1.45118e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.21392083168029785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509364793 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.43252398877573 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.41341631617131 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019506292 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350058125 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733735445 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457686353 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753674171 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484599 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998275 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582743 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223626 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280718 (2.48273e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.398156022880025 (1.21506e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 4.39815575235615 (6.15085e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.3981556224991 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368086 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776388 (5.364e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.398155541734105 (2.51066e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009754 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105948 (4.32865e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748289 (8.13202e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692952 (1.25819e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.398155533670936 (5.00577e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 4.398155533656851 (3.20242e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.398155533649992 (1.55961e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.2118673324584961 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838449 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037746 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862876 (0.0125769% change) linmin: converged after 7 iterations. iteration 4: trace = 4.314511296930485 (0.00327244% change) linmin: converged after 16 iterations. iteration 5: trace = 4.314475376819534 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448445 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301329 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.314465863908676 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457113 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.314465855768227 (1.59669e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.314465855720843 (1.09827e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.314465855716319 (1.04845e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.10857152938842773 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869065 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762704 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461066 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922878 (0.00126456% change) linmin: converged after 6 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218786 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820414 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801437 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602304 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506426 (2.25258e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.256363888498843 (1.78163e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.1136484146118164 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891605 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314515 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317789 (0.0143588% change) linmin: converged after 4 iterations. iteration 4: trace = 4.22614266922581 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204369 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419119 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906933 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849789 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571846 (4.63151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.226095324437821 (3.17137e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.226095324430022 (1.84525e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.10497212409973145 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436597712 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957929 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.21830332395176 (0.0260571% change) linmin: converged after 4 iterations. iteration 4: trace = 4.217912996839663 (0.00925361% change) linmin: converged after 6 iterations. iteration 5: trace = 4.2178069626567 (0.00251393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.217779234764839 (0.000657403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.217772706280913 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251995 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111434 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564775 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377837 (4.43214e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362665 (3.59713e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.217772179355189 (1.77266e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.19805073738098145 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451161 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579899 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729061 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259354 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514315 (0.000307858% change) linmin: converged after 3 iterations. iteration 6: trace = 4.205423872193341 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220989 (9.98053e-07% change) linmin: converged after 13 iterations. iteration 8: trace = 4.205423828175204 (4.86463e-08% change) linmin: converged after 5 iterations. iteration 9: trace = 4.205423828042198 (3.16272e-09% change) linmin: converged after 5 iterations. iteration 10: trace = 4.205423828029007 (3.13672e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.14238786697387695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576803 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703085 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295249 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887838 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911323 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.182592321790138 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 4.182592281925405 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.18259228103248 (1.83096e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.18259228102394 (2.04176e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.0934288501739502 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921933 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845193 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.167978693502352 (0.0160192% change) linmin: converged after 6 iterations. iteration 4: trace = 4.1678332981875 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647445 (0.000484942% change) linmin: converged after 6 iterations. iteration 6: trace = 4.167811349625675 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608129 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546715 (1.69427e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.167811239290019 (3.53263e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.167811239280089 (2.38251e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.18250298500061035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659227 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398399 (0.038731% change) linmin: converged after 4 iterations. iteration 4: trace = 4.169126573577485 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733771 (0.00231195% change) linmin: converged after 4 iterations. iteration 6: trace = 4.169023804109909 (0.000153096% change) linmin: converged after 15 iterations. iteration 7: trace = 4.169023362478118 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272603 (9.16414e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.169023320812371 (8.29986e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.169023319376691 (3.44368e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.36592e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16902331868502 (2.93157e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.16902331866883 (3.88334e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.20145583152770996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230138833 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085977992 (0.127731% change) linmin: converged after 8 iterations. iteration 3: trace = 4.184065231776855 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111325 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.17870816212099 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 4 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 28 iterations. iteration 8: trace = 4.178673127808474 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930172 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680718 (2.01618e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.178672966328761 (4.1525e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170062 (2.77289e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096562 (1.75892e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089345 (1.72718e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.1330564022064209 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590649381948 (1.05654% change) linmin: converged after 9 iterations. iteration 2: trace = 4.183207288836179 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.15660786144675 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125802194274 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.14166134336903 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875801526 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445195259 (0.00179738% change) linmin: converged after 6 iterations. iteration 8: trace = 4.141013513514483 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.14101295478792 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733243 (5.72456e-06% change) linmin: converged after 21 iterations. iteration 11: trace = 4.141012607970377 (2.65063e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.141012579996683 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178471 (4.39074e-08% change) linmin: converged after 14 iterations. iteration 14: trace = 4.141012578052829 (3.0341e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041205 (2.80694e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.141012578036994 (1.01687e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.13511109352111816 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.14756404349616 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403505422 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545649 (0.0160227% change) linmin: converged after 11 iterations. iteration 4: trace = 4.141348425305289 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051612 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855832 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897512 (4.72872e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.1413304057217 (4.24531e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701248 (4.93853e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.1202390193939209 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.21918399878927 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 9 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 6 iterations. iteration 5: trace = 4.213522375060024 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044295 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642286 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.21352137603991 (1.42963e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.213521375952432 (2.07614e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.213521375942172 (2.43507e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.10216426849365234 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252167 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771339 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079406 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185593 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323273 (0.00123443% change) linmin: converged after 4 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208688 (5.42823e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.345426131439355 (8.48638e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.345426090356744 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357085 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96443e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.345426086022096 (7.44566e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.11397528648376465 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222236 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170424 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449696 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153532 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712891 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858126 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436565 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992154 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539728 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.48388337091092 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156653 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625654 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.483799885096504 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938857 (6.82808e-06% change) linmin: converged after 14 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289091 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128212 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624275 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127854 (1.44887e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611406 (3.38206e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.483798754481999 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451544 (6.79218e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798754422126 (6.56101e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798754387683 (7.68158e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798754356928 (6.85913e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.483798754303916 (1.1823e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.483798754278567 (5.65358e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.483798754271721 (1.52685e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.483798754265765 (1.32837e-10% change) large trace change predicted (4.81956e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.483798754244154 (4.81983e-10% change) large trace change predicted (2.68933e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123574 (2.68922e-09% change) large trace change predicted (9.03484e-09%) linmin: converged after 4 iterations. iteration 34: trace = 4.483798753718466 (9.03495e-09% change) large trace change predicted (3.80028e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.483798752014515 (3.80024e-08% change) large trace change predicted (1.44438e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538726 (1.44426e-07% change) large trace change predicted (4.6333e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.483798724778243 (4.63011e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696726634 (6.25622e-07% change) linmin: converged after 6 iterations. iteration 39: trace = 4.483798668084273 (6.38797e-07% change) linmin: converged after 8 iterations. iteration 40: trace = 4.483798643147862 (5.56145e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 4.483798621877794 (4.74376e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 6 iterations. iteration 42: trace = 4.483798561199338 (1.35328e-06% change) large trace change predicted (5.83358e-06%) linmin: converged after 7 iterations. iteration 43: trace = 4.483798313962898 (5.514e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 4.483798101265787 (4.74368e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.483798058281279 (9.58663e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 4.483798047910916 (2.31285e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.483798039714686 (1.82797e-07% change) linmin: converged after 10 iterations. iteration 48: trace = 4.483798036699413 (6.72482e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.483798033244149 (7.70611e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.483798027631968 (1.25166e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 4.48379802531334 (5.17112e-08% change) linmin: converged after 20 iterations. iteration 52: trace = 4.483798024489694 (1.83694e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.483798024240027 (5.5682e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.483798024202096 (8.45947e-10% change) linmin: converged after 12 iterations. iteration 55: trace = 4.4837980241927 (2.09555e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.483798024185351 (1.63916e-10% change) large trace change predicted (3.44422e-10%) linmin: converged after 3 iterations. iteration 57: trace = 4.483798024169907 (3.44432e-10% change) linmin: converged after 2 iterations. iteration 58: trace = 4.483798024159173 (2.39407e-10% change) linmin: converged after 6 iterations. iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.4030263423919678 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889757 at Vector3<0.0, 0.0, 0.0> to 0.720091820456399 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480827 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005068 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526799 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822734 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330749 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981636 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% total elapsed time for run: 2.585867166519165 done /tmp/meepYM7cP9/test_sq_rods-0: 7.72s /tmp/meepYM7cP9/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.01024317741394043 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390217933 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031214 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897934786 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907767 (6.90243% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2726168891851904 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210206 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716452751 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472876 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135484 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972941 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755898 (0.046255% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2687078756607252 (0.014923% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2686863756603578 (0.00800157% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2686684185721623 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148080031 (0.00424464% change) linmin: converged after 17 iterations. iteration 16: trace = 0.268652805217613 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505034628 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755889 (0.000193421% change) linmin: converged after 6 iterations. iteration 19: trace = 0.2686501381175699 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710278 (0.000107667% change) linmin: converged after 10 iterations. iteration 21: trace = 0.2686495704063583 (0.000103653% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2686494341954686 (5.07021e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830081793 (1.90536e-05% change) linmin: converged after 8 iterations. iteration 24: trace = 0.2686493569011658 (9.71788e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 0.2686493401670464 (6.22898e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250441 (5.26411e-06% change) linmin: converged after 14 iterations. iteration 27: trace = 0.2686493177550091 (3.07838e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 0.2686493141307851 (1.34905e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2686493133317617 (2.97422e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2686493131406507 (7.11377e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 0.2686493130940811 (1.73347e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 0.2686493130827958 (4.20076e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763734 (2.39063e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130709365 (2.02376e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.2686493130667552 (1.55642e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2686493130652058 (5.76726e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.2686493130645825 (2.32046e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.2686493130639919 (2.19814e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635764 (1.54684e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631483 (1.59333e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.7670292854309082 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131378938 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019352 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640543 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602481 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521678972 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178495 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319422 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.606940339078468 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212686 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656933 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060074 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452269 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828906 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207727 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585751 (2.20243e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 0.6068839789046578 (1.03733e-05% change) linmin: converged after 19 iterations. iteration 17: trace = 0.6068839547900545 (3.97351e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 0.606883945245713 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137261 (4.83122e-07% change) linmin: converged after 20 iterations. iteration 20: trace = 0.6068839407794877 (2.52806e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027495 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340793 (6.07481e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282135 (1.74442e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969785 (5.14679e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.6068839394888982 (1.33144e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859072 (4.92836e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.6068839394838377 (3.41015e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 0.6068839394826209 (2.005e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.6068839394820108 (1.00525e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.6967775821685791 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 21 iterations. iteration 1: trace = 1.264470565178877 (5.39004% change) linmin: converged after 7 iterations. iteration 2: trace = 1.235883601252425 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577504285 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286461312 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361840383 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357026515 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436585433 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468525546 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294329952 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238046542 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296099763 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466956222 (0.00611277% change) linmin: converged after 4 iterations. iteration 13: trace = 1.20771981883369 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829505016 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669037 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394522 (0.000124391% change) linmin: converged after 3 iterations. iteration 17: trace = 1.20770478657245 (3.83224e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.207704628833406 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628058 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.20770453578298 (2.55403e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.20770451896597 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350381 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33351e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.207704491987183 (4.55946e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731018 (2.69616e-07% change) linmin: converged after 28 iterations. iteration 26: trace = 1.207704487630348 (9.11373e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187941 (3.66321e-08% change) linmin: converged after 22 iterations. iteration 28: trace = 1.207704487019389 (1.39564e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 1.207704486953286 (5.4734e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.207704486927153 (2.16387e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.207704486920015 (5.91099e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917501 (2.08107e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.7844521999359131 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.937534840488701 (4.15315% change) linmin: converged after 9 iterations. iteration 2: trace = 1.902810987196174 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.892740288337234 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677874298 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637823674 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862615 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.88374243132957 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285428812 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588672 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159753 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357727 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103126 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261362 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.88319388727241 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554692 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574134 (1.55045e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.883192794589782 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.88319275915188 (1.8818e-06% change) linmin: converged after 18 iterations. iteration 19: trace = 1.88319274804275 (5.89909e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 1.883192744742946 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542449 (6.3748e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093152 (2.38583e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851258 (3.18212e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827557 (1.25856e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.883192742817959 (5.09625e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 1.8831927428148 (1.67784e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.6147840023040771 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 8 iterations. iteration 1: trace = 2.691331240744543 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720196588 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792282935 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156456098 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929163081 (0.618196% change) linmin: converged after 6 iterations. iteration 6: trace = 2.625855470408069 (0.538767% change) linmin: converged after 7 iterations. iteration 7: trace = 2.618595095218605 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.61486394842613 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559982935209 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632655308 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668710099 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524589415 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071025088 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149644 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488467 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153520022 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282875 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130106353 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970478 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033706994 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019423 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624403 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.60411450033653 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417369 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544148 (7.768e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 2.604108092320789 (5.12737e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 2.604107084206202 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.604106651525088 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464837 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639458 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.60410613975316 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195845 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604111 (1.86597e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 2.604105990411353 (1.35143e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 2.604105970704682 (7.56754e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023471 (3.33366e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.6041059578616 (1.5982e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505164 (9.04892e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483296 (7.76415e-08% change) linmin: converged after 13 iterations. iteration 40: trace = 2.604105952144361 (5.14163e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 2.604105951136476 (3.87037e-08% change) linmin: converged after 19 iterations. iteration 42: trace = 2.604105950573165 (2.16316e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 2.604105950242607 (1.26937e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 2.604105950072069 (6.54884e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 2.60410594997155 (3.86001e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909488 (2.38325e-09% change) linmin: converged after 5 iterations. iteration 47: trace = 2.60410594987232 (1.42727e-09% change) linmin: converged after 7 iterations. iteration 48: trace = 2.604105949849335 (8.82651e-10% change) linmin: converged after 10 iterations. iteration 49: trace = 2.604105949833428 (6.10837e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821816 (4.4593e-10% change) linmin: converged after 13 iterations. iteration 51: trace = 2.604105949814572 (2.78175e-10% change) linmin: converged after 15 iterations. iteration 52: trace = 2.604105949811256 (1.27304e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 2.3251848220825195 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069799636 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355655957 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549844526 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698874345 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158375775 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784713104 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703718 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.17134496696653 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607468 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397914 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524595 (0.000760798% change) linmin: converged after 3 iterations. iteration 12: trace = 3.170977067782426 (0.000242409% change) linmin: converged after 4 iterations. iteration 13: trace = 3.170972828710278 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290356 (4.99664e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 3.170970553226566 (2.17934e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 3.170970265011879 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164110032 (3.18205e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317424 (1.34951e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 3.170970104220449 (5.39172e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225263 (3.15209e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061036 (1.94396e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145857 (9.19334e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948763 (3.77517e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31005e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 3.170970083397897 (4.27167e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 3.17097008335296 (1.41712e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 3.17097008333502 (5.65753e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 3.170970083326961 (2.54174e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.6946964263916016 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766635764 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297972006 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008004307 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047493 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312591 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.66638081693654 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636337 (0.00444774% change) linmin: converged after 5 iterations. iteration 8: trace = 3.666150582978095 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642377 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925772 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.666116142667214 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266006 (1.81228e-05% change) linmin: converged after 18 iterations. iteration 13: trace = 3.66611525803746 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.66611519051509 (1.8418e-06% change) linmin: converged after 15 iterations. iteration 15: trace = 3.666115174200301 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279941 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850357 (3.89945e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 3.666115167237356 (1.67207e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 3.666115166888858 (9.50592e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 3.666115166571144 (8.66623e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 4 iterations. iteration 21: trace = 3.666115165884804 (1.87212e-08% change) large trace change predicted (4.39602e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.66611516427318 (4.396e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161715032 (6.97782e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.66611515930568 (6.57195e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 3.666115157581619 (4.70269e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.66611515637112 (3.30186e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 3.666115155743588 (1.71171e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 3.666115155488844 (6.94863e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416274 (1.97947e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 3.66611515539475 (5.8711e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388822 (1.61689e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.8725800514221191 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358292035 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438932 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16577641413557 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.164897072709951 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358474 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568772 (0.00460398% change) linmin: converged after 4 iterations. iteration 7: trace = 4.164369177257903 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357556 (0.00059159% change) linmin: converged after 4 iterations. iteration 9: trace = 4.164337522751026 (0.000168541% change) linmin: converged after 5 iterations. iteration 10: trace = 4.164335843810516 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889441 (1.2269e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.164335230990685 (2.44694e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.16433520253919 (6.83218e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 4.16433518775648 (3.54984e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 4.164335171932652 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.16433512934348 (1.02271e-06% change) large trace change predicted (8.89366e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759041199 (8.89223e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 18: trace = 4.163167577853347 (0.028032% change) linmin: converged after 6 iterations. iteration 19: trace = 4.163166867716649 (1.70576e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 4.163166155173582 (1.71154e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165440428856 (1.71683e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.163164723697292 (1.7216e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.16316400516715 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163285001877 (1.72985e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.163162563341739 (1.73344e-05% change) linmin: converged after 9 iterations. iteration 26: trace = 4.163161840305374 (1.73675e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161115991569 (1.73982e-05% change) linmin: converged after 20 iterations. iteration 28: trace = 4.163160390480732 (1.74269e-05% change) linmin: converged after 8 iterations. iteration 29: trace = 4.163159663823327 (1.74545e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.163158936093581 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158207312479 (1.75055e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157477501239 (1.75302e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.1631567466695 (1.75547e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.163156014816309 (1.75793e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.163155281924494 (1.76042e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.163154547988507 (1.76293e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 4.163153812969774 (1.76553e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.163153076844683 (1.76819e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.163152339568214 (1.77096e-05% change) linmin: converged after 10 iterations. iteration 40: trace = 4.163151601094802 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150861366489 (1.77685e-05% change) linmin: converged after 18 iterations. iteration 42: trace = 4.163150120337079 (1.77997e-05% change) linmin: converged after 9 iterations. iteration 43: trace = 4.163149377947414 (1.78324e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.163148634138187 (1.78665e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 4.163147888839058 (1.79023e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 4.163147141981497 (1.79397e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.163146393494435 (1.79789e-05% change) linmin: converged after 16 iterations. iteration 48: trace = 4.163145643304694 (1.80198e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.163144891337117 (1.80625e-05% change) linmin: converged after 7 iterations. iteration 50: trace = 4.163144137514846 (1.8107e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.163143381759674 (1.81535e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142623991929 (1.82018e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 4.163141864130939 (1.82521e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.163141102094985 (1.83043e-05% change) linmin: converged after 11 iterations. iteration 55: trace = 4.163140337801628 (1.83586e-05% change) linmin: converged after 11 iterations. iteration 56: trace = 4.163139571167647 (1.84148e-05% change) linmin: converged after 12 iterations. iteration 57: trace = 4.163138802109344 (1.8473e-05% change) linmin: converged after 9 iterations. iteration 58: trace = 4.163138030542482 (1.85333e-05% change) linmin: converged after 6 iterations. iteration 59: trace = 4.16313725638252 (1.85956e-05% change) linmin: converged after 17 iterations. iteration 60: trace = 4.163136479544573 (1.86599e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 4.163135699943616 (1.87263e-05% change) linmin: converged after 10 iterations. iteration 62: trace = 4.163134917494516 (1.87947e-05% change) linmin: converged after 10 iterations. iteration 63: trace = 4.163134132112027 (1.88652e-05% change) linmin: converged after 8 iterations. iteration 64: trace = 4.163133343710971 (1.89377e-05% change) linmin: converged after 7 iterations. iteration 65: trace = 4.163132552206249 (1.90122e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.16313175751296 (1.90888e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.163130959546328 (1.91675e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.163130158221916 (1.92481e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 4.163129353455564 (1.93308e-05% change) resetting CG direction... large trace change predicted (0.200481%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754245510407 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.15173076788249 (0.072798% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327717100708 (0.0338001% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564335379193 (0.018395% change) linmin: converged after 5 iterations. iteration 74: trace = 4.149045201641229 (0.0125113% change) linmin: converged after 7 iterations. iteration 75: trace = 4.148540725452632 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913016108395 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.146963344459174 (0.0228978% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419666151612 (0.0372312% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768429829017 (0.0398407% change) linmin: converged after 4 iterations. iteration 80: trace = 4.14281362387139 (0.0230446% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427720615804 (0.00931544% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309327545611 (0.0028581% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291880828 (0.000942369% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228294336 (0.00026709% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098503172 (0.00012384% change) linmin: converged after 4 iterations. iteration 86: trace = 4.14225182546923 (5.48743e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854513584 (2.34403e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.14225045821334 (9.56727e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 4.142250015988236 (1.0676e-05% change) linmin: converged after 4 iterations. iteration 90: trace = 4.142249199717005 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059500087 (2.75265e-05% change) linmin: converged after 6 iterations. iteration 92: trace = 4.142246315184003 (4.21104e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 4.142245417573851 (2.16696e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181152836 (5.70756e-06% change) linmin: converged after 7 iterations. iteration 95: trace = 4.142245107963932 (1.76689e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102365 (4.79488e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893739 (2.70593e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669429 (1.26123e-07% change) linmin: converged after 18 iterations. iteration 99: trace = 4.14224506975574 (4.61993e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000498 (1.82327e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068687292 (7.56125e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.142245068426465 (6.29675e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.142245068025394 (9.68246e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241641 (1.8921e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287526 (2.30338e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 4.142245065572538 (1.72609e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259723 (7.55184e-09% change) linmin: converged after 4 iterations. iteration 108: trace = 4.142245065162617 (2.34427e-09% change) linmin: converged after 2 iterations. iteration 109: trace = 4.142245065142509 (4.85446e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 4.142245065136625 (1.42053e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 4.142245065134212 (5.82578e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 3.398040533065796 zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168 yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.66576646587618 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826913 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.65889136343898 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658710963539905 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855449 (0.000513549% change) linmin: converged after 5 iterations. iteration 6: trace = 4.658683256679821 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128453 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170777 (3.60526e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.658682176904296 (1.03605e-06% change) linmin: converged after 25 iterations. iteration 10: trace = 4.658682160894794 (3.43649e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.658682157651022 (6.96285e-08% change) linmin: converged after 17 iterations. iteration 12: trace = 4.658682156823374 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624822 (4.26196e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.658682156534677 (1.93498e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65868215647283 (1.32757e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406849 (1.4163e-09% change) linmin: converged after 12 iterations. iteration 17: trace = 4.658682156300642 (2.27978e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 4.658682156170636 (2.7906e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.65868215606024 (2.36969e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016951 (9.2921e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 4.658682156004993 (2.56691e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 4.658682156001969 (6.48973e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 1.154212474822998 zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977 yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684409 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.22647648399617 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.22599683203071 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241165 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252779 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954253 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024463 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503557 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532268 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078974 (6.60813e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82468e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909173 (4.13826e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.22582194183999 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.22582194182071 (3.68931e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 5.225821941816028 (8.96027e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.41605424880981445 zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547 yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654945 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596236 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013058 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146363 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450399 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.84497115165891 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856531 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036914 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184173 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596864 (1.77272e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13527e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.84497031125801 (3.44256e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 5.844970311254003 (6.85626e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.7435569763183594 zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846 yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 12.482426404953003 done /tmp/meepYM7cP9/test_strip-0: 12.49s /tmp/meepYM7cP9/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.003364086151123047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8360340595245361 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.8395707607269287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.30002379417419434 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.36132001876831055 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5925650596618652 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.6620538234710693 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.5849931240081787 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.7784445285797119 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5594537258148193 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5011022090911865 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.6281528472900391 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.48272109031677246 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3327469825744629 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6475138664245605 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7548840045928955 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.2613897323608398 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 11.133425235748291 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepYM7cP9/test_subpixel_averaging-0-epsilon.h5... /tmp/meepYM7cP9/test_subpixel_averaging-0: 11.19s /tmp/meepYM7cP9/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.2375195026397705 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579247 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233743 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397523720697594 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543338 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370426 (3.67554% change) linmin: converged after 8 iterations. iteration 6: trace = 2.048480958527553 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743746898 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675579469 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177313777 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.04046661825746 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065978462 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.04035411128717 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825733 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970399 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622544 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340868 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845975 (4.68035e-06% change) linmin: converged after 16 iterations. iteration 18: trace = 2.040335672642782 (1.8724e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 2.040335654413311 (8.93455e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 2.040335648243751 (3.0238e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040335646291804 (9.56679e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.040335645616527 (3.30964e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 2.040335645457562 (7.79111e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040335645416267 (2.02393e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.04033564540416 (5.93393e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.040335645401662 (1.22453e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.04033564540094 (3.53907e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 26.753764152526855 total elapsed time for run: 26.991519927978516 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.12117457389831543 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965929 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771011 (22.0544% change) linmin: converged after 7 iterations. iteration 4: trace = 2.981724017015067 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662621 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471263 (4.77209% change) linmin: converged after 5 iterations. iteration 7: trace = 2.552598023165622 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499992242115593 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.481050506315762 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473183610582626 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990919 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895059 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620014 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373043 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297645 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 2.47008672638708 (4.93464e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470086678531696 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747163 (1.28678e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 2.470086621328254 (1.02907e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 2.470086599230556 (8.94612e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12577e-07% change) linmin: converged after 7 iterations. iteration 23: trace = 2.470086560435123 (7.58034e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 2.470086542626183 (7.20984e-07% change) linmin: converged after 5 iterations. iteration 25: trace = 2.470086525398654 (6.97446e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.470086508443809 (6.86407e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 2.470086491432143 (6.88707e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 2.47008647397101 (7.06904e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 2.470086455551511 (7.45703e-07% change) linmin: converged after 5 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470086412632984 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334097 (1.10518e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.47008635057863 (1.40705e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 2.470086303711516 (1.89739e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 2.470086256803579 (1.89904e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 2.470086237769363 (7.70589e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.470086227711356 (4.07193e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.470086220769943 (2.81019e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 2.470086215312814 (2.20929e-07% change) linmin: converged after 5 iterations. iteration 40: trace = 2.47008621070389 (1.8659e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 2.470086206637609 (1.64621e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 2.470086202945004 (1.49493e-07% change) linmin: converged after 6 iterations. iteration 43: trace = 2.470086199523805 (1.38505e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 2.470086196306478 (1.30252e-07% change) linmin: converged after 7 iterations. iteration 45: trace = 2.470086193246965 (1.23863e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 2.47008619031146 (1.18842e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 2.470086187474285 (1.14861e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 2.470086184715303 (1.11696e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 2.470086182017748 (1.09209e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 2.4700861793676 (1.0729e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752158 (1.05885e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 2.470086174160272 (1.04931e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580697 (1.04433e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 2.47008616900311 (1.04352e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 2.470086166416666 (1.04711e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 2.470086163810144 (1.05524e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 2.470086161171722 (1.06815e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488299 (1.08637e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745301 (1.11049e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 2.470086152925971 (1.14139e-07% change) linmin: converged after 9 iterations. iteration 61: trace = 2.470086150010644 (1.18025e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 2.470086146975617 (1.22871e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470086143792007 (1.28887e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 2.470086140422467 (1.36414e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818574 (1.45901e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 2.470086132913965 (1.58076e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 2.470086128613795 (1.7409e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 2.470086123775036 (1.95894e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 2.470086118170339 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08617e-06%) linmin: converged after 6 iterations. iteration 70: trace = 2.4700859924031 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449085 (3.03447e-06% change) linmin: converged after 9 iterations. iteration 72: trace = 2.470085857051608 (2.44516e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 2.470085794433866 (2.53504e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 2.47008568465571 (4.44431e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666271439 (7.44277e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659656401 (2.67806e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 2.470085656851762 (1.13544e-07% change) linmin: converged after 11 iterations. iteration 78: trace = 2.470085655578595 (5.15434e-08% change) linmin: converged after 13 iterations. iteration 79: trace = 2.470085654979452 (2.42559e-08% change) linmin: converged after 8 iterations. iteration 80: trace = 2.470085654691839 (1.16438e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 2.470085654552126 (5.65621e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.470085654484016 (2.75741e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654450713 (1.34822e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.470085654434439 (6.58847e-10% change) linmin: converged after 4 iterations. iteration 85: trace = 2.470085654426459 (3.23059e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 2.470085654422856 (1.45861e-10% change) linmin: converged after 3 iterations. iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 58.13890218734741 total elapsed time for run: 58.26033115386963 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.25961947441101074 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556455 (194.149% change) linmin: converged after 12 iterations. iteration 2: trace = 3.363324203114518 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763886 (19.947% change) linmin: converged after 7 iterations. iteration 4: trace = 2.542376250784825 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306857 (3.2827% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396838326976526 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615576 (2.28738% change) linmin: converged after 5 iterations. iteration 8: trace = 2.31389728125012 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300812929609132 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307679614 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109431983 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222392094 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668029893 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588994 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338955 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.293694194409696 (0.00280739% change) linmin: converged after 11 iterations. iteration 17: trace = 2.293618199025478 (0.00331329% change) linmin: converged after 4 iterations. iteration 18: trace = 2.293528069880244 (0.00392964% change) linmin: converged after 5 iterations. iteration 19: trace = 2.293451007229581 (0.00336006% change) linmin: converged after 6 iterations. iteration 20: trace = 2.29340643253423 (0.00194358% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293384561761906 (0.000953642% change) linmin: converged after 4 iterations. iteration 22: trace = 2.293373743492525 (0.000471717% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474412943 (0.000142545% change) linmin: converged after 4 iterations. iteration 24: trace = 2.293369520041892 (4.16144e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 2.293369112325264 (1.77781e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.293368934280699 (7.76345e-06% change) linmin: converged after 15 iterations. iteration 27: trace = 2.293368844736082 (3.9045e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 2.29336882107163 (1.03186e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820579976 (2.14381e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 2.293368820562555 (7.59613e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 20.270532369613647 total elapsed time for run: 20.530481100082397 done /tmp/meepYM7cP9/test_symmetry_overlap-0: 107.84s /tmp/meepYM7cP9/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.007027864456176758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972896 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652264 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223161 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935817 (1.62145% change) linmin: converged after 7 iterations. iteration 7: trace = 4.525096086376154 (1.06913% change) linmin: converged after 7 iterations. iteration 8: trace = 4.490878663187896 (0.75904% change) linmin: converged after 9 iterations. iteration 9: trace = 4.471972673158289 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502802 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855679 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636298 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858802 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.45362856803677 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637681 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.45312419833384 (0.00101179% change) linmin: converged after 4 iterations. iteration 18: trace = 4.453097708544562 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036353 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 8 iterations. iteration 20: trace = 4.452989908418393 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 11 iterations. iteration 21: trace = 4.452831698851194 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931161866 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091443117 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.452296186459317 (0.0033444% change) linmin: converged after 5 iterations. iteration 25: trace = 4.45214480792432 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.452028010939461 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702506442 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340678137 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421811336 (0.000110488% change) linmin: converged after 4 iterations. iteration 30: trace = 4.451951355109325 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388859546 (2.1704e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 4.451949935125477 (1.01918e-05% change) linmin: converged after 14 iterations. iteration 33: trace = 4.45194972165554 (4.79498e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638045011 (1.87807e-06% change) linmin: converged after 4 iterations. iteration 35: trace = 4.451949603091682 (7.85124e-07% change) linmin: converged after 6 iterations. iteration 36: trace = 4.451949587125897 (3.58625e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 4.451949578415249 (1.95659e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573498261 (1.10446e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787714 (6.08845e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569044144 (3.91642e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566781069 (5.08333e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562368261 (9.91208e-08% change) large trace change predicted (2.08754e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074643 (2.08754e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 4.451949540843133 (2.74745e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 4.451949529999723 (2.43565e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238113 (1.5188e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 4.451949519159018 (9.16249e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.451949516240802 (6.55492e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 4.451949514432187 (4.06252e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.45194951368181 (1.6855e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.451949513453068 (5.13803e-09% change) linmin: converged after 9 iterations. iteration 52: trace = 4.451949513392954 (1.35028e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373073 (4.46568e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.451949513363684 (2.10895e-10% change) linmin: converged after 5 iterations. iteration 55: trace = 4.451949513358432 (1.17966e-10% change) linmin: converged after 15 iterations. iteration 56: trace = 4.451949513355893 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.8883669376373291 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467108932 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557613261 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947812556 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142654912 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419469301 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.46626734957484 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292089019 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095642135 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970967649 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380125286 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568880448 (0.0378343% change) linmin: converged after 6 iterations. iteration 12: trace = 4.460811970312608 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283500496 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661375987 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458964421206439 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960321749 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092725232 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032331692 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161072777 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.45889701734218 (4.80776e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.458895960746618 (2.36963e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.458895419244479 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.45889508627689 (7.46749e-06% change) linmin: converged after 6 iterations. iteration 24: trace = 4.458894672869514 (9.27152e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966779284 (1.58355e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458892812033712 (2.58976e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.458891509286135 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613544 (2.32271e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458889874545141 (1.34354e-05% change) linmin: converged after 6 iterations. iteration 30: trace = 4.458889622685401 (5.64849e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435814 (2.1586e-06% change) linmin: converged after 16 iterations. iteration 32: trace = 4.458889488492766 (8.50953e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 4.458889473720185 (3.31306e-07% change) linmin: converged after 22 iterations. iteration 34: trace = 4.458889468163909 (1.24611e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 4.458889466116761 (4.59116e-08% change) linmin: converged after 12 iterations. iteration 36: trace = 4.458889465242297 (1.96117e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 4.458889464752254 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.458889464463208 (6.48245e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 4.458889464280381 (4.10028e-09% change) linmin: converged after 9 iterations. iteration 40: trace = 4.458889464100642 (4.03102e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 4.458889463833446 (5.99245e-09% change) linmin: converged after 9 iterations. iteration 42: trace = 4.458889463451237 (8.57182e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 4.458889462992349 (1.02916e-08% change) linmin: converged after 10 iterations. iteration 44: trace = 4.458889462497355 (1.11013e-08% change) linmin: converged after 7 iterations. iteration 45: trace = 4.458889462139591 (8.02362e-09% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458889461932948 (4.6344e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 4.458889461821263 (2.50477e-09% change) linmin: converged after 15 iterations. iteration 48: trace = 4.458889461773397 (1.07349e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.458889461754989 (4.12847e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749082 (1.32483e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747205 (4.20894e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 1.3952207565307617 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134810435 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356469138 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723197324 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838961172 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052226116 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886541759 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042620977 (0.0027408% change) linmin: converged after 5 iterations. iteration 8: trace = 4.481900761944479 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566983678 (0.00181164% change) linmin: converged after 11 iterations. iteration 10: trace = 4.481727172835286 (0.00206155% change) linmin: converged after 5 iterations. iteration 11: trace = 4.481640274020497 (0.00193898% change) linmin: converged after 5 iterations. iteration 12: trace = 4.481586984826245 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482783 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049639 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259469 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 4.481554758617261 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435285 (1.8561e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.481554649662213 (5.75092e-07% change) linmin: converged after 20 iterations. iteration 20: trace = 4.481554642967496 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848132 (4.72908e-08% change) linmin: converged after 26 iterations. iteration 22: trace = 4.481554640163115 (1.52853e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.481554639855192 (6.87089e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686864 (3.75603e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.481554639614042 (1.62492e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.481554639589966 (5.37221e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.4815546395829 (1.57656e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580312 (5.77512e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.42415904998779297 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.543019728981382 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824323 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322887141 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374426 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372581668 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483914038 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349741 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534256408390616 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.534250296428544 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094429912 (7.06181e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.534244850399139 (4.94907e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.534242751424729 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054217 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109208 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207023 (9.08426e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 4.53423965965363 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917928 (3.63315e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.534239415265824 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667379 (7.85103e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364448 (2.05171e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024672 (5.16024e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.534239367497577 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336919 (3.54322e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 4.534239367284073 (1.16548e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 4.534239367267453 (3.66535e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 4.534239367261494 (1.31437e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.534239367259114 (5.24769e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.43570756912231445 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992370209 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347481714 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696476134 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813620799 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.607863233753939 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544209546 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227313989 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349688435 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971210599 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359308265 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156947 (0.000136765% change) linmin: converged after 6 iterations. iteration 12: trace = 4.607276056852193 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045313 (3.73064e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.607273686828396 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.607273491056637 (4.24919e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.607273423326331 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454911 (5.83239e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.607273383999481 (2.70343e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222249 (2.33918e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.607273363837924 (2.03685e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409602 (1.6123e-07% change) linmin: converged after 32 iterations. iteration 22: trace = 4.607273352713722 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035138 (3.64334e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.607273350488992 (1.1854e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.607273350318334 (3.7041e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.2283e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.607273350235109 (5.78082e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 4.607273350217994 (3.71463e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.607273350209258 (1.89616e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205852 (7.39302e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.7350730895996094 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286161613 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559242676 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826084261 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938248581 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.6593821617716 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657411795582307 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146534482 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406991427 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468919919 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042397 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959227 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969535 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102686 (0.00032256% change) linmin: converged after 5 iterations. iteration 14: trace = 4.654585491988867 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.65458439175692 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912184 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099502 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003206 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952055 (6.67109e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.65458376878888 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229818 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130688 (8.80665e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.654583752195757 (4.15704e-08% change) linmin: converged after 9 iterations. iteration 24: trace = 4.654583750968563 (2.63653e-08% change) linmin: converged after 21 iterations. iteration 25: trace = 4.654583749955053 (2.17745e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.654583749144853 (1.74065e-08% change) linmin: converged after 11 iterations. iteration 27: trace = 4.654583748504248 (1.37629e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.65458374816155 (7.36258e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.654583748037949 (2.65546e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.654583747984038 (1.15825e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952652 (6.74294e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.654583747932771 (4.27146e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 4.654583747920531 (2.62947e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.654583747914252 (1.34908e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.654583747911475 (5.96688e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.722165584564209 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594725 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315087 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612632 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655599 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979143 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112118 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920476 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553699 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529443 (3.44832e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.657802747123325 (1.16022e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.657802583154826 (3.5203e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.657802512506777 (1.51677e-06% change) linmin: converged after 19 iterations. iteration 14: trace = 4.657802482770913 (6.3841e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850049 (4.92096e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 4.657802440944289 (4.05894e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135102 (3.60882e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.657802413141312 (2.3603e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.65780240822683 (1.05511e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 4.657802405927216 (4.93712e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388955 (3.30254e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.657802403523622 (1.85782e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 4.657802403119729 (8.67132e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 4.657802402939372 (3.87215e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884993 (1.16748e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.657802402867802 (3.69092e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.65780240286291 (1.05011e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861527 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.576634407043457 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728063688 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935693525 (0.0539828% change) linmin: converged after 4 iterations. iteration 3: trace = 4.668592631121893 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099610609 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138631 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918369607 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.66712129730869 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889509807 (0.000330136% change) linmin: converged after 6 iterations. iteration 9: trace = 4.667099608686656 (0.000134576% change) linmin: converged after 7 iterations. iteration 10: trace = 4.667097710975093 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241733 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921129 (6.4777e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 4.667096423536293 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918425 (1.74879e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 4.667096252444979 (1.91711e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 4.667096174501552 (1.67006e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228557 (9.91473e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109588009 (3.99404e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.667096103668014 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434466 (4.78573e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.667096100309837 (2.4097e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 4.667096099663393 (1.38511e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284748 (8.11307e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.667096099089914 (4.17464e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.667096099007754 (1.76041e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.667096098964766 (9.21083e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.667096098939575 (5.39766e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.667096098919733 (4.25145e-10% change) linmin: converged after 9 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892163 (2.16797e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.667096098888664 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.5544819831848145 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093033342 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164867 (0.058537% change) linmin: converged after 10 iterations. iteration 3: trace = 4.682869930578359 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068317738 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640009381 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106921975 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566017 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725679 (0.000171497% change) linmin: converged after 5 iterations. iteration 9: trace = 4.681618077223716 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737997851 (2.86061e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.681615858546173 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378753 (9.16708e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 4.681615194362259 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712025 (3.30335e-06% change) linmin: converged after 13 iterations. iteration 15: trace = 4.681614869242011 (3.64127e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.681614726230269 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041394 (1.45652e-06% change) linmin: converged after 10 iterations. iteration 18: trace = 4.681614630400899 (5.90405e-07% change) linmin: converged after 37 iterations. iteration 19: trace = 4.681614620951699 (2.01836e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.681614615856844 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123169 (7.97519e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813798 (7.06887e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.681614606613888 (4.69904e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.681614605684864 (1.98441e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.681614605285613 (8.52805e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.681614605099327 (3.97911e-09% change) linmin: converged after 13 iterations. iteration 27: trace = 4.681614605024984 (1.58798e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.681614605000402 (5.25059e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.681614604988976 (2.4407e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.681614604983469 (1.17624e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.681614604980835 (5.62698e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.5117769241333008 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.70568345023703 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.70269396740059 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860686399 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710702802 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397545958 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664101608 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.69997861695964 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034549861 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000631697 (6.45519e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 4.699967170930496 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407529 (3.93944e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.699964030427122 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699963 (1.78028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 4.699962560785234 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691105 (1.54915e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 4.699961225600818 (1.29169e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 4.699960906583683 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235767 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889884 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.699960551853536 (2.59858e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.699960547235489 (9.82571e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971042 (2.69034e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.699960545396197 (1.22308e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 4.699960545062297 (7.10432e-09% change) linmin: converged after 17 iterations. iteration 27: trace = 4.699960544894045 (3.57986e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.699960544831157 (1.33806e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 4.699960544805093 (5.54549e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792843 (2.60654e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.699960544786452 (1.35968e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782281 (8.8743e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.5891118049621582 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835507038 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797494285 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191088566 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201511085 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.720028727993002 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630348108 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321786559 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657791466 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335668 (0.000513673% change) linmin: converged after 4 iterations. iteration 10: trace = 4.719790508683225 (0.000358165% change) linmin: converged after 4 iterations. iteration 11: trace = 4.719779814606032 (0.00022658% change) linmin: converged after 5 iterations. iteration 12: trace = 4.719770348474322 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280309134 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 5 iterations. iteration 14: trace = 4.719718876296014 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476239666 (0.0017247% change) linmin: converged after 10 iterations. iteration 16: trace = 4.719538716018454 (0.00209256% change) linmin: converged after 7 iterations. iteration 17: trace = 4.719446199525518 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067174776 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145666389 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779903466 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996965342 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491797492 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509310038 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458937708 (4.34477e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917312441 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.719165107645221 (1.7157e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.719164862214758 (5.20072e-06% change) linmin: converged after 24 iterations. iteration 28: trace = 4.719164785195745 (1.63205e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 4.719164760925828 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750431597 (2.22375e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.719164743983883 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738003482 (1.26726e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732535467 (1.15868e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729193493 (7.08171e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 4.719164727749883 (3.05904e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.719164727251705 (1.05565e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726985723 (5.63621e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 4.719164726837792 (3.1347e-09% change) linmin: converged after 12 iterations. iteration 39: trace = 4.719164726708735 (2.73474e-09% change) linmin: converged after 7 iterations. iteration 40: trace = 4.719164726550141 (3.36064e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 4.719164726298249 (5.33764e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 4.71916472585322 (9.43025e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 4.719164725066964 (1.66609e-08% change) linmin: converged after 4 iterations. iteration 44: trace = 4.719164723722669 (2.84859e-08% change) linmin: converged after 23 iterations. iteration 45: trace = 4.719164722420009 (2.76036e-08% change) linmin: converged after 9 iterations. iteration 46: trace = 4.719164721562645 (1.81677e-08% change) linmin: converged after 29 iterations. iteration 47: trace = 4.719164720988552 (1.21652e-08% change) linmin: converged after 5 iterations. iteration 48: trace = 4.71916472062323 (7.74124e-09% change) linmin: converged after 18 iterations. iteration 49: trace = 4.719164720382047 (5.11072e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 4.719164720281921 (2.12167e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56265e-10% change) linmin: converged after 6 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218769 (1.40477e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.71916472021603 (5.80429e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 2.895876407623291 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944379891523 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472561108 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041477657 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551843586 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764237149 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.654399336080442 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590781353 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455428288 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231328 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128123 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293195 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342811 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859742 (1.59968e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.653957210162043 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852098 (3.96028e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560724 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769934 (1.13432e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 4.653956841201479 (7.42776e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.653956819085471 (4.75209e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.65395680993506 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517484 (7.34338e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199019 (2.833e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 4.653956804663054 (1.15163e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.65395680436798 (6.34029e-09% change) linmin: converged after 15 iterations. iteration 25: trace = 4.653956804189203 (3.8414e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.653956804095573 (2.01184e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.653956804061928 (7.22935e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.653956804052052 (2.12218e-10% change) linmin: converged after 16 iterations. iteration 29: trace = 4.653956804049414 (5.66806e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.7726953029632568 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978579226 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860620828 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780713 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923727054 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753193 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276808 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.5658031334063 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078056 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954828 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896301 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055287 (3.09444e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.565737746810891 (9.92708e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 4.565737597483526 (3.27061e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.565737552537143 (9.84428e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.565737539290493 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646703 (7.98072e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.565737534603482 (2.28489e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.565737534315073 (6.31682e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 4.565737534206801 (2.37139e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.56573753414394 (1.37679e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.565737534100022 (9.61898e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070951 (6.3674e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.565737534052835 (3.96766e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.565737534041939 (2.38651e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34013e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 4.565737534032807 (6.60044e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.6736359596252441 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892166 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737281 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.49666086179896 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.49574651623554 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031109 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672334 (0.000661286% change) linmin: converged after 4 iterations. iteration 8: trace = 4.495303649148999 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167787 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.495299593694355 (8.04779e-07% change) linmin: converged after 12 iterations. iteration 13: trace = 4.495299585129779 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.495299582963901 (4.8181e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 4.495299580823787 (1.61393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.495299579922 (2.00607e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325446 (1.32706e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.495299579065505 (5.7825e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.495299578960951 (2.32584e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 4.495299578913846 (1.04788e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42933e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886664 (1.61738e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884341 (5.16868e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 1.2769114971160889 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790167 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931879858 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093421 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439671 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137229 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332439 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597384 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.462589776727746 (0.00102097% change) linmin: converged after 5 iterations. iteration 9: trace = 4.46257610200297 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667398 (9.49527e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.462570546979986 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814225 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.46257001088653 (2.88909e-06% change) linmin: converged after 9 iterations. iteration 14: trace = 4.462569981202175 (6.65185e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.46256997059049 (2.37793e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.462569966989745 (8.06877e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 4.462569964422014 (5.75393e-08% change) linmin: converged after 7 iterations. iteration 18: trace = 4.462569961021072 (7.62104e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904013 (1.59483e-07% change) linmin: converged after 9 iterations. iteration 20: trace = 4.462569943683237 (2.29033e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.46256993460952 (2.03329e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.462569927927915 (1.49725e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053907 (8.68111e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.462569921863489 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105944 (1.69755e-08% change) linmin: converged after 17 iterations. iteration 26: trace = 4.462569920846197 (5.82057e-09% change) linmin: converged after 9 iterations. iteration 27: trace = 4.462569920755987 (2.02147e-09% change) linmin: converged after 10 iterations. iteration 28: trace = 4.462569920708033 (1.07459e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 4.462569920679466 (6.40135e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 4.462569920665278 (3.17948e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.462569920661402 (8.6856e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 1.3459053039550781 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603234 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616061645 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409098 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.46209968314416 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.46004739838343 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908738708 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123237 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085457 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.45859630990237 (0.000679386% change) linmin: converged after 4 iterations. iteration 10: trace = 4.458587755438534 (0.000191865% change) linmin: converged after 5 iterations. iteration 11: trace = 4.458585207924873 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490013369 (1.61018e-05% change) linmin: converged after 20 iterations. iteration 13: trace = 4.458584277334642 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200805816 (1.71644e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458584152120324 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.45858413346214 (4.18478e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789168 (1.94523e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.45858411809343 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089051 (2.24385e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093759836 (3.21385e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070134995 (5.29873e-07% change) large trace change predicted (1.49557e-06%) linmin: converged after 18 iterations. iteration 22: trace = 4.458584003453497 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777244648 (5.07356e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 24: trace = 4.458459758258259 (0.00278162% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458093271729 (3.73444e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458456431479314 (3.72728e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 4.458454776914217 (3.71107e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 4.458453129860116 (3.69423e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458451488445268 (3.68158e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458449849656692 (3.67569e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.458448209945043 (3.67776e-05% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458446565570727 (3.68822e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 4.458444912795196 (3.70707e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.458443247983713 (3.73406e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441567658865 (3.76886e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439868528528 (3.81104e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.458438147500575 (3.86016e-05% change) linmin: converged after 13 iterations. iteration 38: trace = 4.458436401699788 (3.91572e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.458434628472027 (3.97724e-05% change) linmin: converged after 9 iterations. iteration 40: trace = 4.458432825407581 (4.04417e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458430990355236 (4.11591e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 4.458429121450291 (4.19185e-05% change) linmin: converged after 10 iterations. iteration 43: trace = 4.458427217142107 (4.27125e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.458425276228057 (4.35336e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.458423297905146 (4.43727e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458421281761492 (4.5221e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419227817391 (4.60689e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.458417136633884 (4.69042e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.458415009253079 (4.77161e-05% change) linmin: converged after 12 iterations. iteration 50: trace = 4.458412847235103 (4.8493e-05% change) linmin: converged after 9 iterations. iteration 51: trace = 4.45841065266303 (4.92232e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.458408428168314 (4.98944e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 4.458406176651217 (5.05005e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.458403901626262 (5.10278e-05% change) linmin: converged after 11 iterations. iteration 55: trace = 4.458401606872811 (5.14703e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 4.458399296427462 (5.18223e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.45839697445953 (5.20808e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 4.45839464521191 (5.22441e-05% change) linmin: converged after 7 iterations. iteration 59: trace = 4.45839231287166 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389981481892 (5.22922e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387654857571 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385336515951 (5.19996e-05% change) linmin: converged after 9 iterations. iteration 63: trace = 4.458383029624313 (5.17428e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 4.458380736965614 (5.14236e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378460921876 (5.10509e-05% change) linmin: converged after 10 iterations. iteration 66: trace = 4.458376203473506 (5.06339e-05% change) linmin: converged after 7 iterations. iteration 67: trace = 4.458373966212359 (5.01811e-05% change) linmin: converged after 9 iterations. iteration 68: trace = 4.458371750365546 (4.97008e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369556863608 (4.91996e-05% change) resetting CG direction... large trace change predicted (0.0705969%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218417331746 (0.0707042% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076296259893 (0.0256389% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233406692878 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380913497 (0.0108472% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486222085326 (0.00593266% change) linmin: converged after 3 iterations. iteration 75: trace = 4.452381354921903 (0.00235528% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332142006135 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312681237569 (0.000437093% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300708973491 (0.0002689% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288392860877 (0.000276624% change) linmin: converged after 3 iterations. iteration 80: trace = 4.45227280294268 (0.000350156% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249230430278 (0.00052945% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204259118691 (0.00101009% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844876349 (0.00189603% change) linmin: converged after 4 iterations. iteration 84: trace = 4.452030543673131 (0.00200583% change) linmin: converged after 4 iterations. iteration 85: trace = 4.45197552293584 (0.00123586% change) linmin: converged after 5 iterations. iteration 86: trace = 4.451956336682908 (0.000430961% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182937841 (0.000115764% change) linmin: converged after 4 iterations. iteration 88: trace = 4.451949926952084 (2.8212e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 4.451949633716959 (6.58667e-06% change) linmin: converged after 8 iterations. iteration 90: trace = 4.451949555039724 (1.76725e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224587 (6.24786e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 4.451949519989509 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321409 (3.7469e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531421 (1.77448e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 4.451949517019614 (1.14963e-08% change) linmin: converged after 3 iterations. iteration 96: trace = 4.451949516565088 (1.02096e-08% change) linmin: converged after 3 iterations. iteration 97: trace = 4.45194951631131 (5.70039e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 4.451949516185847 (2.81816e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 4.451949516111416 (1.67188e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 4 iterations. iteration 100: trace = 4.451949515959136 (3.42052e-09% change) linmin: converged after 6 iterations. iteration 101: trace = 4.451949515672546 (6.43739e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.451949515253594 (9.41055e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776404 (1.07187e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 4.45194951416843 (1.36564e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 4.451949513641427 (1.18376e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 4.451949513445262 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374777 (1.58324e-09% change) linmin: converged after 7 iterations. iteration 108: trace = 4.451949513356691 (4.06248e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 4.45194951335274 (8.8759e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 3.0503506660461426 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117477 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4924342823622063 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448819 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212523 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446029 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752576 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802595 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.8259787164701542 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840895 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529579 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839876 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079054 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117477) to band 2 (0.4924342823622063), 48.78609719263024% Gap from band 5 (0.7988168792802595) to band 6 (0.8259787164701542), 3.343415905475791% Gap from band 7 (0.9834563303529579) to band 8 (0.9984200611839876), 1.5100569233205687% total elapsed time for run: 16.85823130607605 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.019101619720458984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498552 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776485 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544305 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741098 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.86286374516217 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173163 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422817 (0.00113437% change) linmin: converged after 8 iterations. iteration 11: trace = 2.862646034309387 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116844171 (0.00272191% change) linmin: converged after 11 iterations. iteration 13: trace = 2.862522529156126 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.86250702305457 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862497024431528 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372896 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834261 (3.77133e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726045403 (4.88347e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.86249070824902 (6.2171e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490703921658 (1.51175e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442762 (1.21534e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490696942832 (1.22269e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617096 (8.12487e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490692196376 (8.45669e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490689635972 (8.94467e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 2.86249068881215 (2.87799e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 2.862490688657743 (5.39412e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 2.86249068863399 (8.29833e-10% change) linmin: converged after 23 iterations. iteration 29: trace = 2.862490688625448 (2.98382e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.862490688620295 (1.80025e-10% change) linmin: converged after 16 iterations. iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.6145899295806885 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.8592665337501 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885410416 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720083909 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000263371 (0.0333328% change) linmin: converged after 4 iterations. iteration 5: trace = 2.836186496136361 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889968089 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.835329250902228 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260285 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412855 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980058 (4.44197e-05% change) linmin: converged after 22 iterations. iteration 11: trace = 2.83530137235452 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.83530133647686 (1.26539e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 2.835301332836324 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052827 (6.29032e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 2.835301329637789 (4.99079e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 2.835301328974367 (2.33986e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 2.835301328638412 (1.1849e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 2.835301328502628 (4.78904e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 2.835301328480652 (7.75092e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.4629533290863037 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.80104758343635 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378334312 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200921 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181834 (0.00566543% change) linmin: converged after 5 iterations. iteration 5: trace = 2.795670517948642 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105494 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060606 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521852 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408575 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968438 (2.66134e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.795630871760076 (4.32232e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631213 (4.60942e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.795630871612962 (6.52847e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.795630871602818 (3.62848e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598377 (1.58883e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.405071496963501 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.774998560215873 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227243 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795790379 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908647 (0.0039227% change) linmin: converged after 6 iterations. iteration 5: trace = 2.771573339861071 (0.00107274% change) linmin: converged after 5 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 3 iterations. iteration 7: trace = 2.771565848864934 (7.31123e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.771565436133741 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911645 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637119 (1.18147e-07% change) linmin: converged after 12 iterations. iteration 11: trace = 2.771565390406326 (8.32718e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.771565390385134 (7.6462e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.77156539038211 (1.09117e-10% change) linmin: converged after 12 iterations. iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.2155754566192627 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897694166 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676430948 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76499079933343 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212312 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243694 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702719 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.76461744645962 (2.84757e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.764617148488825 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736613 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306761 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65715e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69242e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.1309058666229248 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 4 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 7 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 16 iterations. iteration 8: trace = 2.765514678058571 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876088 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313922 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43614e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 2.765514654454888 (6.70095e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765514654390361 (2.33326e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376135 (5.14405e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.12723612785339355 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192894 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309126988 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 6 iterations. iteration 4: trace = 2.765669394833951 (0.00215489% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765658289765338 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76565667410184 (5.84188e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765656191162028 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.76565610867967 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612788 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432823 (4.01167e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370316 (2.26009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765656097345329 (9.03479e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.16318655014038086 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313225 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766538782497219 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 6 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889405 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279492 (2.41324e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.766440405119587 (3.00603e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.766440395785975 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560161 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54314e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061448 (2.59581e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.766440393054012 (2.68803e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.14046597480773926 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893329 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.769310080424471 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 5 iterations. iteration 4: trace = 2.768934648753338 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394422 (0.00089119% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76890656309235 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159754 (1.65023e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550865 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.768905997652202 (3.68956e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400175 (4.52174e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267477 (4.79246e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251333 (5.83029e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.13450193405151367 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451391057 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098715778 (0.0384934% change) linmin: converged after 4 iterations. iteration 3: trace = 2.774640612551229 (0.00873899% change) linmin: converged after 7 iterations. iteration 4: trace = 2.774560995069022 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77453459325651 (0.000951572% change) linmin: converged after 4 iterations. iteration 6: trace = 2.774531225310032 (0.000121388% change) linmin: converged after 4 iterations. iteration 7: trace = 2.774530700766645 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359497456 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863122988 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 2.774529531015569 (1.06251e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 2.774529530846424 (6.09634e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97037e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826869 (1.07768e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.14159393310546875 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010559785 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864090243 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622950957 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529274127 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018962653 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.784775033133963 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.78476738704222 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863706734 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 5 iterations. iteration 9: trace = 2.784576806706474 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.78443456658295 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945208 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152168 (7.1462e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729957 (7.48534e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 2.784404151061408 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391646 (2.75454e-07% change) linmin: converged after 19 iterations. iteration 16: trace = 2.784404142114114 (4.58817e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807705 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512633 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 3 iterations. iteration 19: trace = 2.784404140423731 (3.91072e-08% change) linmin: converged after 29 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 28 iterations. iteration 22: trace = 2.784404132526767 (1.12989e-07% change) linmin: converged after 26 iterations. iteration 23: trace = 2.784404131138652 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765977 (1.33844e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704079 (2.22301e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699127 (1.77849e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.2585127353668213 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.772753997213508 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731172 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048711009 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316778 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.76627831243169 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766276055716656 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375524 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025947 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526928 (9.03388e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766275694283745 (8.791e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 2.766275694243466 (1.45605e-09% change) linmin: converged after 7 iterations. iteration 12: trace = 2.766275694206311 (1.34313e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188478 (6.44668e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766275694185664 (1.01732e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.23771071434020996 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.771492865813062 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222254 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016951 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.765768964129088 (0.000556581% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476076 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509604 (1.26426e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765766575906304 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033982 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.76576657497265 (2.21753e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968935 (1.3433e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.342134952545166 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.791470836862437 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099793 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033089986 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715415 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429705 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414128 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368144 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 2.786825446011257 (2.92234e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 2.786825446005847 (1.9414e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.22243165969848633 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.83493324550536 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065325 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628173 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307016 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 6 iterations. iteration 6: trace = 2.829305726218515 (0.0013011% change) linmin: converged after 5 iterations. iteration 7: trace = 2.829276325559039 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342493 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813156 (2.19325e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.829270284334416 (1.81951e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 2.829270280435292 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036013 (1.41124e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 2.829270279947552 (3.12666e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913445 (1.2055e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 2.829270279899193 (5.03724e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.829270279889811 (3.31599e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885796 (1.4191e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.3586616516113281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.88614168583594 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321681 (0.411006% change) linmin: converged after 8 iterations. iteration 3: trace = 2.867461048283277 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339330284 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526576075 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260461168 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.86298756916355 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.86277099830971 (0.00756479% change) linmin: converged after 5 iterations. iteration 9: trace = 2.862591893260045 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772323387 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519860812 (0.00130139% change) linmin: converged after 6 iterations. iteration 12: trace = 2.862492614383973 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238294 (5.19528e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 2.862490902676301 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354834 (1.8977e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 2.862490815153661 (1.15987e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 2.862490774134767 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516321 (9.29905e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725345 (7.26325e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490701040766 (8.97281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.862490690405861 (3.71526e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920468 (5.18916e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724709 (6.83876e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 2.862490688677528 (1.64826e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.862490688650878 (9.31e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688640401 (3.66024e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 2.862490688636764 (1.2706e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 2.862490688630895 (2.05019e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 2.862490688622824 (2.81968e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 2.862490688619479 (1.16868e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.2552170753479004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826863 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268188 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372994 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715007 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.692014574213478 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393071 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594095 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823448 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378436), 0.02272961238288739% Gap from band 2 (0.3985126081046681) to band 3 (0.4390817228448607), 9.68705571208962% Gap from band 3 (0.49288810189980536) to band 4 (0.4933684778826863), 0.09741399808696079% Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% total elapsed time for run: 4.233124256134033 done /tmp/meepYM7cP9/test_tri_holes-0: 21.10s /tmp/meepYM7cP9/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.008077383041381836 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.4040241241455078 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.3864624500274658 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.22473907470703125 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.2244560718536377 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.20298314094543457 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.1956648826599121 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.2231743335723877 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.31380391120910645 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.1770486831665039 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.3413825035095215 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.4155251979827881 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.40541982650756836 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.3183577060699463 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.15732526779174805 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.3742225170135498 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.28982973098754883 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 4.834475040435791 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.008716106414794922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168521 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233162 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283957 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309321 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004704995 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953052988 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911362792 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952679834 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566119 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085007066 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845126679 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896341 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733837875 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657411 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189158 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.207458642124069 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.20649696589854 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793259 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735027 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041645 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474106 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318169 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163239 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945468 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725798 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520901 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519168 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714793 (4.05264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205341359594264 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.205340285757587 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.205339401862772 (1.42441e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.205338538782246 (1.39087e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 6.205338005697968 (8.59074e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.20533779281334 (3.43067e-06% change) linmin: converged after 14 iterations. iteration 36: trace = 6.205337727927921 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700665202 (4.39343e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076977 (2.99552e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 6.205337670235849 (1.90822e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.20533766360399 (1.06873e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.205337659445417 (6.7016e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656271132 (5.11541e-08% change) linmin: converged after 4 iterations. iteration 43: trace = 6.205337653590746 (4.31948e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674759 (3.08764e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 6.205337650112281 (2.51796e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.205337648922284 (1.9177e-08% change) linmin: converged after 9 iterations. iteration 47: trace = 6.205337648157436 (1.23256e-08% change) linmin: converged after 18 iterations. iteration 48: trace = 6.20533764764661 (8.23204e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357124 (4.66512e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 6.20533764722022 (2.20623e-09% change) linmin: converged after 13 iterations. iteration 51: trace = 6.205337647170952 (7.9395e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 6.20533764715244 (2.98329e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143449 (1.44892e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136523 (1.11614e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.205337647130181 (1.0221e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 1.0015947818756104 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024412352 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659804193 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131797574 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705631005 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542372 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874141 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858596 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.070592820913717 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682351 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703737 (0.000472136% change) linmin: converged after 3 iterations. iteration 11: trace = 6.070466776951315 (0.000154811% change) linmin: converged after 3 iterations. iteration 12: trace = 6.070462362656822 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493464 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551033 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420175 (2.06131e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.070460137715081 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900742 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276799 (2.2443e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.07046007986356 (1.15842e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.070460075401997 (7.34963e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.070460072809237 (4.27111e-08% change) linmin: converged after 10 iterations. iteration 23: trace = 6.070460071630654 (1.94151e-08% change) linmin: converged after 23 iterations. iteration 24: trace = 6.070460071141095 (8.0646e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 6.070460070886772 (4.18953e-09% change) linmin: converged after 18 iterations. iteration 26: trace = 6.070460070770764 (1.91102e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 6.070460070719212 (8.49236e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 6.070460070698456 (3.41915e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 6.070460070686254 (2.01003e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.070460070677973 (1.36406e-10% change) linmin: converged after 20 iterations. iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.6386895179748535 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450099651 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164987615 (0.262374% change) linmin: converged after 4 iterations. iteration 3: trace = 5.859434248089517 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394584574 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107094 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447409 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142514 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979383 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313636 (0.000174901% change) linmin: converged after 6 iterations. iteration 10: trace = 5.85624293285546 (8.3184e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.856240727525813 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988355 (2.76208e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.856238145767135 (1.64649e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 5.856237866910497 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777123892 (1.53318e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 5.856237751867796 (4.31268e-07% change) linmin: converged after 10 iterations. iteration 17: trace = 5.856237743987695 (1.34559e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787464 (5.46465e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.85623773908993 (2.89868e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 5.856237737682886 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546369 (1.9407e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790062 (1.29146e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.856237735217729 (9.77305e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.8562377349484 (4.599e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.856237734795146 (2.61694e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.856237734734316 (1.03871e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.8562377347143 (3.41789e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707861 (1.09956e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.8576011657714844 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296896508 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917668216 (0.11105% change) linmin: converged after 4 iterations. iteration 3: trace = 5.680153605096928 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245556072 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.67938121002896 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397145543 (0.000753833% change) linmin: converged after 5 iterations. iteration 7: trace = 5.679327009081291 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501428527 (9.69773e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.67931869579583 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872701 (2.86465e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.679316526996146 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977444 (3.5571e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.679316236097751 (2.8645e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.679316231672794 (7.79136e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.679316229977095 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108177 (1.52997e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.679316228341653 (1.34968e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 5.679316227585914 (1.33069e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.679316226988041 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97507e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.67931622663782 (1.19154e-09% change) linmin: converged after 9 iterations. iteration 23: trace = 5.679316226609477 (4.99051e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.679316226600837 (1.52135e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 1.0221152305603027 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.57218121352375 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925706007 (0.0642735% change) linmin: converged after 3 iterations. iteration 3: trace = 5.567657736853601 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135072 (0.00383592% change) linmin: converged after 5 iterations. iteration 5: trace = 5.567377620490181 (0.00119534% change) linmin: converged after 5 iterations. iteration 6: trace = 5.567363512847055 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913101 (6.29011e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567358378549432 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479857 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846616 (7.8607e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.567356991067827 (2.42088e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.567356957505876 (6.02835e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.567356948843496 (1.55592e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567356946798316 (3.67352e-08% change) linmin: converged after 22 iterations. iteration 15: trace = 5.567356946093135 (1.26664e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.20514e-09% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567356945304207 (5.96546e-09% change) linmin: converged after 7 iterations. iteration 18: trace = 5.567356944950218 (6.35829e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567356944690507 (4.66488e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.567356944584951 (1.89599e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567356944550362 (6.21286e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567356944542213 (1.46372e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.9563169479370117 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106742345 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108995 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715393 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820871 (0.00226257% change) linmin: converged after 4 iterations. iteration 5: trace = 5.529282320152231 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469082 (0.000147391% change) linmin: converged after 9 iterations. iteration 7: trace = 5.529272236624188 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.52927160610899 (1.14032e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.529271436020514 (3.07615e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 5.529271373878376 (1.12388e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.529271337491402 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740964 (3.02941e-07% change) linmin: converged after 32 iterations. iteration 13: trace = 5.52927131554956 (9.38895e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.52927131449556 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233556 (4.73849e-09% change) linmin: converged after 17 iterations. iteration 16: trace = 5.529271314081585 (2.74848e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.529271313980218 (1.83328e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.529271313876949 (1.86769e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.529271313777745 (1.79416e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.529271313733425 (8.01554e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.529271313721345 (2.18476e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 1.2201013565063477 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517440993 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185464449 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.533288931112328 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711817137 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53234281599609 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53223657988553 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246417 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409585 (0.000349281% change) linmin: converged after 5 iterations. iteration 9: trace = 5.532156997902877 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963378 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741136 (9.49399e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.532153673436563 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.532153624609109 (8.82612e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.532153611036557 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469198 (6.44841e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.53215360667281 (1.43956e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.532153606425389 (4.47241e-09% change) linmin: converged after 8 iterations. iteration 18: trace = 5.532153606309882 (2.08793e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238234 (1.29511e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.532153606171855 (1.19987e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.532153606115742 (1.01431e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.532153606087498 (5.10544e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.532153606073366 (2.55449e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 1.5896086692810059 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467745 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135059004 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333685 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.53586963592839 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921418 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 5 iterations. iteration 9: trace = 5.534699673866186 (0.000173854% change) linmin: converged after 5 iterations. iteration 10: trace = 5.534696883149079 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656591 (1.05786e-05% change) linmin: converged after 14 iterations. iteration 12: trace = 5.534696086069424 (3.82292e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.53469602314202 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432271 (3.56113e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.534695997023228 (1.15798e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 5.534695995144553 (3.39436e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.534695994510908 (1.14486e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.534695994207878 (5.47511e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.5346959940304 (3.20664e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.534695993871268 (2.87518e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.534695993784571 (1.56643e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.534695993753228 (5.66299e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.534695993742769 (1.88975e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 1.7435364723205566 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339883141 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895849107 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673732058 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466592 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141156 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433182 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010774 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268946 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125399 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729437 (5.83375e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52714047204988 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332192 (1.55184e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.527140039497725 (4.31226e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.527140027391177 (6.10863e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.527140025708307 (3.04474e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.527140024739852 (1.75218e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.52714002424972 (8.86774e-09% change) linmin: converged after 20 iterations. iteration 20: trace = 5.527140024034409 (3.89551e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.527140023982141 (9.45668e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969882 (2.2179e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.7055768966674805 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858706062 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237674 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977724 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127324 (0.0137437% change) linmin: converged after 4 iterations. iteration 5: trace = 5.514757022135015 (0.00687383% change) linmin: converged after 9 iterations. iteration 6: trace = 5.514652113037966 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.51460223226159 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.51458988830778 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299526 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956625 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925806 (9.88345e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.514581551297036 (3.67442e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 5.514581501626852 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384372 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005886 (6.12646e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.514581486953491 (1.90839e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.514581486665213 (5.22756e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577285 (1.59446e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.514581486551827 (4.61646e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.514581486536881 (2.71032e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.514581486529239 (1.38576e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 1.172276258468628 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354884038 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342223 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143168 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 5 iterations. iteration 5: trace = 5.508737669131326 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257637 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.508654122067274 (0.000535832% change) linmin: converged after 5 iterations. iteration 8: trace = 5.508646692888515 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274298 (5.63226e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.508642644310974 (1.71723e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.508642365130625 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323832 (1.86628e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.508642237881131 (4.43716e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.508642233589994 (7.78983e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.508642232550771 (1.88653e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.508642232232832 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.508642232157101 (1.37477e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.508642232135503 (3.92072e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 1.6829190254211426 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313168 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881727 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342748 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670689 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830649 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395581 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695417993 (0.000380238% change) linmin: converged after 4 iterations. iteration 9: trace = 5.538951634380074 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756816 (4.79987e-05% change) linmin: converged after 34 iterations. iteration 11: trace = 5.538948192460804 (1.41416e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.538947835307319 (6.44804e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.538947686577418 (2.68517e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538947636561977 (9.02977e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030194 (3.34572e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.538947613905393 (7.4469e-08% change) linmin: converged after 23 iterations. iteration 17: trace = 5.538947613187704 (1.29571e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.538947612989034 (3.58677e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.538947612948648 (7.29134e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937278 (2.05266e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 1.7602300643920898 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200631501 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549628191 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479465311 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868754246 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497329 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264385 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.63693616636827 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755417 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414136 (0.000160804% change) linmin: converged after 6 iterations. iteration 10: trace = 5.636893338294109 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.636892881857397 (8.09731e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 5.636892759768442 (2.16589e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.636892722735079 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210956 (1.86701e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.636892708239734 (7.04506e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.636892706830089 (2.50075e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.636892706179625 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778893 (7.10909e-09% change) linmin: converged after 25 iterations. iteration 19: trace = 5.636892705608977 (3.01435e-09% change) linmin: converged after 17 iterations. iteration 20: trace = 5.636892705551569 (1.01844e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.636892705530974 (3.65362e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.5386579036712646 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.81850397229077 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946629663 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955588935 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036810262 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684313883 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579567 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816898936 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546447 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771267 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624883 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317811 (9.46769e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876407 (6.21864e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.807437481552951 (3.4668e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.807436670284366 (1.39695e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.8074362899604 (6.54891e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.807436162892381 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334483 (6.29502e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 5.807436113287418 (4.99442e-08% change) linmin: converged after 26 iterations. iteration 20: trace = 5.807436112416768 (1.4992e-08% change) linmin: converged after 20 iterations. iteration 21: trace = 5.807436112088622 (5.65045e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.807436111990087 (1.6967e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.80743611192849 (1.06067e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.807436111892699 (6.16295e-10% change) linmin: converged after 18 iterations. iteration 25: trace = 5.807436111861502 (5.3718e-10% change) linmin: converged after 12 iterations. iteration 26: trace = 5.807436111844974 (2.84603e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.4062623977661133 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406898 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.04721742344514 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353635004 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071556 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957797 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541616 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732497 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498213 (0.00324293% change) linmin: converged after 4 iterations. iteration 9: trace = 6.039366429150525 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543028 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154683 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291311 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215228 (0.000194101% change) linmin: converged after 3 iterations. iteration 14: trace = 6.039151356031253 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.03914929136149 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716702 (4.8458e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832842 (2.11758e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 6.039148806998378 (1.05701e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226737 (7.96694e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437228 (2.96318e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 6.039148747735011 (1.16277e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.039148746498665 (1.0021e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 6.039148745995296 (8.3351e-09% change) linmin: converged after 22 iterations. iteration 28: trace = 6.039148745700736 (4.87751e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 6.039148745569349 (2.17558e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510188 (9.79634e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.039148745490023 (3.33908e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.5171282291412354 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915282703 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546870506 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153904172 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635423668 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497514124 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175370947 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982920777 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637846104 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505965657 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423721 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116506 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.20538969590178 (0.000229755% change) linmin: converged after 7 iterations. iteration 13: trace = 6.205378818817865 (0.000175285% change) linmin: converged after 5 iterations. iteration 14: trace = 6.20536902289189 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408646 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260895072 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521570035 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171488 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.205340291030811 (4.98948e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895535662 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348829109 (8.81026e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122341 (5.05543e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843117912 (3.09418e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205337736263818 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834875 (8.77131e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438703 (3.77033e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 6.205337650174807 (1.33174e-07% change) linmin: converged after 14 iterations. iteration 28: trace = 6.205337648379766 (2.89274e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812921 (9.1348e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205337647526122 (4.62181e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.20533764730531 (3.55842e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205337647187882 (1.89237e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139041 (7.87079e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.205337647127357 (1.88289e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.34584879875183105 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039021 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191518 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415254 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594292 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041982 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575196 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% total elapsed time for run: 16.17631435394287 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepYM7cP9/test_tri_rods-0: 21.09s /tmp/meepYM7cP9/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00481414794921875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.2510242462158203 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.9357602596282959 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.7819046974182129 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.5017671585083008 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.3254365921020508 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.31293559074401855 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.3489663600921631 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.4770529270172119 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.6199686527252197 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.6401524543762207 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.19122910499572754 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415341 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317017 (2.34224e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309861 (1.70469e-10% change) linmin: converged after 8 iterations. iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.35372185707092285 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338977 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.283281438838008 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693609 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102652 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991159 (2.21481e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.19769501686096191 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164765 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 5 iterations. iteration 5: trace = 4.410114427040232 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711942 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698954 (2.90272e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.410102277309537 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815383 (5.65555e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561979 (5.746e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.410102274546347 (3.54458e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.44675374031066895 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101568 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258571 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323366 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319917 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 9 iterations. iteration 6: trace = 4.534531477384963 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244491 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393298 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423107 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618731 (7.91743e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75014e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.534517622760765 (4.58572e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.39887571334838867 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273709 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330472 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234653 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379689 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189914 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102072 (0.000900408% change) linmin: converged after 10 iterations. iteration 7: trace = 4.577900193795437 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57789572495597 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564435 (2.15468e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.577894647524322 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981874 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.57789462756006 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91274e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.577894626586341 (2.14266e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573655 (2.77111e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572484 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(25.582641991783166) not less than or equal to np.float64(0.03691917153659588) : ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list self.check_freqs(expected_gap_list, result) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- Ran 47 tests in 2836.405s FAILED (failures=4) elapsed time for k point: 0.3977534770965576 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585158 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443277 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.560560794779775) to band 4 (0.5932960873585158), 5.6740646236952275% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 7.189779996871948 done /tmp/meepYM7cP9/test_triangular_lattice-0: 7.19s /tmp/meepYM7cP9/test_update_band_range_data-0 ======================== /tmp/meepYM7cP9/test_update_band_range_data-0: 0.00s Elapsed run time = 2836.7451 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition =================================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_mode_decomposition.py (exit status: 1) FAIL: tests/test_pml_cyl ======================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_pml_cyl.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' Byte-compiling python modules... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (more optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' Byte-compiling python modules... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' Byte-compiling python modules... mpb.py solver.py mpb_data.py Byte-compiling python modules (optimized versions) ... mpb.py solver.py mpb_data.py Byte-compiling python modules (more optimized versions) ... mpb.py solver.py mpb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyErr_Occurred: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyCapsule_GetPointer: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/1726365 and its subdirectories I: Current time: Tue Mar 11 06:44:18 +14 2025 I: pbuilder-time-stamp: 1741625058 + false + set +x Mon Mar 10 16:44:18 UTC 2025 I: Signing ./b2/meep_1.29.0-1_amd64.buildinfo as meep_1.29.0-1_amd64.buildinfo.asc Mon Mar 10 16:44:18 UTC 2025 I: Signed ./b2/meep_1.29.0-1_amd64.buildinfo as ./b2/meep_1.29.0-1_amd64.buildinfo.asc Mon Mar 10 16:44:18 UTC 2025 - build #2 for meep/trixie/amd64 on ionos1-amd64 done. Starting cleanup. All cleanup done. Mon Mar 10 16:44:18 UTC 2025 - reproducible_build.sh stopped running as /tmp/jenkins-script-gPAzXzlX, removing. /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9: total 5180 drwxr-xr-x 2 jenkins jenkins 4096 Mar 10 07:22 b1 drwxr-xr-x 2 jenkins jenkins 4096 Mar 10 16:44 b2 -rw-r--r-- 1 jenkins jenkins 2495 Mar 2 12:43 meep_1.29.0-1.dsc -rw------- 1 jenkins jenkins 5278882 Mar 10 07:22 rbuildlog.axeUTPG /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1: total 62564 -rw-r--r-- 1 jenkins jenkins 5275019 Mar 10 07:22 build.log -rw-r--r-- 1 jenkins jenkins 510552 Mar 10 07:22 libmeep-dev_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 3549964 Mar 10 07:22 libmeep33-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 509764 Mar 10 07:22 libmeep33_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1975760 Mar 10 07:22 meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 143852 Mar 10 07:22 meep_1.29.0-1.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2495 Mar 10 07:22 meep_1.29.0-1.dsc -rw-r--r-- 1 jenkins jenkins 14427 Mar 10 07:22 meep_1.29.0-1_amd64.buildinfo -rw-r--r-- 1 jenkins jenkins 15309 Mar 10 07:22 meep_1.29.0-1_amd64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 3034 Mar 10 07:22 meep_1.29.0-1_amd64.changes -rw-r--r-- 1 jenkins jenkins 309184 Mar 10 07:22 meep_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1546 Mar 10 07:22 meep_1.29.0-1_source.changes -rw-r--r-- 1 jenkins jenkins 45869613 Mar 10 07:22 meep_1.29.0.orig.tar.gz -rw-r--r-- 1 jenkins jenkins 4887892 Mar 10 07:22 python3-meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 865336 Mar 10 07:22 python3-meep_1.29.0-1_amd64.deb /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2: total 62464 -rw-r--r-- 1 jenkins jenkins 5275404 Mar 10 16:44 build.log -rw-r--r-- 1 jenkins jenkins 510552 Mar 10 16:44 libmeep-dev_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 3549964 Mar 10 16:44 libmeep33-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 509764 Mar 10 16:44 libmeep33_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1975760 Mar 10 16:44 meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 143852 Mar 10 16:44 meep_1.29.0-1.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2495 Mar 10 16:44 meep_1.29.0-1.dsc -rw-r--r-- 1 jenkins jenkins 14416 Mar 10 16:44 meep_1.29.0-1_amd64.buildinfo -rw-r--r-- 1 jenkins jenkins 15298 Mar 10 16:44 meep_1.29.0-1_amd64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 3034 Mar 10 16:44 meep_1.29.0-1_amd64.changes -rw-r--r-- 1 jenkins jenkins 309184 Mar 10 16:44 meep_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 1546 Mar 10 16:44 meep_1.29.0-1_source.changes -rw-r--r-- 1 jenkins jenkins 45869613 Mar 10 16:44 meep_1.29.0.orig.tar.gz -rw-r--r-- 1 jenkins jenkins 4887892 Mar 10 16:44 python3-meep-dbgsym_1.29.0-1_amd64.deb -rw-r--r-- 1 jenkins jenkins 865336 Mar 10 16:44 python3-meep_1.29.0-1_amd64.deb Mon Mar 10 16:44:19 UTC 2025 I: Deleting $TMPDIR on ionos1-amd64.debian.net. Mon Mar 10 16:44:20 UTC 2025 I: meep_1.29.0-1_amd64.changes: Format: 1.8 Date: Sat, 01 Mar 2025 13:42:08 +0100 Source: meep Binary: libmeep-dev libmeep33 libmeep33-dbgsym meep meep-dbgsym python3-meep python3-meep-dbgsym Architecture: amd64 Version: 1.29.0-1 Distribution: unstable Urgency: medium Maintainer: Thorsten Alteholz Changed-By: Thorsten Alteholz Description: libmeep-dev - development library for using meep libmeep33 - library for using meep meep - software package for FDTD simulation python3-meep - software package for FDTD simulation with Python Closes: 1094928 1097134 Changes: meep (1.29.0-1) unstable; urgency=medium . * New upstream release. * debian/rules: add call to dh_numpy3 (Closes: #1094928) * debian/control: only build on 64 bit architectures (Closes: #1097134) Checksums-Sha1: 9426b83fbbe9bec22e211570dc7e62d1c68df06f 510552 libmeep-dev_1.29.0-1_amd64.deb 5b5c9d691e4bfc537ec50c50a3a0055014df0827 3549964 libmeep33-dbgsym_1.29.0-1_amd64.deb 26c35e554e0abb068b3970c7efa121c91ae61832 509764 libmeep33_1.29.0-1_amd64.deb d84cb940ffa9a38d019f7b2b1aa6160982a05052 1975760 meep-dbgsym_1.29.0-1_amd64.deb 8f5c14166df8a067b926658f49e1538e369ffc6a 14427 meep_1.29.0-1_amd64.buildinfo 4b9dcff903e2ec13cbc26f719b63862d8b60afc6 309184 meep_1.29.0-1_amd64.deb ea0b01b2f1febff79aeb4b2ea4e6507b782d56cf 4887892 python3-meep-dbgsym_1.29.0-1_amd64.deb 0f27e99cd187e5ae1e360bdee10e81a5af8f9a74 865336 python3-meep_1.29.0-1_amd64.deb Checksums-Sha256: 7fc317756a9df79ff2e66d41088e387500d716b20da53746cda6e25ab1906336 510552 libmeep-dev_1.29.0-1_amd64.deb 96716e7994ec883bd33645e3ea893092240fe53e2a5ca946c3cde43c9a2bd1ab 3549964 libmeep33-dbgsym_1.29.0-1_amd64.deb 6b25b69351991764c4fa7b79acad515cbd2e804028c183f442458f530eddeb14 509764 libmeep33_1.29.0-1_amd64.deb 8ba5b5c623b86794cbb9a49864b5820ca4e1fb048d4a51d72c15fa3b43877d36 1975760 meep-dbgsym_1.29.0-1_amd64.deb aac8b054447ab3cff378256840553188cd4818f2b959166258ace416c8dfd46a 14427 meep_1.29.0-1_amd64.buildinfo 4d738f6382b8d5a0d3b1deaced571b94271291bbb39cf2b4b8bedec54ec405ba 309184 meep_1.29.0-1_amd64.deb 59f26221e2d6ff402455dd34dc487401a7bbe9ec39303d60785c66ae2b8f39a3 4887892 python3-meep-dbgsym_1.29.0-1_amd64.deb fa11b9201d6bbfbb2823704a53c690680fafb7e1c9fb1aaf3c69813161794ddf 865336 python3-meep_1.29.0-1_amd64.deb Files: ac39714bfbd5da984a301802c2416c7a 510552 libdevel optional libmeep-dev_1.29.0-1_amd64.deb 066d68d8c17dfb7269ef1b5f60914c7b 3549964 debug optional libmeep33-dbgsym_1.29.0-1_amd64.deb 25d168c73bfb54ebb53d866f08c34285 509764 libs optional libmeep33_1.29.0-1_amd64.deb 661b04047024963308fd4b463a4cdecf 1975760 debug optional meep-dbgsym_1.29.0-1_amd64.deb 4c2b0d329e9e4374280d4603477af6c4 14427 science optional meep_1.29.0-1_amd64.buildinfo 24b1f8b2604473b3d117ebbd0b864324 309184 science optional meep_1.29.0-1_amd64.deb d353bf518a8c995ef61053ce6a9a557e 4887892 debug optional python3-meep-dbgsym_1.29.0-1_amd64.deb bbfb219447ee4f82cdbf77bc8ff4715e 865336 python optional python3-meep_1.29.0-1_amd64.deb Diff of the two buildlogs: -- --- b1/build.log 2025-03-10 07:22:13.591314090 +0000 +++ b2/build.log 2025-03-10 16:44:19.504003457 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Apr 12 01:05:05 -12 2026 -I: pbuilder-time-stamp: 1775999105 +I: Current time: Mon Mar 10 21:22:18 +14 2025 +I: pbuilder-time-stamp: 1741591338 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D01_modify_environment starting +debug: Running on ionos1-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 10 07:22 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='cb352a3b02e4438e95a6c204c7825bb5' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='2341410' - PS1='# ' - PS2='> ' + INVOCATION_ID=b78964e94c4e4567ad71ce0778d72f09 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1726365 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_JlNO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1 --logfile b1/build.log meep_1.29.0-1.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/pbuilderrc_Tsm0 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2 --logfile b2/build.log meep_1.29.0-1.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -436,7 +468,7 @@ Get: 282 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 283 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB] Get: 284 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB] -Fetched 241 MB in 4s (62.2 MB/s) +Fetched 241 MB in 15s (15.9 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19800 files and directories currently installed.) @@ -1353,8 +1385,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Sun Apr 12 13:06:33 UTC 2026. -Universal Time is now: Sun Apr 12 13:06:33 UTC 2026. +Local time is now: Mon Mar 10 07:27:48 UTC 2025. +Universal Time is now: Mon Mar 10 07:27:48 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1613,7 +1645,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable @@ -1883,7 +1919,7 @@ config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build - make -j42 + make -j20 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' @@ -1893,7 +1929,7 @@ (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1901,111 +1937,401 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory 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initialize.cpp -fPIC -DPIC -o .libs/initialize.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o +dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 +In file included from fields.cpp:25: +meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': +meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] + 2255 | timing_scope working_on; + | ^~~~~~~~~~ +meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] + 1744 | std::vector bfast_scaled_k; + | ^~~~~~~~~~~~~~ +fields.cpp:32:1: warning: when initialized here [-Wreorder] + 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, + | ^~~~~~ +meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': +meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] + 1506 | double beta; + | ^~~~ +meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] + 1505 | std::vector bfast_scaled_k; + | ^~~~~~~~~~~~~~ +fields.cpp:242:1: warning: when initialized here [-Wreorder] + 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, + | ^~~~~~~~~~~~ +boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': +boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] + 120 | switch (d) { + | ^~~~~~ +boundaries.cpp:128:5: note: here + 128 | case D3: + | ^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 +libtool: compile: 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meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': +monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] + 327 | component cc = comp_list[com_it]; + | ^~ +monitor.cpp:274:15: note: 'comp_list' declared here + 274 | component comp_list[3]; + | ^~~~~~~~~ +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o structure.lo structure.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong 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function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': +mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] + 692 | vasprintf(&s, fmt, ap); + | ~~~~~~~~~^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection 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x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] + 115 | snprintf(outdirname, buflen, "%s-out", basename); + | ^~~~ +In file included from /usr/include/stdio.h:970, + from output_directory.cpp:18: +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] + 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); + | ^~ ~~~~~~~~~~ +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] + 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); + | ^~~~~ +output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] + 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); + | ^~~~~~~~~~~ +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 +step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': +step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] + 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); + | ^~ +step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] + 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); + | ^~~ +In file included from sources.cpp:27: +meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': +meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] + 81 | std::vector > amp; // amplitudes + | ^~~ +meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] + 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling + | ^~~~~~~~~~~~~~~~~~ +sources.cpp:168:1: warning: when initialized here [-Wreorder] + 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, + | ^~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { -step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 144 | CHUNK_OPENMP +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o time.lo time.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_eh.lo update_eh.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o mpb.lo mpb.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o +structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': +structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^ +structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +In file included from /usr/include/stdio.h:970, + from structure_dump.cpp:22: +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o vec.lo vec.cpp +structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': +structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 19] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 4] +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic.lo step_generic.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meepgeom.lo meepgeom.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o +step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } +step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } +step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } +step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { +step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] @@ -2180,163 +2506,32 @@ step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } -step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } -step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } -step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { -step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -In file included from sources.cpp:27: -meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': -meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] - 81 | std::vector > amp; // amplitudes - | ^~~ -meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] - 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling - | ^~~~~~~~~~~~~~~~~~ -sources.cpp:168:1: warning: when initialized here [-Wreorder] - 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, - | ^~~~~~~ -step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': -step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] - 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); - | ^~ -step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] - 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); - | ^~~ -step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] - 436 | realnum dt2 = dt * 0.5; +step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] + 434 | realnum dt2 = dt * 0.5; | ^~~ -meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': -meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] - 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { - | ^~~~~~~~~~~~ -step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, +step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ -step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, +step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, +step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, +step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ -step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, +step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 +meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': +meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] + 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { + | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; @@ -2389,188 +2584,34 @@ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] - 115 | snprintf(outdirname, buflen, "%s-out", basename); - | ^~~~ -In file included from /usr/include/stdio.h:970, - from output_directory.cpp:18: -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] - 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); - | ^~ ~~~~~~~~~~ -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] - 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); - | ^~~~~ -output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] - 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); - | ^~~~~~~~~~~ -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 -meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': -meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] - 2617 | } - | ^ -monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': -monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] - 327 | component cc = comp_list[com_it]; - | ^~ -monitor.cpp:274:15: note: 'comp_list' declared here - 274 | component comp_list[3]; - | ^~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 -boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': -boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] - 120 | switch (d) { - | ^~~~~~ -boundaries.cpp:128:5: note: here - 128 | case D3: - | ^~~~ -In file included from fields.cpp:25: -meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': -meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] - 2255 | timing_scope working_on; - | ^~~~~~~~~~ -meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] - 1744 | std::vector bfast_scaled_k; - | ^~~~~~~~~~~~~~ -fields.cpp:32:1: warning: when initialized here [-Wreorder] - 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, - | ^~~~~~ -step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] - 434 | realnum dt2 = dt * 0.5; +step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] + 436 | realnum dt2 = dt * 0.5; | ^~~ -meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': -meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] - 1506 | double beta; - | ^~~~ -meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] - 1505 | std::vector bfast_scaled_k; - | ^~~~~~~~~~~~~~ -fields.cpp:242:1: warning: when initialized here [-Wreorder] - 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, - | ^~~~~~~~~~~~ -step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, +step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ -step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, +step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ -step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, +step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ -step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, +step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ -step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, +step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 -structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': -structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^ -structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/stdio.h:970, - from structure_dump.cpp:22: -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 -mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': -mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] - 408 | int in[5], out[5]; - | ^~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 -mympi.cpp: In function 'void meep::abort(const char*, ...)': -mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] - 248 | vasprintf(&s, fmt, ap); - | ~~~~~~~~~^~~~~~~~~~~~~ -mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': -mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] - 692 | vasprintf(&s, fmt, ap); - | ~~~~~~~~~^~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 +meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': +meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] + 2617 | } + | ^ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 -structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': -structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 19] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 4] -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, @@ -2580,16 +2621,11 @@ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") @@ -2708,13 +2744,13 @@ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ @@ -2739,7 +2775,7 @@ 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") @@ -2765,10 +2801,10 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { @@ -2836,13 +2872,13 @@ meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") @@ -2850,7 +2886,7 @@ libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") @@ -2905,94 +2941,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bench bench.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib 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+./scheme/meep.scm.in ======================================== meep 1.29.0: python/test-suite.log ======================================== @@ -4538,7 +4574,7 @@ # XPASS: 0 # ERROR: 0 -System information (uname -a): Linux 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 +System information (uname -a): Linux 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" @@ -4553,7 +4589,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-usksy2xp because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-3r9ai30n because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4574,13 +4610,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.8967 s +Elapsed run time = 3.9058 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-z_w0tpbr because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-a5drmgzu because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4601,13 +4637,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.4279 s +Elapsed run time = 0.6119 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-a2__w8ki because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-icrz48b2 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4628,7 +4664,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2108 s +Elapsed run time = 1.7598 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4643,13 +4679,13 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-v_fwq5wc because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-nb2q6ud1 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0037 s +Elapsed run time = 0.0386 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4664,19 +4700,19 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-fvvg9p9z because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-dr_3ch8n because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0013 s +Elapsed run time = 0.0249 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-s81jy622 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-_pe2y1_u because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4686,13 +4722,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2292 s +Elapsed run time = 6.9601 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-ug54u6zi because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-_2ou4knh because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4713,15 +4749,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2158 s +Elapsed run time = 2.6607 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-6w63qf2r because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-5n9tkeh4 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. -/tmp/meepFBAM2J/test_anisotropic_2d_gap-0 +/tmp/meepYM7cP9/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4764,7 +4800,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018837451934814453 +elapsed time for initialization: 0.022668123245239258 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... @@ -4875,7 +4911,7 @@ iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -elapsed time for k point: 0.12105560302734375 +elapsed time for k point: 1.2322378158569336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4970,7 +5006,7 @@ iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 -elapsed time for k point: 0.16572952270507812 +elapsed time for k point: 1.9928624629974365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5063,7 +5099,7 @@ iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 -elapsed time for k point: 0.16238093376159668 +elapsed time for k point: 1.6674015522003174 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5164,7 +5200,7 @@ iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 -elapsed time for k point: 0.17856550216674805 +elapsed time for k point: 2.559650421142578 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5247,7 +5283,7 @@ iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 -elapsed time for k point: 0.1468966007232666 +elapsed time for k point: 1.4297356605529785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5324,7 +5360,7 @@ iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 -elapsed time for k point: 0.13326263427734375 +elapsed time for k point: 1.8358831405639648 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5405,7 +5441,7 @@ iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 -elapsed time for k point: 0.1491236686706543 +elapsed time for k point: 2.1508359909057617 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5484,7 +5520,7 @@ iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 -elapsed time for k point: 0.13640975952148438 +elapsed time for k point: 1.5057144165039062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5565,7 +5601,7 @@ iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 -elapsed time for k point: 0.14573884010314941 +elapsed time for k point: 1.0103375911712646 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5654,7 +5690,7 @@ iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 -elapsed time for k point: 0.16057658195495605 +elapsed time for k point: 1.3203792572021484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5766,7 +5802,7 @@ iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 -elapsed time for k point: 0.2035372257232666 +elapsed time for k point: 2.8433399200439453 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5860,7 +5896,7 @@ iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 -elapsed time for k point: 0.16277670860290527 +elapsed time for k point: 1.7739827632904053 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5933,7 +5969,7 @@ iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 -elapsed time for k point: 0.13000011444091797 +elapsed time for k point: 1.5987796783447266 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -6020,7 +6056,7 @@ iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 -elapsed time for k point: 0.15881705284118652 +elapsed time for k point: 1.5320405960083008 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6101,7 +6137,7 @@ iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 -elapsed time for k point: 0.15035033226013184 +elapsed time for k point: 1.4134483337402344 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6186,7 +6222,7 @@ iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -..elapsed time for k point: 0.0892341136932373 +..elapsed time for k point: 1.6265301704406738 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> @@ -6195,15 +6231,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 2.3978397846221924 +total elapsed time for run: 27.56475257873535 done -/tmp/meepFBAM2J/test_anisotropic_2d_gap-0: 2.40s +/tmp/meepYM7cP9/test_anisotropic_2d_gap-0: 27.57s -/tmp/meepFBAM2J/test_attribute_accessors-0 +/tmp/meepYM7cP9/test_attribute_accessors-0 ======================== -/tmp/meepFBAM2J/test_attribute_accessors-0: 0.00s +/tmp/meepYM7cP9/test_attribute_accessors-0: 0.00s -/tmp/meepFBAM2J/test_bragg-0 +/tmp/meepYM7cP9/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6231,7 +6267,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00022077560424804688 +elapsed time for initialization: 0.0008306503295898438 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... @@ -6243,7 +6279,7 @@ linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 53.3333%) + switching to approximate line minimization (decrease time by 51.7572%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) @@ -6252,19 +6288,24 @@ iteration 9: trace = 18.62908778007814 (3.72965e-06% change) iteration 10: trace = 18.62908770043223 (4.27535e-07% change) iteration 11: trace = 18.62908769519267 (2.81257e-08% change) + switching back to exact line minimization iteration 12: trace = 18.62908769492712 (1.42543e-09% change) - iteration 13: trace = 18.62908769487256 (2.92889e-10% change) - iteration 14: trace = 18.62908769486296 (5.15293e-11% change) -Finished solving for bands 1 to 8 after 14 iterations. + linmin: converged after 3 iterations. + iteration 13: trace = 18.62908769486412 (3.38182e-10% change) + linmin: converged after 3 iterations. + switching to approximate line minimization (decrease time by 70.7635%) + iteration 14: trace = 18.6290876949044 (2.16225e-10% change) + iteration 15: trace = 18.62908769489695 (4.00105e-11% change) +Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 -elapsed time for k point: 0.0020880699157714844 -total elapsed time for run: 0.0023620128631591797 +elapsed time for k point: 0.05417323112487793 +total elapsed time for run: 0.05536985397338867 done -Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepFBAM2J/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepFBAM2J/test_bragg-0: 0.01s +Fixing h-field (band 8) phase by 0.909549 + -0.415597i; max ampl. = 1.96664 +.Outputting fields to /tmp/meepYM7cP9/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepYM7cP9/test_bragg-0: 0.43s -/tmp/meepFBAM2J/test_bragg_sine-0 +/tmp/meepYM7cP9/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6300,7 +6341,7 @@ Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.003334522247314453 +elapsed time for initialization: 0.09836316108703613 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -6316,463 +6357,391 @@ linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618325 (0.0540165% change) linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 68.8073%) iteration 6: trace = 11.08249596623342 (0.00433692% change) - linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 56.5217%) - iteration 7: trace = 11.08219937792932 (0.00267622% change) - iteration 8: trace = 11.080392850722 (0.0163025% change) - iteration 9: trace = 11.07371100354852 (0.0603215% change) - iteration 10: trace = 11.07251024800463 (0.0108439% change) - iteration 11: trace = 11.07220229832265 (0.00278125% change) - iteration 12: trace = 11.07213750357019 (0.000585204% change) - iteration 13: trace = 11.07212372583534 (0.000124436% change) - iteration 14: trace = 11.07210662375196 (0.000154461% change) - iteration 15: trace = 11.07200618513988 (0.000907136% change) - iteration 16: trace = 11.07178853906114 (0.00196575% change) - iteration 17: trace = 11.07169462080939 (0.00084827% change) - iteration 18: trace = 11.07167952477866 (0.000136348% change) - iteration 19: trace = 11.07167805420032 (1.32823e-05% change) - iteration 20: trace = 11.07167785750308 (1.77658e-06% change) - iteration 21: trace = 11.07167775260546 (9.47441e-07% change) - iteration 22: trace = 11.07167747653739 (2.49346e-06% change) - iteration 23: trace = 11.07167663022426 (7.64395e-06% change) - iteration 24: trace = 11.07167507867053 (1.40137e-05% change) - iteration 25: trace = 11.07167457522155 (4.54718e-06% change) - iteration 26: trace = 11.07167454094441 (3.09593e-07% change) - iteration 27: trace = 11.07167453787443 (2.77283e-08% change) - iteration 28: trace = 11.07167453688923 (8.89838e-09% change) - iteration 29: trace = 11.07167453601795 (7.86945e-09% change) - iteration 30: trace = 11.07167453215181 (3.49192e-08% change) - iteration 31: trace = 11.07167452172307 (9.41929e-08% change) - iteration 32: trace = 11.07167451533867 (5.76643e-08% change) - iteration 33: trace = 11.07167451387419 (1.32272e-08% change) - iteration 34: trace = 11.07167451369528 (1.61595e-09% change) - iteration 35: trace = 11.07167451368281 (1.1263e-10% change) - iteration 36: trace = 11.07167451367712 (5.14055e-11% change) -Finished solving for bands 2 to 8 after 36 iterations. + iteration 7: trace = 11.08219937825523 (0.00267622% change) + iteration 8: trace = 11.08039358543769 (0.0162959% change) + iteration 9: trace = 11.07371378641714 (0.060303% change) + iteration 10: trace = 11.07251001195336 (0.0108711% change) + iteration 11: trace = 11.07220213988643 (0.00278055% change) + iteration 12: trace = 11.0721370410847 (0.00058795% change) + iteration 13: trace = 11.07212327454404 (0.000124335% change) + iteration 14: trace = 11.07210625738671 (0.000153694% change) + iteration 15: trace = 11.0720067600361 (0.000898635% change) + iteration 16: trace = 11.07178884998929 (0.00196814% change) + iteration 17: trace = 11.07169482176479 (0.000849263% change) + iteration 18: trace = 11.07167953359295 (0.000138083% change) + iteration 19: trace = 11.07167804541289 (1.34413e-05% change) + iteration 20: trace = 11.07167784706736 (1.79147e-06% change) + iteration 21: trace = 11.07167774270743 (9.42585e-07% change) + iteration 22: trace = 11.07167747196109 (2.4454e-06% change) + iteration 23: trace = 11.0716766361234 (7.54933e-06% change) + iteration 24: trace = 11.07167509295639 (1.3938e-05% change) + iteration 25: trace = 11.07167457646363 (4.66499e-06% change) + iteration 26: trace = 11.07167454089923 (3.2122e-07% change) + iteration 27: trace = 11.07167453778178 (2.8157e-08% change) + iteration 28: trace = 11.07167453678993 (8.95845e-09% change) + iteration 29: trace = 11.0716745359257 (7.8058e-09% change) + iteration 30: trace = 11.07167453217439 (3.38821e-08% change) + iteration 31: trace = 11.07167452165328 (9.50272e-08% change) + iteration 32: trace = 11.07167451525155 (5.78208e-08% change) + iteration 33: trace = 11.07167451380846 (1.30341e-08% change) + iteration 34: trace = 11.07167451363771 (1.54226e-09% change) + iteration 35: trace = 11.07167451362768 (9.06174e-11% change) +Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 -elapsed time for k point: 0.003576517105102539 +elapsed time for k point: 0.05685997009277344 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... - linmin: converged after 7 iterations. - iteration 1: trace = 11.04206517571945 (0.320463% change) linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 53.7037%) - iteration 2: trace = 11.02780279959338 (0.129247% change) - iteration 3: trace = 11.02771393517148 (0.000805825% change) + iteration 1: trace = 11.04206453968148 (0.320454% change) + linmin: converged after 14 iterations. + switching to approximate line minimization (decrease time by 63.1169%) + iteration 2: trace = 11.02780183941199 (0.12925% change) switching back to exact line minimization - large trace change predicted (0.0933476%) - linmin: converged after 10 iterations. - iteration 4: trace = 11.0180770514757 (0.0874261% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01665354727847 (0.0129206% change) - linmin: converged after 7 iterations. - iteration 6: trace = 11.01541286571021 (0.0112625% change) - linmin: converged after 7 iterations. - iteration 7: trace = 11.01434823584341 (0.00966538% change) - linmin: converged after 6 iterations. - iteration 8: trace = 11.01353518814911 (0.00738199% change) - linmin: converged after 6 iterations. - iteration 9: trace = 11.01298187990253 (0.00502402% change) - linmin: converged after 5 iterations. - iteration 10: trace = 11.01261166456619 (0.00336168% change) + iteration 3: trace = 11.02771300085358 (0.00080559% change) + large trace change predicted (0.0517298%) + linmin: converged after 15 iterations. + switching to approximate line minimization (decrease time by 65.1613%) + iteration 4: trace = 11.01807571324773 (0.0874297% change) + iteration 5: trace = 11.01757273186041 (0.00456516% change) + iteration 6: trace = 11.01365428178883 (0.0355718% change) + iteration 7: trace = 11.0112335301989 (0.021982% change) + iteration 8: trace = 11.00913660704941 (0.0190453% change) + iteration 9: trace = 11.00802932323721 (0.0100584% change) + iteration 10: trace = 11.0075091209745 (0.00472577% change) + iteration 11: trace = 11.00723564583363 (0.00248447% change) + iteration 12: trace = 11.00705433536674 (0.00164721% change) + iteration 13: trace = 11.00691869950401 (0.00123227% change) + iteration 14: trace = 11.00681095561962 (0.000978879% change) + iteration 15: trace = 11.00672184845883 (0.000809567% change) + iteration 16: trace = 11.00664570829443 (0.000691763% change) + iteration 17: trace = 11.00657875705912 (0.000608282% change) + iteration 18: trace = 11.00651831417391 (0.000549154% change) + iteration 19: trace = 11.00646236272277 (0.00050835% change) + iteration 20: trace = 11.00640929199204 (0.000482179% change) + iteration 21: trace = 11.00635773446358 (0.000468433% change) + iteration 22: trace = 11.00630645687549 (0.000465892% change) + iteration 23: trace = 11.00625428495951 (0.00047402% change) + iteration 24: trace = 11.00620004876259 (0.000492777% change) + iteration 25: trace = 11.00614254509975 (0.000522467% change) + iteration 26: trace = 11.00608051440121 (0.000563602% change) + iteration 27: trace = 11.00601263372094 (0.000616758% change) + iteration 28: trace = 11.00593752756422 (0.000682413% change) + iteration 29: trace = 11.00585379775965 (0.000760772% change) + iteration 30: trace = 11.00576007119822 (0.00085161% change) + iteration 31: trace = 11.00565506182207 (0.000954136% change) + iteration 32: trace = 11.00553764054838 (0.00106692% change) + iteration 33: trace = 11.00540690922061 (0.00118788% change) + iteration 34: trace = 11.00526227762733 (0.0013142% change) + iteration 35: trace = 11.00510354714411 (0.00144232% change) + iteration 36: trace = 11.00493100390553 (0.00156786% change) + switching back to exact line minimization + iteration 37: trace = 11.00474551673852 (0.00168551% change) + linmin: converged after 8 iterations. + switching to approximate line minimization (decrease time by 54.0193%) + iteration 38: trace = 11.00454771546015 (0.00179743% change) + iteration 39: trace = 11.00436920158432 (0.0016222% change) + iteration 40: trace = 11.00415890821709 (0.00191102% change) + iteration 41: trace = 11.00394413962241 (0.00195172% change) + iteration 42: trace = 11.00372859615298 (0.0019588% change) + iteration 43: trace = 11.00351619270492 (0.0019303% change) + iteration 44: trace = 11.00330946978709 (0.00187872% change) + iteration 45: trace = 11.0031101545423 (0.00181143% change) + iteration 46: trace = 11.00291920465243 (0.00173543% change) + iteration 47: trace = 11.00273697152258 (0.00165624% change) + switching back to exact line minimization + iteration 48: trace = 11.00256338972418 (0.00157764% change) linmin: converged after 7 iterations. - iteration 11: trace = 11.01235387426688 (0.00234089% change) - linmin: converged after 6 iterations. - iteration 12: trace = 11.01216515220463 (0.00171375% change) - linmin: converged after 6 iterations. - iteration 13: trace = 11.01202044355579 (0.00131409% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.01190490326328 (0.00104923% change) - linmin: converged after 5 iterations. - iteration 15: trace = 11.01180931248924 (0.000868071% change) - linmin: converged after 5 iterations. - iteration 16: trace = 11.01172766992424 (0.000741412% change) - linmin: converged after 5 iterations. - iteration 17: trace = 11.01165588562031 (0.000651892% change) - linmin: converged after 5 iterations. - iteration 18: trace = 11.01159104126458 (0.000588872% change) - linmin: converged after 6 iterations. - iteration 19: trace = 11.01153095105778 (0.000545701% change) - linmin: converged after 5 iterations. - iteration 20: trace = 11.01147389088471 (0.000518187% change) - linmin: converged after 5 iterations. - iteration 21: trace = 11.01141842314176 (0.000503728% change) - linmin: converged after 5 iterations. - iteration 22: trace = 11.011363279846 (0.000500784% change) - linmin: converged after 5 iterations. - iteration 23: trace = 11.01130728073259 (0.000508559% change) - linmin: converged after 5 iterations. - iteration 24: trace = 11.01124927568334 (0.000526779% change) + iteration 49: trace = 11.00239769309936 (0.00150599% change) linmin: converged after 5 iterations. - iteration 25: trace = 11.01118810420657 (0.000555538% change) - linmin: converged after 5 iterations. - iteration 26: trace = 11.01112256970498 (0.000595165% change) + iteration 50: trace = 11.00225666697838 (0.00128178% change) linmin: converged after 6 iterations. - iteration 27: trace = 11.01105142821515 (0.00064609% change) - linmin: converged after 5 iterations. - iteration 28: trace = 11.01097339242094 (0.000708707% change) - linmin: converged after 5 iterations. - iteration 29: trace = 11.01088715131547 (0.000783232% change) + iteration 51: trace = 11.00212161598597 (0.00122749% change) linmin: converged after 5 iterations. - iteration 30: trace = 11.0107914060294 (0.000869555% change) + iteration 52: trace = 11.00199233563315 (0.00117506% change) linmin: converged after 6 iterations. - iteration 31: trace = 11.0106849180708 (0.000967128% change) + iteration 53: trace = 11.00186858403133 (0.00112482% change) linmin: converged after 6 iterations. - iteration 32: trace = 11.01056656925716 (0.00107486% change) + iteration 54: trace = 11.001750187424 (0.00107616% change) linmin: converged after 6 iterations. - iteration 33: trace = 11.01043541364287 (0.00119119% change) - linmin: converged after 6 iterations. - iteration 34: trace = 11.01029074206602 (0.00131396% change) - linmin: converged after 7 iterations. - iteration 35: trace = 11.01013213672338 (0.00144053% change) - linmin: converged after 7 iterations. - iteration 36: trace = 11.00995953386277 (0.00156769% change) - linmin: converged after 5 iterations. - iteration 37: trace = 11.00977329311963 (0.00169158% change) - linmin: converged after 5 iterations. - iteration 38: trace = 11.00957423839051 (0.001808% change) - linmin: converged after 6 iterations. - iteration 39: trace = 11.00936387282796 (0.00191077% change) - linmin: converged after 5 iterations. - iteration 40: trace = 11.00914432759653 (0.00199419% change) - linmin: converged after 6 iterations. - iteration 41: trace = 11.0089183703355 (0.00205247% change) - linmin: converged after 9 iterations. - iteration 42: trace = 11.00868924182022 (0.00208132% change) - linmin: converged after 5 iterations. - iteration 43: trace = 11.00846045179156 (0.00207829% change) - linmin: converged after 8 iterations. - iteration 44: trace = 11.00823497316162 (0.00204825% change) - linmin: converged after 6 iterations. - iteration 45: trace = 11.00801560513369 (0.00199278% change) - linmin: converged after 7 iterations. - iteration 46: trace = 11.00780404143223 (0.00192192% change) - linmin: converged after 8 iterations. - iteration 47: trace = 11.00760148329401 (0.00184015% change) + iteration 55: trace = 11.00163697354434 (0.00102906% change) linmin: converged after 7 iterations. - iteration 48: trace = 11.0074082746179 (0.00175524% change) - linmin: converged after 5 iterations. - iteration 49: trace = 11.00722432784486 (0.00167113% change) + iteration 56: trace = 11.00152880557026 (0.000983204% change) linmin: converged after 7 iterations. - iteration 50: trace = 11.00704921934516 (0.00159086% change) - linmin: converged after 6 iterations. - iteration 51: trace = 11.00688244550208 (0.00151517% change) - linmin: converged after 6 iterations. - iteration 52: trace = 11.00672333233266 (0.00144559% change) - linmin: converged after 6 iterations. - iteration 53: trace = 11.00657129813051 (0.00138129% change) - linmin: converged after 6 iterations. - iteration 54: trace = 11.00642574585819 (0.00132242% change) - linmin: converged after 6 iterations. - iteration 55: trace = 11.00628616129125 (0.00126822% change) - linmin: converged after 6 iterations. - iteration 56: trace = 11.00615208952206 (0.00121815% change) + switching to approximate line minimization (decrease time by 51.0504%) + iteration 57: trace = 11.00142556614113 (0.000938414% change) + iteration 58: trace = 11.00132728007372 (0.000893398% change) + iteration 59: trace = 11.00122658638077 (0.000915291% change) + iteration 60: trace = 11.00113094819547 (0.000869345% change) + iteration 61: trace = 11.00104042131535 (0.00082289% change) + iteration 62: trace = 11.00095493027376 (0.000777121% change) + iteration 63: trace = 11.00087426718924 (0.00073324% change) + iteration 64: trace = 11.00079819924363 (0.000691474% change) + iteration 65: trace = 11.00072647616621 (0.000651983% change) + iteration 66: trace = 11.00065883838247 (0.00061485% change) + iteration 67: trace = 11.0005950174115 (0.000580158% change) + iteration 68: trace = 11.00053474361738 (0.000547915% change) + iteration 69: trace = 11.00047774822372 (0.000518116% change) + resetting CG direction... + switching back to exact line minimization + large trace change predicted (2.26289%) + linmin: converged after 71 iterations. + iteration 70: trace = 11.00047774840803 (1.67553e-09% change) + large trace change predicted (0.0690639%) linmin: converged after 7 iterations. - iteration 57: trace = 11.0060231674577 (0.00117137% change) + iteration 71: trace = 10.9928533256438 (0.069334% change) linmin: converged after 7 iterations. - iteration 58: trace = 11.00589908318859 (0.00112743% change) - linmin: converged after 5 iterations. - iteration 59: trace = 11.00577957932565 (0.00108582% change) - linmin: converged after 6 iterations. - iteration 60: trace = 11.00566444576149 (0.00104612% change) - linmin: converged after 5 iterations. - iteration 61: trace = 11.00555350795941 (0.00100801% change) + iteration 72: trace = 10.9916041335376 (0.0113643% change) linmin: converged after 7 iterations. - iteration 62: trace = 11.00544661922243 (0.00097123% change) + iteration 73: trace = 10.99054334778603 (0.00965134% change) linmin: converged after 5 iterations. - iteration 63: trace = 11.00534365311074 (0.000935597% change) - linmin: converged after 5 iterations. - iteration 64: trace = 11.00524449516395 (0.000901002% change) + iteration 74: trace = 10.98869455971425 (0.016823% change) linmin: converged after 7 iterations. - iteration 65: trace = 11.00514903761223 (0.000867386% change) + iteration 75: trace = 10.98811603348879 (0.00526488% change) + linmin: converged after 9 iterations. + iteration 76: trace = 10.98804672365349 (0.000630773% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.00505717735739 (0.000834706% change) + iteration 77: trace = 10.98803155225896 (0.000138072% change) linmin: converged after 8 iterations. - iteration 67: trace = 11.0049688034358 (0.000803033% change) - linmin: converged after 5 iterations. - iteration 68: trace = 11.00488380735937 (0.000772346% change) - linmin: converged after 5 iterations. - iteration 69: trace = 11.00480207443335 (0.0007427% change) - resetting CG direction... - large trace change predicted (0.115632%) - linmin: converged after 6 iterations. - iteration 70: trace = 10.99201754160869 (0.11624% change) - linmin: converged after 6 iterations. - iteration 71: trace = 10.99061975130357 (0.0127172% change) - linmin: converged after 5 iterations. - iteration 72: trace = 10.98948395851989 (0.0103347% change) - linmin: converged after 7 iterations. - iteration 73: trace = 10.98818699095862 (0.0118026% change) - linmin: converged after 11 iterations. - iteration 74: trace = 10.98802561718052 (0.00146862% change) - linmin: converged after 5 iterations. - iteration 75: trace = 10.98801515922397 (9.5176e-05% change) + iteration 78: trace = 10.98802753580862 (3.6553e-05% change) + linmin: converged after 4 iterations. + iteration 79: trace = 10.98802383074246 (3.37191e-05% change) linmin: converged after 6 iterations. - iteration 76: trace = 10.98801412710668 (9.39312e-06% change) + iteration 80: trace = 10.98801739527572 (5.8568e-05% change) linmin: converged after 4 iterations. - iteration 77: trace = 10.9880140963487 (2.79923e-07% change) - linmin: converged after 3 iterations. - iteration 78: trace = 10.9880140931361 (2.92373e-08% change) - linmin: converged after 5 iterations. - iteration 79: trace = 10.98801409314922 (1.19437e-10% change) - large trace change predicted (5.39425e-10%) - linmin: converged after 3 iterations. - iteration 80: trace = 10.98801409312087 (2.58079e-10% change) - large trace change predicted (7.16165e-10%) - linmin: converged after 3 iterations. - iteration 81: trace = 10.98801409307904 (3.80652e-10% change) + iteration 81: trace = 10.98801478407598 (2.37641e-05% change) linmin: converged after 4 iterations. - iteration 82: trace = 10.9880140930625 (1.50557e-10% change) - linmin: converged after 3 iterations. - iteration 83: trace = 10.98801409297193 (8.24272e-10% change) + iteration 82: trace = 10.98801425714043 (4.79555e-06% change) + linmin: converged after 13 iterations. + iteration 83: trace = 10.98801415897268 (8.93408e-07% change) linmin: converged after 3 iterations. - iteration 84: trace = 10.98801409292646 (4.13793e-10% change) - linmin: converged after 10 iterations. - iteration 85: trace = 10.98801409301239 (7.82062e-10% change) + iteration 84: trace = 10.98801414139509 (1.59971e-07% change) linmin: converged after 4 iterations. - iteration 86: trace = 10.98801409290933 (9.37953e-10% change) + iteration 85: trace = 10.98801413048567 (9.92848e-08% change) + large trace change predicted (2.06207e-07%) linmin: converged after 4 iterations. - iteration 87: trace = 10.98801409288131 (2.54991e-10% change) + iteration 86: trace = 10.98801410787532 (2.05773e-07% change) linmin: converged after 5 iterations. - iteration 88: trace = 10.98801409291042 (2.64901e-10% change) + iteration 87: trace = 10.98801409708326 (9.82167e-08% change) + linmin: converged after 3 iterations. + iteration 88: trace = 10.98801409375671 (3.02743e-08% change) linmin: converged after 4 iterations. - iteration 89: trace = 10.98801409287826 (2.92707e-10% change) + iteration 89: trace = 10.98801409324814 (4.62842e-09% change) linmin: converged after 5 iterations. - iteration 90: trace = 10.98801409291454 (3.30213e-10% change) - linmin: converged after 4 iterations. - iteration 91: trace = 10.98801409295369 (3.56306e-10% change) - linmin: converged after 36 iterations. - iteration 92: trace = 10.98801409307939 (1.14399e-09% change) - linmin: converged after 4 iterations. - iteration 93: trace = 10.98801409310837 (2.63705e-10% change) - linmin: converged after 6 iterations. - iteration 94: trace = 10.98801409306274 (4.15248e-10% change) - linmin: converged after 6 iterations. - iteration 95: trace = 10.98801409297453 (8.02787e-10% change) - linmin: converged after 4 iterations. - iteration 96: trace = 10.98801409293285 (3.79359e-10% change) - linmin: converged after 4 iterations. - iteration 97: trace = 10.98801409293285 (0% change) -Finished solving for bands 1 to 8 after 97 iterations. + iteration 90: trace = 10.98801409306602 (1.65737e-09% change) + linmin: converged after 3 iterations. + iteration 91: trace = 10.98801409307204 (5.47715e-11% change) +Finished solving for bands 1 to 8 after 91 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 -elapsed time for k point: 0.015934228897094727 +elapsed time for k point: 0.20479202270507812 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 10.9037604689753 (0.00793522% change) - linmin: converged after 3 iterations. - iteration 2: trace = 10.90359830953052 (0.0014872% change) - linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 57.2222%) - iteration 3: trace = 10.90350960476494 (0.00081354% change) - iteration 4: trace = 10.90345231130984 (0.00052546% change) - iteration 5: trace = 10.90344655642725 (5.27804e-05% change) - iteration 6: trace = 10.90344608673124 (4.30778e-06% change) - iteration 7: trace = 10.90344605028353 (3.34277e-07% change) - iteration 8: trace = 10.9034460484781 (1.65583e-08% change) - iteration 9: trace = 10.90344604785685 (5.69775e-09% change) - iteration 10: trace = 10.90344604734796 (4.66725e-09% change) - iteration 11: trace = 10.90344604730576 (3.86993e-10% change) - iteration 12: trace = 10.90344604730431 (1.33103e-11% change) + switching to approximate line minimization (decrease time by 63.1707%) + iteration 1: trace = 10.90376010092897 (0.00793312% change) + iteration 2: trace = 10.90359839014423 (0.00148308% change) + iteration 3: trace = 10.90350976061277 (0.00081285% change) + iteration 4: trace = 10.90345236894227 (0.000526361% change) + iteration 5: trace = 10.90344657542449 (5.31347e-05% change) + iteration 6: trace = 10.90344609592351 (4.3977e-06% change) + iteration 7: trace = 10.90344605641847 (3.62317e-07% change) + iteration 8: trace = 10.90344605253121 (3.56517e-08% change) + iteration 9: trace = 10.90344604856776 (3.63504e-08% change) + iteration 10: trace = 10.90344604736138 (1.10642e-08% change) + iteration 11: trace = 10.90344604730769 (4.92466e-10% change) + iteration 12: trace = 10.90344604730487 (2.58386e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.0014896392822265625 +elapsed time for k point: 0.033095598220825195 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.82874319248099 (0.00713652% change) - linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179318098 (0.000844047% change) - linmin: converged after 4 iterations. - iteration 3: trace = 10.82863914684248 (0.000116786% change) - linmin: converged after 5 iterations. - iteration 4: trace = 10.82863201438445 (6.58666e-05% change) - linmin: converged after 5 iterations. - iteration 5: trace = 10.82863047384864 (1.42265e-05% change) - linmin: converged after 2 iterations. - iteration 6: trace = 10.82863033630221 (1.27021e-06% change) - linmin: converged after 2 iterations. - iteration 7: trace = 10.82863032427763 (1.11044e-07% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.7066e-09% change) - linmin: converged after 2 iterations. - iteration 9: trace = 10.8286303237533 (1.35532e-10% change) - linmin: converged after 4 iterations. - iteration 10: trace = 10.82863032375297 (2.98558e-12% change) -Finished solving for bands 1 to 8 after 10 iterations. + switching to approximate line minimization (decrease time by 64.5833%) + iteration 1: trace = 10.82874319845828 (0.00713667% change) + iteration 2: trace = 10.82865181757506 (0.000843877% change) + iteration 3: trace = 10.82863915209735 (0.000116963% change) + iteration 4: trace = 10.82863201847331 (6.58774e-05% change) + iteration 5: trace = 10.82863047565258 (1.42476e-05% change) + iteration 6: trace = 10.82863033669786 (1.28322e-06% change) + iteration 7: trace = 10.82863032444757 (1.13129e-07% change) + iteration 8: trace = 10.82863032387197 (5.31552e-09% change) + iteration 9: trace = 10.82863032380566 (6.12387e-10% change) + iteration 10: trace = 10.82863032375878 (4.32876e-10% change) + iteration 11: trace = 10.82863032375313 (5.21984e-11% change) +Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 -elapsed time for k point: 0.001608133316040039 +elapsed time for k point: 0.03289532661437988 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.76383414066029 (0.00702665% change) + iteration 1: trace = 10.76383414136122 (0.00702671% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.76375283235572 (0.000755387% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.76374658323257 (5.80571e-05% change) + iteration 2: trace = 10.76375283233743 (0.000755394% change) linmin: converged after 4 iterations. - iteration 4: trace = 10.76374528581931 (1.20535e-05% change) - linmin: converged after 5 iterations. - iteration 5: trace = 10.76374486740369 (3.88727e-06% change) + iteration 3: trace = 10.76374658320918 (5.80572e-05% change) + linmin: converged after 4 iterations. + iteration 4: trace = 10.76374528581612 (1.20534e-05% change) + linmin: converged after 4 iterations. + iteration 5: trace = 10.76374486740383 (3.88724e-06% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.76374482182858 (4.23413e-07% change) + iteration 6: trace = 10.76374482182855 (4.23415e-07% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.76374481723281 (4.26968e-08% change) + iteration 7: trace = 10.76374481723281 (4.26965e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.76374481699274 (5.61107e-11% change) + iteration 9: trace = 10.76374481699274 (5.61272e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 -elapsed time for k point: 0.0014677047729492188 +elapsed time for k point: 0.003470897674560547 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918978468 (0.00701169% change) + iteration 1: trace = 10.7089091897821 (0.00701169% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.70883098425318 (0.000730287% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.70882611989464 (4.54238e-05% change) + iteration 2: trace = 10.70883098425238 (0.000730287% change) + linmin: converged after 6 iterations. + iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.70882574797975 (3.47298e-06% change) + iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389909 (9.71915e-07% change) + iteration 5: trace = 10.70882564389909 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792912 (1.54008e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.70882562781417 (1.07346e-09% change) + iteration 8: trace = 10.70882562781417 (1.07343e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.69883e-11% change) + switching to approximate line minimization (decrease time by 52.6144%) + iteration 9: trace = 10.70882562781128 (2.70215e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 -elapsed time for k point: 0.0014226436614990234 +elapsed time for k point: 0.007431507110595703 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) - linmin: converged after 5 iterations. + linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.6638849780741 (1.68249e-06% change) + iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718303 (4.10244e-09% change) + iteration 7: trace = 10.66388494718304 (4.10242e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713199 (4.78692e-10% change) + iteration 8: trace = 10.66388494713198 (4.78742e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.66388494713049 (1.40424e-11% change) + iteration 9: trace = 10.66388494713049 (1.40091e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 -elapsed time for k point: 0.0014011859893798828 +elapsed time for k point: 0.007302284240722656 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.6289323953069 (0.000716955% change) + iteration 2: trace = 10.62893239530691 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.62892804707553 (8.71057e-08% change) + iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.62892804604186 (9.72507e-09% change) + iteration 6: trace = 10.62892804604186 (9.72512e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.62892804597542 (6.2508e-10% change) + iteration 7: trace = 10.62892804597542 (6.25047e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.62892804596423 (1.05272e-10% change) + iteration 8: trace = 10.62892804596423 (1.05289e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.62892804596352 (6.73513e-12% change) + iteration 9: trace = 10.62892804596352 (6.71841e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 -elapsed time for k point: 0.001399993896484375 +elapsed time for k point: 0.0031709671020507812 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) - linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 58.7209%) + linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) - iteration 3: trace = 10.60395764730977 (3.88332e-05% change) - iteration 4: trace = 10.60395754101102 (1.00244e-06% change) - iteration 5: trace = 10.60395753615697 (4.57758e-08% change) - iteration 6: trace = 10.60395753572879 (4.03794e-09% change) - iteration 7: trace = 10.60395753570917 (1.85057e-10% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.6039576473093 (3.88332e-05% change) + linmin: converged after 2 iterations. + iteration 4: trace = 10.60395754101094 (1.00244e-06% change) + linmin: converged after 2 iterations. + iteration 5: trace = 10.60395753615697 (4.57751e-08% change) + linmin: converged after 2 iterations. + iteration 6: trace = 10.60395753572879 (4.03789e-09% change) + linmin: converged after 2 iterations. + iteration 7: trace = 10.60395753570917 (1.85041e-10% change) + linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.46763e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 -elapsed time for k point: 0.0010957717895507812 +elapsed time for k point: 0.0030066967010498047 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58905458874334 (0.00704958% change) + iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638349 (0.000714253% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.58897488550179 (3.84445e-05% change) - linmin: converged after 2 iterations. - iteration 4: trace = 10.58897478737543 (9.26684e-07% change) - linmin: converged after 2 iterations. - iteration 5: trace = 10.58897478401991 (3.16889e-08% change) - linmin: converged after 2 iterations. - iteration 6: trace = 10.58897478378886 (2.18196e-09% change) - linmin: converged after 2 iterations. + switching to approximate line minimization (decrease time by 56.3025%) + iteration 2: trace = 10.58897895638372 (0.000714253% change) + iteration 3: trace = 10.58897488550218 (3.84445e-05% change) + iteration 4: trace = 10.5889747873755 (9.26687e-07% change) + iteration 5: trace = 10.58897478401992 (3.16894e-08% change) + iteration 6: trace = 10.58897478378886 (2.18209e-09% change) iteration 7: trace = 10.58897478377235 (1.55945e-10% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377203 (2.93572e-12% change) + iteration 8: trace = 10.58897478377203 (2.96927e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 -elapsed time for k point: 0.00127410888671875 +elapsed time for k point: 0.01150965690612793 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58406017889885 (0.00705116% change) + iteration 1: trace = 10.58406017889665 (0.00705116% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58398461985988 (0.000713897% change) + iteration 2: trace = 10.58398461985964 (0.000713897% change) linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 54.6584%) iteration 3: trace = 10.58398056403726 (3.83204e-05% change) - linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) - linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80563e-08% change) + switching back to exact line minimization + iteration 6: trace = 10.58398046493152 (1.56376e-09% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56375e-09% change) - linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34922e-10% change) + iteration 7: trace = 10.58398046491725 (1.34905e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491709 (1.49373e-12% change) + iteration 8: trace = 10.58398046491708 (1.52729e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 -.elapsed time for k point: 0.001260519027709961 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820315 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.3064030262308451 at Vector3<0.5, 0.0, 0.0> to 0.46877485258677126 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501319671 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541647 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437279 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648147756 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025898 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.266656686185508 at Vector3<0.5, 0.0, 0.0> to 1.4970379696969367 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.5115800994651423 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910522 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072007239114 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820315) to band 2 (0.3064030262308451), 44.546421284286275% -Gap from band 2 (0.46877485258677126) to band 3 (0.5466257501319671), 15.334026262491836% -Gap from band 3 (0.7316504426541647) to band 4 (0.7842615905093817), 6.941187444158379% -Gap from band 4 (0.9893486155437279) to band 5 (1.0240548648147756), 3.4475205401818383% -Gap from band 5 (1.2440980042025898) to band 6 (1.266656686185508), 1.7969642410132252% -Gap from band 6 (1.4970379696969367) to band 7 (1.5115800994651423), 0.9666982936292511% -Gap from band 7 (1.7488359039910522) to band 8 (1.7581683208483643), 0.5322158890606666% -total elapsed time for run: 0.03560376167297363 +.elapsed time for k point: 0.002481222152709961 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.3064030262308443 at Vector3<0.5, 0.0, 0.0> to 0.46877485258665363 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5466257501315076 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093807 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436902 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.024054864814716 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025869 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967027 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.5115800994651107 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910497 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483638 at Vector3<0.5, 0.0, 0.0> to 1.999907200712497 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820304) to band 2 (0.3064030262308443), 44.54642128428609% +Gap from band 2 (0.46877485258665363) to band 3 (0.5466257501315076), 15.334026262433209% +Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093807), 6.941187444158372% +Gap from band 4 (0.9893486155436902) to band 5 (1.024054864814716), 3.4475205401798323% +Gap from band 5 (1.2440980042025869) to band 6 (1.266656686185507), 1.7969642410133873% +Gap from band 6 (1.4970379696967027) to band 7 (1.5115800994651107), 0.966698293642798% +Gap from band 7 (1.7488359039910497) to band 8 (1.7581683208483638), 0.532215889060781% +total elapsed time for run: 0.4706714153289795 done -/tmp/meepFBAM2J/test_bragg_sine-0: 0.04s +/tmp/meepYM7cP9/test_bragg_sine-0: 0.49s -/tmp/meepFBAM2J/test_compute_field_energy-0 +/tmp/meepYM7cP9/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6815,7 +6784,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.00165557861328125 +elapsed time for initialization: 0.01233816146850586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -6926,7 +6895,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14252042770385742 +elapsed time for k point: 2.129030466079712 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7177,7 +7146,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.43862104415893555 +elapsed time for k point: 9.646563291549683 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7234,7 +7203,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09358334541320801 +elapsed time for k point: 1.3842582702636719 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7287,7 +7256,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08686447143554688 +elapsed time for k point: 1.2986199855804443 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7348,7 +7317,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10115575790405273 +elapsed time for k point: 0.7573120594024658 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7441,7 +7410,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15643000602722168 +elapsed time for k point: 2.3032517433166504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7512,7 +7481,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11791586875915527 +elapsed time for k point: 2.3107168674468994 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7573,7 +7542,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10086846351623535 +elapsed time for k point: 1.9834604263305664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7626,7 +7595,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08663654327392578 +elapsed time for k point: 1.425734281539917 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7678,7 +7647,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08432149887084961 +elapsed time for k point: 1.3707375526428223 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7730,7 +7699,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08300995826721191 +elapsed time for k point: 1.205918312072754 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7771,7 +7740,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06568264961242676 +elapsed time for k point: 1.021543025970459 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7818,7 +7787,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07610464096069336 +elapsed time for k point: 1.1438398361206055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7881,7 +7850,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1041417121887207 +elapsed time for k point: 1.3204009532928467 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7954,7 +7923,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12189626693725586 +elapsed time for k point: 1.2770380973815918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8149,7 +8118,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2521073818206787 +elapsed time for k point: 1.02024245262146 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -8161,13 +8130,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1149768829345703 +total elapsed time for run: 31.643897771835327 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepFBAM2J/test_compute_field_energy-0: 2.12s +./tmp/meepYM7cP9/test_compute_field_energy-0: 31.67s -/tmp/meepFBAM2J/test_compute_group_velocity-0 +/tmp/meepYM7cP9/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8210,7 +8179,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015666484832763672 +elapsed time for initialization: 0.012429952621459961 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -8321,7 +8290,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14207863807678223 +elapsed time for k point: 0.8549776077270508 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8572,7 +8541,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4276158809661865 +elapsed time for k point: 4.438878536224365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8629,7 +8598,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09370088577270508 +elapsed time for k point: 0.8408718109130859 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8682,7 +8651,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08678150177001953 +elapsed time for k point: 1.061457633972168 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8743,7 +8712,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10112285614013672 +elapsed time for k point: 1.249284029006958 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8836,7 +8805,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15671753883361816 +elapsed time for k point: 1.933985948562622 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8907,7 +8876,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11805438995361328 +elapsed time for k point: 1.2681751251220703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8968,7 +8937,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10089421272277832 +elapsed time for k point: 1.0688607692718506 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9021,7 +8990,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08663034439086914 +elapsed time for k point: 0.7947580814361572 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9073,7 +9042,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08325529098510742 +elapsed time for k point: 0.5552585124969482 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9125,7 +9094,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08301782608032227 +elapsed time for k point: 0.8350625038146973 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9166,7 +9135,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06577277183532715 +elapsed time for k point: 0.754626989364624 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9213,7 +9182,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07752370834350586 +elapsed time for k point: 0.7731056213378906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9276,7 +9245,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10425043106079102 +elapsed time for k point: 1.0200238227844238 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9349,7 +9318,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12186264991760254 +elapsed time for k point: 0.5877995491027832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9544,7 +9513,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.25205469131469727 +.elapsed time for k point: 2.223787546157837 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -9556,11 +9525,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1043541431427 +total elapsed time for run: 20.276565074920654 done -/tmp/meepFBAM2J/test_compute_group_velocity-0: 2.11s +/tmp/meepYM7cP9/test_compute_group_velocity-0: 20.29s -/tmp/meepFBAM2J/test_compute_integrals-0 +/tmp/meepYM7cP9/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9603,7 +9572,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016412734985351562 +elapsed time for initialization: 0.01835799217224121 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -9714,7 +9683,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14267992973327637 +elapsed time for k point: 1.2873408794403076 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9965,7 +9934,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4285774230957031 +elapsed time for k point: 5.779906272888184 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10022,7 +9991,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09406447410583496 +elapsed time for k point: 0.737501859664917 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10075,7 +10044,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08750224113464355 +elapsed time for k point: 0.760944128036499 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10136,7 +10105,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10080623626708984 +elapsed time for k point: 0.7617201805114746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10229,7 +10198,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15682148933410645 +elapsed time for k point: 0.865443229675293 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10300,7 +10269,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11831521987915039 +elapsed time for k point: 1.4545629024505615 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10361,7 +10330,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10126876831054688 +elapsed time for k point: 1.077078104019165 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10414,7 +10383,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0870964527130127 +elapsed time for k point: 1.1351864337921143 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10466,7 +10435,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0839548110961914 +elapsed time for k point: 0.6590268611907959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10518,7 +10487,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08337759971618652 +elapsed time for k point: 0.6096739768981934 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10559,7 +10528,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06594109535217285 +elapsed time for k point: 0.7453856468200684 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10606,7 +10575,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07646489143371582 +elapsed time for k point: 0.953669548034668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10669,7 +10638,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10452628135681152 +elapsed time for k point: 1.1814427375793457 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10742,7 +10711,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1221761703491211 +elapsed time for k point: 1.2957422733306885 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10937,7 +10906,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2519662380218506 +elapsed time for k point: 2.5931460857391357 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -10949,14 +10918,14 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.108715295791626 +total elapsed time for run: 21.935835123062134 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 -./tmp/meepFBAM2J/test_compute_integrals-0: 2.11s +./tmp/meepYM7cP9/test_compute_integrals-0: 21.97s -/tmp/meepFBAM2J/test_diamond-0 +/tmp/meepYM7cP9/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -11016,7 +10985,7 @@ Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> -elapsed time for initialization: 0.02442479133605957 +elapsed time for initialization: 0.2795538902282715 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... @@ -11133,7 +11102,7 @@ iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.408428430557251 +elapsed time for k point: 6.732161521911621 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11207,7 +11176,7 @@ iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 -elapsed time for k point: 0.258709192276001 +elapsed time for k point: 4.9543046951293945 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11272,7 +11241,7 @@ iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 -elapsed time for k point: 0.22834539413452148 +elapsed time for k point: 3.800631046295166 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11335,7 +11304,7 @@ iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 -elapsed time for k point: 0.2204756736755371 +elapsed time for k point: 2.527355432510376 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11396,7 +11365,7 @@ iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 -elapsed time for k point: 0.21355295181274414 +elapsed time for k point: 2.974879026412964 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11495,26 +11464,26 @@ iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 -elapsed time for k point: 0.3395874500274658 +elapsed time for k point: 3.3295464515686035 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 -Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 -Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 -Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 -Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 -Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11609,7 +11578,7 @@ iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 -elapsed time for k point: 0.33191609382629395 +elapsed time for k point: 2.1923775672912598 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11761,2366 +11730,2395 @@ linmin: converged after 4 iterations. iteration 71: trace = 0.9844601746300234 (0.0199223% change) linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 55.0263%) iteration 72: trace = 0.9843700916746623 (0.00915091% change) - iteration 73: trace = 0.9843454551658701 (0.0025028% change) - iteration 74: trace = 0.9843309741360176 (0.00147114% change) - iteration 75: trace = 0.9843269359739925 (0.000410245% change) - iteration 76: trace = 0.9843259254952034 (0.000102657% change) - iteration 77: trace = 0.9843252602722019 (6.75816e-05% change) - iteration 78: trace = 0.9843249585536633 (3.06523e-05% change) - iteration 79: trace = 0.9843248269988087 (1.3365e-05% change) - iteration 80: trace = 0.98432476421352 (6.37851e-06% change) - iteration 81: trace = 0.9843247334123673 (3.12917e-06% change) - iteration 82: trace = 0.984324723962157 (9.6007e-07% change) - iteration 83: trace = 0.9843247200124078 (4.01265e-07% change) - iteration 84: trace = 0.9843247177615019 (2.28675e-07% change) - iteration 85: trace = 0.9843247140390904 (3.78169e-07% change) - iteration 86: trace = 0.9843247059908917 (8.17637e-07% change) - iteration 87: trace = 0.9843246878856029 (1.83936e-06% change) - iteration 88: trace = 0.9843246566643047 (3.17185e-06% change) - iteration 89: trace = 0.9843246205399492 (3.66996e-06% change) - iteration 90: trace = 0.9843246064847049 (1.42791e-06% change) - iteration 91: trace = 0.9843246017402523 (4.82001e-07% change) - iteration 92: trace = 0.9843246002807224 (1.48277e-07% change) - iteration 93: trace = 0.9843245999238864 (3.62519e-08% change) - iteration 94: trace = 0.9843245998039818 (1.21814e-08% change) - iteration 95: trace = 0.9843245997561044 (4.86398e-09% change) - iteration 96: trace = 0.9843245997430989 (1.32126e-09% change) - iteration 97: trace = 0.9843245997404488 (2.69231e-10% change) - iteration 98: trace = 0.9843245997396497 (8.11865e-11% change) + linmin: converged after 4 iterations. + iteration 73: trace = 0.9843454551516437 (0.0025028% change) + linmin: converged after 5 iterations. + iteration 74: trace = 0.9843309741606924 (0.00147114% change) + linmin: converged after 3 iterations. + iteration 75: trace = 0.9843269359841216 (0.000410247% change) + linmin: converged after 3 iterations. + iteration 76: trace = 0.9843259254957233 (0.000102658% change) + linmin: converged after 3 iterations. + iteration 77: trace = 0.984325260278889 (6.7581e-05% change) + linmin: converged after 16 iterations. + iteration 78: trace = 0.9843249585574556 (3.06526e-05% change) + linmin: converged after 3 iterations. + iteration 79: trace = 0.9843248270013296 (1.33651e-05% change) + linmin: converged after 2 iterations. + iteration 80: trace = 0.9843247642150001 (6.37862e-06% change) + linmin: converged after 21 iterations. + iteration 81: trace = 0.9843247334132978 (3.12922e-06% change) + linmin: converged after 3 iterations. + iteration 82: trace = 0.9843247239626907 (9.60111e-07% change) + linmin: converged after 3 iterations. + iteration 83: trace = 0.9843247200126927 (4.0129e-07% change) + linmin: converged after 5 iterations. + iteration 84: trace = 0.9843247177619137 (2.28662e-07% change) + linmin: converged after 13 iterations. + iteration 85: trace = 0.9843247140405498 (3.78063e-07% change) + large trace change predicted (8.17085e-07%) + linmin: converged after 3 iterations. + iteration 86: trace = 0.9843247059977581 (8.17087e-07% change) + large trace change predicted (1.83763e-06%) + linmin: converged after 3 iterations. + iteration 87: trace = 0.9843246879096608 (1.83761e-06% change) + linmin: converged after 4 iterations. + iteration 88: trace = 0.9843246566924536 (3.17143e-06% change) + linmin: converged after 3 iterations. + iteration 89: trace = 0.9843246205594831 (3.67084e-06% change) + linmin: converged after 4 iterations. + iteration 90: trace = 0.9843246064914508 (1.42921e-06% change) + linmin: converged after 4 iterations. + iteration 91: trace = 0.9843246017419645 (4.82512e-07% change) + linmin: converged after 4 iterations. + iteration 92: trace = 0.9843246002812466 (1.48398e-07% change) + linmin: converged after 3 iterations. + iteration 93: trace = 0.9843245999240308 (3.62904e-08% change) + linmin: converged after 2 iterations. + iteration 94: trace = 0.9843245998040704 (1.21871e-08% change) + linmin: converged after 5 iterations. + iteration 95: trace = 0.9843245997561378 (4.86959e-09% change) + linmin: converged after 6 iterations. + iteration 96: trace = 0.9843245997431125 (1.32328e-09% change) + linmin: converged after 3 iterations. + iteration 97: trace = 0.984324599740466 (2.68858e-10% change) + linmin: converged after 2 iterations. + iteration 98: trace = 0.9843245997396692 (8.09496e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 -elapsed time for k point: 0.7178797721862793 +elapsed time for k point: 15.80350637435913 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. - iteration 1: trace = 0.9646769169844729 (2.39738% change) + iteration 1: trace = 0.9646769162886698 (2.39738% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.9596027660893347 (0.527382% change) + iteration 2: trace = 0.9596027655434911 (0.527382% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.9585165717033106 (0.113256% change) + iteration 3: trace = 0.958516571280313 (0.113256% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.957943289542284 (0.0598272% change) + iteration 4: trace = 0.9579432893126026 (0.0598272% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.9577534784129706 (0.0198164% change) + iteration 5: trace = 0.9577534782664552 (0.0198164% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.9577044743992946 (0.00511669% change) + iteration 6: trace = 0.9577044743066758 (0.00511668% change) linmin: converged after 4 iterations. - iteration 7: trace = 0.957678608758347 (0.00270083% change) - linmin: converged after 5 iterations. - iteration 8: trace = 0.9576698781250785 (0.00091165% change) - linmin: converged after 5 iterations. - iteration 9: trace = 0.957662913248986 (0.000727276% change) + iteration 7: trace = 0.9576786087074998 (0.00270083% change) + linmin: converged after 4 iterations. + iteration 8: trace = 0.9576698780972583 (0.000911647% change) + linmin: converged after 4 iterations. + iteration 9: trace = 0.957662913242139 (0.000727274% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.957659602937796 (0.000345666% change) + iteration 10: trace = 0.9576596029390384 (0.000345665% change) linmin: converged after 5 iterations. - iteration 11: trace = 0.9576578418186148 (0.000183898% change) + iteration 11: trace = 0.9576578418226341 (0.000183898% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.9576568119794555 (0.000107537% change) - linmin: converged after 6 iterations. - iteration 13: trace = 0.9576563729664611 (4.58424e-05% change) + iteration 12: trace = 0.9576568119836578 (0.000107537% change) linmin: converged after 5 iterations. - iteration 14: trace = 0.957656162939267 (2.19314e-05% change) + iteration 13: trace = 0.9576563729700537 (4.58425e-05% change) + linmin: converged after 6 iterations. + iteration 14: trace = 0.957656162942213 (2.19314e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.9576560823066533 (8.41979e-06% change) + iteration 15: trace = 0.9576560823091441 (8.41984e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 0.957656002306946 (8.3537e-06% change) - linmin: converged after 7 iterations. - iteration 17: trace = 0.9576558845368066 (1.22978e-05% change) - linmin: converged after 14 iterations. - iteration 18: trace = 0.9576557606442895 (1.29371e-05% change) + iteration 16: trace = 0.957656002308769 (8.35377e-06% change) + linmin: converged after 4 iterations. + iteration 17: trace = 0.9576558845376733 (1.22979e-05% change) linmin: converged after 5 iterations. - iteration 19: trace = 0.9576556898704878 (7.39032e-06% change) + iteration 18: trace = 0.9576557606444888 (1.29371e-05% change) + linmin: converged after 4 iterations. + iteration 19: trace = 0.957655689870502 (7.39034e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 0.9576556668427216 (2.4046e-06% change) + iteration 20: trace = 0.9576556668427234 (2.4046e-06% change) linmin: converged after 2 iterations. - iteration 21: trace = 0.9576556603473553 (6.78257e-07% change) + iteration 21: trace = 0.9576556603473596 (6.78257e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 0.9576556586034581 (1.82101e-07% change) + iteration 22: trace = 0.9576556586034578 (1.82101e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 0.9576556582296465 (3.9034e-08% change) - linmin: converged after 3 iterations. - iteration 24: trace = 0.9576556581383999 (9.52812e-09% change) + iteration 23: trace = 0.9576556582296438 (3.90343e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 0.9576556581169042 (2.24462e-09% change) + iteration 24: trace = 0.9576556581383974 (9.52811e-09% change) linmin: converged after 2 iterations. - iteration 26: trace = 0.9576556581121087 (5.00754e-10% change) - linmin: converged after 3 iterations. - iteration 27: trace = 0.9576556581107256 (1.44427e-10% change) + iteration 25: trace = 0.9576556581169067 (2.24409e-09% change) linmin: converged after 3 iterations. - iteration 28: trace = 0.957655658110388 (3.52547e-11% change) + iteration 26: trace = 0.9576556581121116 (5.00707e-10% change) + linmin: converged after 2 iterations. + iteration 27: trace = 0.9576556581107267 (1.44613e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 0.9576556581103903 (3.51272e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 -elapsed time for k point: 0.21312189102172852 +elapsed time for k point: 1.2785236835479736 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. - iteration 1: trace = 0.9479336872268764 (2.3896% change) + iteration 1: trace = 0.9479336872233943 (2.3896% change) + linmin: converged after 4 iterations. + iteration 2: trace = 0.9430867597604793 (0.512626% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.9430867597552535 (0.512626% change) + iteration 3: trace = 0.9419818739511361 (0.117225% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.9419818739464183 (0.117225% change) + iteration 4: trace = 0.9413709083778428 (0.0648806% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.9413709083740591 (0.0648806% change) + iteration 5: trace = 0.9411784896466663 (0.0204424% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.9411784896437538 (0.0204424% change) + iteration 6: trace = 0.9411437673700729 (0.0036893% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.9411437673677087 (0.0036893% change) + iteration 7: trace = 0.9411282197641757 (0.001652% change) linmin: converged after 4 iterations. - iteration 7: trace = 0.9411282197623502 (0.001652% change) + iteration 8: trace = 0.9411228844443945 (0.000566908% change) linmin: converged after 5 iterations. - iteration 8: trace = 0.94112288444301 (0.000566908% change) + iteration 9: trace = 0.9411177224094729 (0.000548499% change) linmin: converged after 5 iterations. - iteration 9: trace = 0.9411177224087071 (0.000548499% change) + iteration 10: trace = 0.9411142194220592 (0.000372216% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.9411142194217064 (0.000372216% change) - linmin: converged after 4 iterations. - iteration 11: trace = 0.941112530248563 (0.000179487% change) + iteration 11: trace = 0.9411125302487315 (0.000179487% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.9411116700160878 (9.1406e-05% change) - linmin: converged after 6 iterations. - iteration 13: trace = 0.9411114151348848 (2.7083e-05% change) + iteration 12: trace = 0.9411116700161734 (9.1406e-05% change) + linmin: converged after 5 iterations. + iteration 13: trace = 0.9411114151349418 (2.7083e-05% change) linmin: converged after 2 iterations. - iteration 14: trace = 0.9411113125577724 (1.08996e-05% change) + iteration 14: trace = 0.9411113125578108 (1.08996e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.941111284045674 (3.02962e-06% change) + iteration 15: trace = 0.9411112840457022 (3.02962e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 0.9411112731924729 (1.15323e-06% change) - linmin: converged after 3 iterations. - iteration 17: trace = 0.9411112675855253 (5.95779e-07% change) + iteration 16: trace = 0.9411112731924944 (1.15323e-06% change) + linmin: converged after 4 iterations. + iteration 17: trace = 0.9411112675855424 (5.9578e-07% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.9411112644312122 (3.35169e-07% change) + iteration 18: trace = 0.9411112644312221 (3.3517e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 0.9411112620729394 (2.50584e-07% change) + iteration 19: trace = 0.9411112620729449 (2.50584e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 0.9411112600571756 (2.1419e-07% change) + iteration 20: trace = 0.9411112600571752 (2.1419e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 0.9411112586302713 (1.51619e-07% change) + iteration 21: trace = 0.9411112586302788 (1.51618e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 0.9411112579896662 (6.8069e-08% change) + iteration 22: trace = 0.941111257989665 (6.80699e-08% change) linmin: converged after 2 iterations. - iteration 23: trace = 0.9411112578179187 (1.82494e-08% change) + iteration 23: trace = 0.9411112578179182 (1.82494e-08% change) + linmin: converged after 4 iterations. + iteration 24: trace = 0.9411112577748086 (4.5807e-09% change) linmin: converged after 2 iterations. - iteration 24: trace = 0.9411112577748133 (4.58027e-09% change) + iteration 25: trace = 0.9411112577644269 (1.10313e-09% change) linmin: converged after 2 iterations. - iteration 25: trace = 0.9411112577644249 (1.10384e-09% change) + iteration 26: trace = 0.9411112577622895 (2.27115e-10% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.9411112577622929 (2.26548e-10% change) - linmin: converged after 4 iterations. - iteration 27: trace = 0.9411112577617218 (6.06834e-11% change) + iteration 27: trace = 0.9411112577617218 (6.03295e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 -elapsed time for k point: 0.20547938346862793 +elapsed time for k point: 2.3029918670654297 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 0.9431496225335951 (2.3985% change) + iteration 1: trace = 0.9431496225335017 (2.3985% change) linmin: converged after 5 iterations. - iteration 2: trace = 0.9380796204968411 (0.539009% change) + iteration 2: trace = 0.9380796204968815 (0.539009% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.9367721035397272 (0.13948% change) + iteration 3: trace = 0.9367721035397474 (0.13948% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.9359917825716024 (0.0833336% change) + iteration 4: trace = 0.9359917825716 (0.0833336% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.9357711657243538 (0.0235732% change) + iteration 5: trace = 0.9357711657243475 (0.0235732% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.9357390464145816 (0.00343245% change) + iteration 6: trace = 0.9357390464145767 (0.00343245% change) linmin: converged after 4 iterations. - iteration 7: trace = 0.9357282065214865 (0.00115844% change) - linmin: converged after 5 iterations. - iteration 8: trace = 0.9357260906567764 (0.00022612% change) + iteration 7: trace = 0.9357282065214827 (0.00115844% change) linmin: converged after 4 iterations. - iteration 9: trace = 0.935725146239474 (0.000100929% change) - linmin: converged after 2 iterations. - iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) - linmin: converged after 5 iterations. - iteration 11: trace = 0.9357241186857101 (4.23957e-05% change) + iteration 8: trace = 0.9357260906567758 (0.00022612% change) linmin: converged after 6 iterations. - iteration 12: trace = 0.9357237683382568 (3.74413e-05% change) - linmin: converged after 5 iterations. - iteration 13: trace = 0.9357236170894796 (1.61638e-05% change) + iteration 9: trace = 0.9357251462394733 (0.000100929% change) linmin: converged after 2 iterations. - iteration 14: trace = 0.9357235495974401 (7.21282e-06% change) + iteration 10: trace = 0.9357245153926672 (6.7418e-05% change) + linmin: converged after 4 iterations. + iteration 11: trace = 0.9357241186857073 (4.23957e-05% change) + linmin: converged after 18 iterations. + iteration 12: trace = 0.9357237683382228 (3.74413e-05% change) + linmin: converged after 4 iterations. + iteration 13: trace = 0.9357236170895995 (1.61638e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.9357235309444076 (1.99343e-06% change) + iteration 14: trace = 0.9357235495974199 (7.21283e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 0.9357235256266057 (5.68309e-07% change) + iteration 15: trace = 0.9357235309444201 (1.99343e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 0.9357235236195156 (2.14496e-07% change) + iteration 16: trace = 0.9357235256265997 (5.68311e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 0.9357235229374931 (7.28872e-08% change) + iteration 17: trace = 0.9357235236195184 (2.14495e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) + iteration 18: trace = 0.9357235229374905 (7.28878e-08% change) linmin: converged after 2 iterations. - iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) + iteration 19: trace = 0.9357235227208447 (2.31528e-08% change) linmin: converged after 2 iterations. - iteration 21: trace = 0.9357235226426128 (1.80158e-09% change) - linmin: converged after 4 iterations. - iteration 22: trace = 0.9357235226371344 (5.85472e-10% change) - linmin: converged after 3 iterations. - iteration 23: trace = 0.9357235226350299 (2.2491e-10% change) - linmin: converged after 3 iterations. - iteration 24: trace = 0.9357235226340201 (1.07911e-10% change) + iteration 20: trace = 0.9357235226594689 (6.55918e-09% change) linmin: converged after 3 iterations. - iteration 25: trace = 0.9357235226332379 (8.35998e-11% change) + iteration 21: trace = 0.9357235226426152 (1.80115e-09% change) + linmin: converged after 2 iterations. + iteration 22: trace = 0.9357235226371334 (5.85828e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 0.9357235226350291 (2.24887e-10% change) + linmin: converged after 2 iterations. + iteration 24: trace = 0.9357235226340188 (1.0797e-10% change) + linmin: converged after 6 iterations. + iteration 25: trace = 0.9357235226332389 (8.33507e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 -elapsed time for k point: 0.19082999229431152 +elapsed time for k point: 4.6752026081085205 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 0.953165617262801 (2.95521% change) + iteration 1: trace = 0.9531656172624499 (2.95521% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.9465651869299327 (0.694881% change) + iteration 2: trace = 0.9465651869298157 (0.694881% change) linmin: converged after 3 iterations. - iteration 3: trace = 0.9460975825934346 (0.0494123% change) - linmin: converged after 4 iterations. - iteration 4: trace = 0.9458503027171157 (0.0261402% change) - linmin: converged after 4 iterations. - iteration 5: trace = 0.945809012351682 (0.00436552% change) + iteration 3: trace = 0.9460975825933158 (0.0494123% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.9457956329513593 (0.00141461% change) - linmin: converged after 4 iterations. - iteration 7: trace = 0.9457917144911114 (0.000414304% change) + iteration 4: trace = 0.9458503027170211 (0.0261402% change) + linmin: converged after 3 iterations. + iteration 5: trace = 0.9458090123515988 (0.00436552% change) linmin: converged after 4 iterations. - iteration 8: trace = 0.945790828863094 (9.36388e-05% change) + iteration 6: trace = 0.9457956329512955 (0.00141461% change) linmin: converged after 4 iterations. - iteration 9: trace = 0.9457904833985105 (3.65265e-05% change) + iteration 7: trace = 0.9457917144910544 (0.000414304% change) + linmin: converged after 37 iterations. + iteration 8: trace = 0.9457908288630485 (9.36388e-05% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.9457903738934277 (1.15782e-05% change) + iteration 9: trace = 0.9457904833984333 (3.65265e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 0.9457903287956939 (4.76826e-06% change) + iteration 10: trace = 0.9457903738934199 (1.15781e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 0.9457903098667367 (2.00139e-06% change) + iteration 11: trace = 0.945790328795686 (4.76826e-06% change) + linmin: converged after 4 iterations. + iteration 12: trace = 0.9457903098667285 (2.00139e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 0.9457903008332844 (9.55122e-07% change) + iteration 13: trace = 0.9457903008332738 (9.55122e-07% change) linmin: converged after 2 iterations. - iteration 14: trace = 0.9457902938373142 (7.39696e-07% change) + iteration 14: trace = 0.9457902938373115 (7.39695e-07% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.9457902889826197 (5.13295e-07% change) + iteration 15: trace = 0.945790288982615 (5.13295e-07% change) linmin: converged after 2 iterations. - iteration 16: trace = 0.9457902856358886 (3.53856e-07% change) + iteration 16: trace = 0.9457902856358905 (3.53855e-07% change) linmin: converged after 2 iterations. - iteration 17: trace = 0.9457902842649575 (1.44951e-07% change) + iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 0.9457902838788865 (4.08199e-08% change) + iteration 18: trace = 0.9457902838788883 (4.08199e-08% change) linmin: converged after 2 iterations. - iteration 19: trace = 0.9457902837821105 (1.02323e-08% change) + iteration 19: trace = 0.9457902837821124 (1.02323e-08% change) linmin: converged after 2 iterations. - iteration 20: trace = 0.9457902837614043 (2.1893e-09% change) - linmin: converged after 4 iterations. - iteration 21: trace = 0.9457902837571461 (4.50221e-10% change) - linmin: converged after 3 iterations. - iteration 22: trace = 0.9457902837561442 (1.05941e-10% change) + iteration 20: trace = 0.9457902837614034 (2.1896e-09% change) + linmin: converged after 7 iterations. + iteration 21: trace = 0.945790283757144 (4.5035e-10% change) linmin: converged after 3 iterations. - iteration 23: trace = 0.9457902837559176 (2.39584e-11% change) + iteration 22: trace = 0.9457902837561423 (1.05917e-10% change) + linmin: converged after 4 iterations. + iteration 23: trace = 0.9457902837559192 (2.35828e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 -elapsed time for k point: 0.17614054679870605 +elapsed time for k point: 3.7558910846710205 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. - iteration 1: trace = 0.9838330564809288 (2.82864% change) + iteration 1: trace = 0.9838330564807534 (2.82864% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.9767698261612532 (0.720516% change) + iteration 2: trace = 0.9767698261611588 (0.720516% change) linmin: converged after 3 iterations. - iteration 3: trace = 0.9759908342476811 (0.0797837% change) + iteration 3: trace = 0.9759908342476455 (0.0797837% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.9754521141780594 (0.0552125% change) + iteration 4: trace = 0.9754521141780657 (0.0552125% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.9753439239667435 (0.0110919% change) + iteration 5: trace = 0.9753439239667533 (0.0110919% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.975287908703611 (0.00574329% change) + iteration 6: trace = 0.9752879087036219 (0.00574329% change) linmin: converged after 4 iterations. - iteration 7: trace = 0.9752720379978139 (0.0016273% change) + iteration 7: trace = 0.9752720379978204 (0.0016273% change) linmin: converged after 5 iterations. - iteration 8: trace = 0.9752675452794883 (0.000460664% change) - linmin: converged after 4 iterations. - iteration 9: trace = 0.9752661173619734 (0.000146413% change) + iteration 8: trace = 0.9752675452794952 (0.000460664% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.9752657982803785 (3.27174e-05% change) + iteration 9: trace = 0.9752661173619801 (0.000146413% change) linmin: converged after 5 iterations. - iteration 11: trace = 0.9752656737712249 (1.27667e-05% change) + iteration 10: trace = 0.9752657982803837 (3.27174e-05% change) + linmin: converged after 5 iterations. + iteration 11: trace = 0.9752656737712277 (1.27667e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 0.9752655986569766 (7.70193e-06% change) - linmin: converged after 9 iterations. - iteration 13: trace = 0.9752655199382678 (8.07152e-06% change) + iteration 12: trace = 0.9752655986569779 (7.70193e-06% change) + linmin: converged after 6 iterations. + iteration 13: trace = 0.9752655199382627 (8.07152e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 0.9752654586050853 (6.28887e-06% change) + iteration 14: trace = 0.9752654586051022 (6.28887e-06% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.9752654363667237 (2.28024e-06% change) - linmin: converged after 8 iterations. - iteration 16: trace = 0.9752654288851379 (7.67133e-07% change) + iteration 15: trace = 0.9752654363667195 (2.28024e-06% change) + linmin: converged after 12 iterations. + iteration 16: trace = 0.9752654288851387 (7.67133e-07% change) linmin: converged after 2 iterations. - iteration 17: trace = 0.9752654270617294 (1.86965e-07% change) + iteration 17: trace = 0.9752654270617316 (1.86965e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 0.9752654266193447 (4.53604e-08% change) - linmin: converged after 10 iterations. - iteration 19: trace = 0.9752654264923875 (1.30177e-08% change) - linmin: converged after 4 iterations. - iteration 20: trace = 0.9752654264573533 (3.59227e-09% change) + iteration 18: trace = 0.9752654266193401 (4.53611e-08% change) linmin: converged after 2 iterations. - iteration 21: trace = 0.9752654264468763 (1.07427e-09% change) + iteration 19: trace = 0.9752654264923921 (1.30168e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 0.9752654264434999 (3.46204e-10% change) - linmin: converged after 3 iterations. - iteration 23: trace = 0.9752654264424252 (1.10195e-10% change) - linmin: converged after 3 iterations. - iteration 24: trace = 0.9752654264419853 (4.51026e-11% change) + iteration 20: trace = 0.975265426457352 (3.59288e-09% change) + linmin: converged after 7 iterations. + iteration 21: trace = 0.975265426446871 (1.07469e-09% change) + linmin: converged after 4 iterations. + iteration 22: trace = 0.9752654264434989 (3.4576e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 0.9752654264424229 (1.10332e-10% change) + linmin: converged after 5 iterations. + iteration 24: trace = 0.9752654264419838 (4.50229e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 -elapsed time for k point: 0.18359661102294922 +elapsed time for k point: 4.11699104309082 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. - iteration 1: trace = 1.031310457523517 (2.74381% change) + iteration 1: trace = 1.031310457525055 (2.74381% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.023001395899646 (0.808939% change) + iteration 2: trace = 1.023001395900786 (0.808939% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.02094459610308 (0.201258% change) + iteration 3: trace = 1.020944596104007 (0.201258% change) linmin: converged after 5 iterations. - iteration 4: trace = 1.01919668233618 (0.171352% change) + iteration 4: trace = 1.019196682336762 (0.171352% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.018718077777742 (0.04697% change) + iteration 5: trace = 1.01871807777816 (0.04697% change) linmin: converged after 3 iterations. - iteration 6: trace = 1.018308274746326 (0.0402354% change) + iteration 6: trace = 1.018308274746532 (0.0402354% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.018176585208145 (0.012933% change) + iteration 7: trace = 1.018176585208275 (0.012933% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.018122381585494 (0.00532374% change) + iteration 8: trace = 1.01812238158558 (0.00532374% change) linmin: converged after 3 iterations. - iteration 9: trace = 1.018108141501862 (0.00139867% change) + iteration 9: trace = 1.01810814150193 (0.00139867% change) linmin: converged after 3 iterations. - iteration 10: trace = 1.018104688377118 (0.000339171% change) + iteration 10: trace = 1.018104688377168 (0.000339171% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.018103724639137 (9.46601e-05% change) + iteration 11: trace = 1.018103724639177 (9.46601e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 1.018103471304828 (2.4883e-05% change) + iteration 12: trace = 1.018103471304866 (2.4883e-05% change) linmin: converged after 2 iterations. - iteration 13: trace = 1.018103337799603 (1.31131e-05% change) + iteration 13: trace = 1.018103337799626 (1.31131e-05% change) linmin: converged after 5 iterations. - iteration 14: trace = 1.018103254441715 (8.18757e-06% change) - linmin: converged after 4 iterations. - iteration 15: trace = 1.01810320466102 (4.88955e-06% change) + iteration 14: trace = 1.018103254441728 (8.18757e-06% change) + linmin: converged after 6 iterations. + iteration 15: trace = 1.018103204661021 (4.88955e-06% change) linmin: converged after 3 iterations. - iteration 16: trace = 1.018103175566663 (2.8577e-06% change) + iteration 16: trace = 1.018103175566668 (2.8577e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.018103161363203 (1.39509e-06% change) + iteration 17: trace = 1.018103161363211 (1.39509e-06% change) linmin: converged after 4 iterations. - iteration 18: trace = 1.018103152357125 (8.84594e-07% change) + iteration 18: trace = 1.018103152357125 (8.84595e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.018103147246916 (5.01934e-07% change) + iteration 19: trace = 1.018103147246921 (5.01934e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.018103144530308 (2.6683e-07% change) - linmin: converged after 26 iterations. + iteration 20: trace = 1.018103144530307 (2.66831e-07% change) + linmin: converged after 3 iterations. iteration 21: trace = 1.018103143433505 (1.0773e-07% change) - linmin: converged after 18 iterations. - iteration 22: trace = 1.018103143020114 (4.0604e-08% change) - linmin: converged after 17 iterations. - iteration 23: trace = 1.018103142868823 (1.48602e-08% change) + linmin: converged after 4 iterations. + iteration 22: trace = 1.018103143020115 (4.0604e-08% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.018103142826689 (4.13842e-09% change) - linmin: converged after 6 iterations. - iteration 25: trace = 1.018103142813699 (1.27595e-09% change) + iteration 23: trace = 1.01810314286882 (1.48605e-08% change) linmin: converged after 3 iterations. - iteration 26: trace = 1.018103142809128 (4.48973e-10% change) + iteration 24: trace = 1.018103142826692 (4.13788e-09% change) + linmin: converged after 2 iterations. + iteration 25: trace = 1.018103142813699 (1.27623e-09% change) + linmin: converged after 4 iterations. + iteration 26: trace = 1.018103142809129 (4.48821e-10% change) linmin: converged after 3 iterations. - iteration 27: trace = 1.01810314280708 (2.01085e-10% change) - linmin: converged after 6 iterations. - iteration 28: trace = 1.018103142806047 (1.01524e-10% change) - linmin: converged after 6 iterations. - iteration 29: trace = 1.018103142805611 (4.28123e-11% change) + iteration 27: trace = 1.018103142807085 (2.00845e-10% change) + linmin: converged after 2 iterations. + iteration 28: trace = 1.018103142806048 (1.01851e-10% change) + linmin: converged after 3 iterations. + iteration 29: trace = 1.018103142805605 (4.34884e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 -elapsed time for k point: 0.22095894813537598 +elapsed time for k point: 3.7140157222747803 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... - linmin: converged after 8 iterations. - iteration 1: trace = 1.077079219748012 (2.88237% change) - linmin: converged after 6 iterations. - iteration 2: trace = 1.066262027914326 (1.00938% change) - linmin: converged after 7 iterations. - iteration 3: trace = 1.059824264961827 (0.605598% change) + linmin: converged after 9 iterations. + iteration 1: trace = 1.077079219748032 (2.88237% change) linmin: converged after 5 iterations. - iteration 4: trace = 1.056454446691278 (0.318466% change) + iteration 2: trace = 1.066262027914341 (1.00938% change) + linmin: converged after 6 iterations. + iteration 3: trace = 1.05982426496183 (0.605598% change) + linmin: converged after 6 iterations. + iteration 4: trace = 1.056454446691284 (0.318466% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.055117395208741 (0.12664% change) - linmin: converged after 8 iterations. - iteration 6: trace = 1.053973327355112 (0.108489% change) + iteration 5: trace = 1.055117395208745 (0.12664% change) + linmin: converged after 5 iterations. + iteration 6: trace = 1.053973327355114 (0.108489% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.053442526128464 (0.0503746% change) + iteration 7: trace = 1.053442526154095 (0.0503746% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.053206381305613 (0.022419% change) + iteration 8: trace = 1.053206381323702 (0.022419% change) linmin: converged after 3 iterations. - iteration 9: trace = 1.053116219805326 (0.00856103% change) + iteration 9: trace = 1.053116219819068 (0.00856103% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.053071769622506 (0.00422091% change) + iteration 10: trace = 1.053071769632646 (0.00422091% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.053056103815011 (0.00148764% change) + iteration 11: trace = 1.053056103822104 (0.00148764% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.053047222787789 (0.000843361% change) - linmin: converged after 6 iterations. - iteration 13: trace = 1.053042139513931 (0.000482722% change) + iteration 12: trace = 1.053047222792956 (0.000843361% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.053037941123152 (0.000398692% change) + iteration 13: trace = 1.053042139517095 (0.000482722% change) + linmin: converged after 5 iterations. + iteration 14: trace = 1.05303794112489 (0.000398693% change) linmin: converged after 5 iterations. - iteration 15: trace = 1.053035343143506 (0.000246713% change) + iteration 15: trace = 1.053035343144199 (0.000246713% change) linmin: converged after 5 iterations. - iteration 16: trace = 1.053034079935649 (0.000119959% change) + iteration 16: trace = 1.053034079936007 (0.000119959% change) linmin: converged after 6 iterations. - iteration 17: trace = 1.053033595937132 (4.59623e-05% change) - linmin: converged after 10 iterations. - iteration 18: trace = 1.053033362151743 (2.22011e-05% change) + iteration 17: trace = 1.053033595937297 (4.59623e-05% change) + linmin: converged after 5 iterations. + iteration 18: trace = 1.053033362151883 (2.22011e-05% change) linmin: converged after 3 iterations. - iteration 19: trace = 1.053033220622913 (1.34401e-05% change) + iteration 19: trace = 1.053033220626464 (1.34398e-05% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.05303313618057 (8.01896e-06% change) + iteration 20: trace = 1.053033136182073 (8.01916e-06% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.053033092856717 (4.1142e-06% change) + iteration 21: trace = 1.053033092857904 (4.11423e-06% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.053033069955626 (2.17477e-06% change) - linmin: converged after 3 iterations. - iteration 23: trace = 1.053033056567454 (1.27139e-06% change) - linmin: converged after 4 iterations. - iteration 24: trace = 1.053033050086863 (6.15421e-07% change) + iteration 22: trace = 1.053033069956103 (2.17484e-06% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.053033046929928 (2.99794e-07% change) - linmin: converged after 5 iterations. - iteration 26: trace = 1.05303304549263 (1.36491e-07% change) - linmin: converged after 4 iterations. - iteration 27: trace = 1.053033044713365 (7.40019e-08% change) + iteration 23: trace = 1.053033056567706 (1.27141e-06% change) linmin: converged after 3 iterations. - iteration 28: trace = 1.053033044195651 (4.9164e-08% change) - linmin: converged after 3 iterations. - iteration 29: trace = 1.053033043811561 (3.64746e-08% change) - linmin: converged after 20 iterations. - iteration 30: trace = 1.053033043579942 (2.19954e-08% change) - linmin: converged after 6 iterations. - iteration 31: trace = 1.053033043469694 (1.04696e-08% change) - linmin: converged after 4 iterations. - iteration 32: trace = 1.053033043429305 (3.83547e-09% change) + iteration 24: trace = 1.053033050087025 (6.1543e-07% change) linmin: converged after 6 iterations. - iteration 33: trace = 1.053033043415605 (1.30106e-09% change) - linmin: converged after 2 iterations. - iteration 34: trace = 1.05303304341018 (5.15094e-10% change) + iteration 25: trace = 1.053033046930003 (2.99803e-07% change) linmin: converged after 3 iterations. - iteration 35: trace = 1.053033043407256 (2.77726e-10% change) - linmin: converged after 6 iterations. - iteration 36: trace = 1.053033043404642 (2.48206e-10% change) - linmin: converged after 8 iterations. - iteration 37: trace = 1.053033043402345 (2.18116e-10% change) + iteration 26: trace = 1.053033045492662 (1.36495e-07% change) linmin: converged after 4 iterations. - iteration 38: trace = 1.053033043401217 (1.07202e-10% change) + iteration 27: trace = 1.05303304471339 (7.40026e-08% change) + linmin: converged after 3 iterations. + iteration 28: trace = 1.053033044195642 (4.91673e-08% change) + linmin: converged after 3 iterations. + iteration 29: trace = 1.053033043811545 (3.64754e-08% change) + linmin: converged after 18 iterations. + iteration 30: trace = 1.053033043579941 (2.1994e-08% change) + linmin: converged after 17 iterations. + iteration 31: trace = 1.05303304346969 (1.04698e-08% change) + linmin: converged after 7 iterations. + iteration 32: trace = 1.053033043429304 (3.83516e-09% change) + linmin: converged after 3 iterations. + iteration 33: trace = 1.053033043415642 (1.29743e-09% change) + linmin: converged after 3 iterations. + iteration 34: trace = 1.053033043410175 (5.19142e-10% change) + linmin: converged after 3 iterations. + iteration 35: trace = 1.053033043407271 (2.75744e-10% change) + linmin: converged after 3 iterations. + iteration 36: trace = 1.053033043404647 (2.49218e-10% change) + linmin: converged after 3 iterations. + iteration 37: trace = 1.053033043402362 (2.17019e-10% change) linmin: converged after 3 iterations. - iteration 39: trace = 1.053033043400875 (3.24306e-11% change) + iteration 38: trace = 1.053033043401237 (1.06823e-10% change) + linmin: converged after 6 iterations. + iteration 39: trace = 1.053033043400841 (3.75756e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 -elapsed time for k point: 0.29489803314208984 +elapsed time for k point: 4.1212897300720215 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. - iteration 1: trace = 1.125418509191376 (26.786% change) + iteration 1: trace = 1.125418509203134 (26.786% change) linmin: converged after 6 iterations. - iteration 2: trace = 1.086199374680951 (3.54665% change) + iteration 2: trace = 1.086199374689317 (3.54665% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.077433840602503 (0.810261% change) + iteration 3: trace = 1.077433840608125 (0.810261% change) linmin: converged after 5 iterations. - iteration 4: trace = 1.070916422402231 (0.606737% change) + iteration 4: trace = 1.07091642240455 (0.606737% change) linmin: converged after 5 iterations. - iteration 5: trace = 1.06795517723029 (0.276898% change) + iteration 5: trace = 1.067955177231412 (0.276898% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.06640429646712 (0.145325% change) + iteration 6: trace = 1.066404296467735 (0.145325% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.065591405105567 (0.0762564% change) + iteration 7: trace = 1.065591405105872 (0.0762564% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.065169288340961 (0.0396212% change) + iteration 8: trace = 1.065169288341139 (0.0396212% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.0649475047683 (0.0208236% change) + iteration 9: trace = 1.064947504768367 (0.0208236% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.064821092340355 (0.011871% change) + iteration 10: trace = 1.064821092340382 (0.011871% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.064775779630052 (0.00425552% change) + iteration 11: trace = 1.064775779630062 (0.00425552% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.064759862322813 (0.00149491% change) + iteration 12: trace = 1.064759862322818 (0.00149491% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.064754343598677 (0.000518308% change) + iteration 13: trace = 1.064754343598674 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. - iteration 15: trace = 1.064751934186259 (6.12325e-05% change) - linmin: converged after 25 iterations. - iteration 16: trace = 1.064751716375272 (2.04565e-05% change) + iteration 15: trace = 1.064751934186257 (6.12325e-05% change) + linmin: converged after 5 iterations. + iteration 16: trace = 1.064751716375276 (2.04565e-05% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.064751641473267 (7.03469e-06% change) + iteration 17: trace = 1.064751641473007 (7.03472e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.064751608763334 (3.07207e-06% change) + iteration 18: trace = 1.064751608763357 (3.07205e-06% change) linmin: converged after 4 iterations. - iteration 19: trace = 1.064751594444219 (1.34483e-06% change) + iteration 19: trace = 1.064751594444111 (1.34484e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.064751588378935 (5.69643e-07% change) + iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.06475158506594 (3.11152e-07% change) + iteration 21: trace = 1.064751585065905 (3.11158e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.064751582775816 (2.15085e-07% change) + iteration 22: trace = 1.064751582775833 (2.1508e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 1.064751581427317 (1.26649e-07% change) + iteration 23: trace = 1.064751581427303 (1.26652e-07% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.064751580863346 (5.29674e-08% change) + iteration 24: trace = 1.064751580863343 (5.29663e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.064751580697915 (1.5537e-08% change) + iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.064751580656115 (3.92579e-09% change) + iteration 26: trace = 1.064751580656117 (3.92568e-09% change) linmin: converged after 4 iterations. - iteration 27: trace = 1.064751580642666 (1.26311e-09% change) - linmin: converged after 2 iterations. - iteration 28: trace = 1.064751580638184 (4.2094e-10% change) + iteration 27: trace = 1.064751580642666 (1.26326e-09% change) linmin: converged after 3 iterations. - iteration 29: trace = 1.064751580636458 (1.6212e-10% change) - linmin: converged after 5 iterations. - iteration 30: trace = 1.064751580635713 (6.99656e-11% change) + iteration 28: trace = 1.06475158063819 (4.20419e-10% change) + linmin: converged after 4 iterations. + iteration 29: trace = 1.064751580636454 (1.63038e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 1.06475158063571 (6.98405e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 -elapsed time for k point: 0.11437797546386719 +elapsed time for k point: 2.283107042312622 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... - linmin: converged after 10 iterations. - iteration 1: trace = 1.083139123992332 (4.15252% change) + linmin: converged after 9 iterations. + iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 5 iterations. - iteration 2: trace = 1.067759464050377 (1.43007% change) + iteration 2: trace = 1.067759464050549 (1.43007% change) linmin: converged after 5 iterations. - iteration 3: trace = 1.058743055847689 (0.848004% change) + iteration 3: trace = 1.058743055847529 (0.848004% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.055821359693045 (0.27634% change) + iteration 4: trace = 1.055821359692894 (0.27634% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.055194292753355 (0.059409% change) + iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.05451570710273 (0.0643298% change) + iteration 6: trace = 1.054515707102698 (0.0643298% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.054199358517808 (0.0300039% change) + iteration 7: trace = 1.054199358517806 (0.0300039% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.05401502612871 (0.0174871% change) + iteration 8: trace = 1.054015026128711 (0.0174871% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.053945642710523 (0.00658299% change) + iteration 9: trace = 1.05394564271052 (0.00658299% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.053916462348825 (0.00276872% change) + iteration 10: trace = 1.053916462348827 (0.00276872% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.053905508373106 (0.00103936% change) + iteration 11: trace = 1.053905508373105 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) - linmin: converged after 13 iterations. - iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.053901190385469 (2.08657e-05% change) + iteration 13: trace = 1.053901410289624 (8.61871e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 1.053901190385521 (2.08657e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.053901094722953 (9.07699e-06% change) + iteration 15: trace = 1.053901094722908 (9.077e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.0539010423296 (4.97137e-06% change) + iteration 16: trace = 1.053901042329604 (4.97137e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.053901016387604 (2.46152e-06% change) + iteration 17: trace = 1.05390101638759 (2.46152e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.053901002297731 (1.33693e-06% change) + iteration 18: trace = 1.05390100229774 (1.33692e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.053900994619983 (7.28507e-07% change) + iteration 19: trace = 1.053900994619986 (7.28508e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.053900989320622 (5.02833e-07% change) + iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.053900987123129 (2.0851e-07% change) + iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.053900986524412 (5.68096e-08% change) + iteration 22: trace = 1.053900986524416 (5.681e-08% change) linmin: converged after 3 iterations. - iteration 23: trace = 1.053900986366483 (1.49853e-08% change) - linmin: converged after 4 iterations. - iteration 24: trace = 1.053900986325057 (3.93073e-09% change) + iteration 23: trace = 1.053900986366487 (1.49852e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.05390098631045 (1.38595e-09% change) - linmin: converged after 3 iterations. - iteration 26: trace = 1.053900986303705 (6.4005e-10% change) + iteration 24: trace = 1.053900986325057 (3.93111e-09% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.053900986300586 (2.95933e-10% change) - linmin: converged after 3 iterations. - iteration 28: trace = 1.053900986298913 (1.58733e-10% change) - linmin: converged after 3 iterations. - iteration 29: trace = 1.053900986298101 (7.70276e-11% change) + iteration 25: trace = 1.053900986310452 (1.38576e-09% change) + linmin: converged after 4 iterations. + iteration 26: trace = 1.053900986303702 (6.4045e-10% change) + linmin: converged after 4 iterations. + iteration 27: trace = 1.053900986300588 (2.95469e-10% change) + linmin: converged after 2 iterations. + iteration 28: trace = 1.053900986298909 (1.59365e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 1.053900986298104 (7.63534e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 -elapsed time for k point: 0.28997802734375 +elapsed time for k point: 3.7164008617401123 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... - linmin: converged after 6 iterations. - iteration 1: trace = 1.065595398928638 (3.90048% change) - linmin: converged after 10 iterations. - iteration 2: trace = 1.055450127301297 (0.956629% change) + linmin: converged after 7 iterations. + iteration 1: trace = 1.065595398928579 (3.90048% change) + linmin: converged after 5 iterations. + iteration 2: trace = 1.055450127301308 (0.956629% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.052399474005027 (0.289456% change) + iteration 3: trace = 1.052399474005145 (0.289456% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.051047423635596 (0.128556% change) + iteration 4: trace = 1.051047423636178 (0.128556% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.050891451863641 (0.0148408% change) + iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.050820039910637 (0.0067956% change) + iteration 6: trace = 1.050820039910739 (0.0067956% change) linmin: converged after 6 iterations. - iteration 7: trace = 1.050776389407951 (0.00415403% change) + iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 3 iterations. - iteration 8: trace = 1.050735518700089 (0.00388965% change) - linmin: converged after 5 iterations. - iteration 9: trace = 1.050712406629304 (0.00219963% change) + iteration 8: trace = 1.050735518700163 (0.00388965% change) + linmin: converged after 4 iterations. + iteration 9: trace = 1.050712406629326 (0.00219963% change) linmin: converged after 5 iterations. - iteration 10: trace = 1.050703645182157 (0.000833861% change) - linmin: converged after 6 iterations. - iteration 11: trace = 1.050700527947592 (0.000296681% change) + iteration 10: trace = 1.050703645182168 (0.000833861% change) + linmin: converged after 4 iterations. + iteration 11: trace = 1.050700527947597 (0.000296681% change) linmin: converged after 5 iterations. - iteration 12: trace = 1.050699532774886 (9.47152e-05% change) + iteration 12: trace = 1.050699532774884 (9.47152e-05% change) linmin: converged after 5 iterations. - iteration 13: trace = 1.050699177150716 (3.38464e-05% change) + iteration 13: trace = 1.050699177150715 (3.38464e-05% change) linmin: converged after 2 iterations. - iteration 14: trace = 1.050699067583432 (1.0428e-05% change) + iteration 14: trace = 1.050699067583426 (1.0428e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.050699026853781 (3.87643e-06% change) + iteration 15: trace = 1.050699026853782 (3.87643e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.050699005022339 (2.0778e-06% change) - linmin: converged after 4 iterations. - iteration 17: trace = 1.05069898996691 (1.4329e-06% change) + iteration 16: trace = 1.050699005022336 (2.0778e-06% change) + linmin: converged after 6 iterations. + iteration 17: trace = 1.050698989966912 (1.4329e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.050698977063516 (1.22808e-06% change) + iteration 18: trace = 1.050698977063517 (1.22808e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.050698967444909 (9.15448e-07% change) + iteration 19: trace = 1.050698967444911 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362368 (6.74079e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.05069895675734 (3.43108e-07% change) + iteration 21: trace = 1.050698956757338 (3.43108e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.050698955164585 (1.5159e-07% change) + iteration 22: trace = 1.050698955164582 (1.5159e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 1.050698954594421 (5.42652e-08% change) + iteration 23: trace = 1.05069895459442 (5.4265e-08% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.050698954368865 (2.14673e-08% change) + iteration 24: trace = 1.050698954368865 (2.14672e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52175e-08% change) - linmin: converged after 3 iterations. - iteration 26: trace = 1.050698954069499 (1.32745e-08% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.050698953980487 (8.47169e-09% change) + iteration 26: trace = 1.0506989540695 (1.32744e-08% change) linmin: converged after 2 iterations. - iteration 28: trace = 1.050698953945815 (3.29984e-09% change) + iteration 27: trace = 1.050698953980486 (8.47188e-09% change) + linmin: converged after 8 iterations. + iteration 28: trace = 1.050698953945816 (3.29971e-09% change) linmin: converged after 2 iterations. - iteration 29: trace = 1.050698953935615 (9.70831e-10% change) - linmin: converged after 5 iterations. - iteration 30: trace = 1.050698953931684 (3.74118e-10% change) + iteration 29: trace = 1.050698953935616 (9.70788e-10% change) + linmin: converged after 9 iterations. + iteration 30: trace = 1.050698953931686 (3.74055e-10% change) + linmin: converged after 2 iterations. + iteration 31: trace = 1.050698953929973 (1.6302e-10% change) linmin: converged after 3 iterations. - iteration 31: trace = 1.050698953929972 (1.62893e-10% change) - linmin: converged after 7 iterations. - iteration 32: trace = 1.050698953929235 (7.02251e-11% change) + iteration 32: trace = 1.050698953929234 (7.03096e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 -elapsed time for k point: 0.24291276931762695 +elapsed time for k point: 6.859142303466797 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. - iteration 1: trace = 1.088279540873553 (4.02105% change) + iteration 1: trace = 1.088279540873555 (4.02105% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.078010312383156 (0.948094% change) + iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.07488881031914 (0.0219282% change) + iteration 5: trace = 1.074888810319138 (0.0219282% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.074611210358773 (0.0258293% change) + iteration 6: trace = 1.074611210358774 (0.0258293% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.074337620664562 (0.0254627% change) + iteration 7: trace = 1.074337620664561 (0.0254627% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.07413313855772 (0.0190351% change) + iteration 8: trace = 1.074133138557719 (0.0190351% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.074051063054056 (0.00764138% change) + iteration 9: trace = 1.074051063054055 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.074016815860835 (0.000309702% change) + iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) - linmin: converged after 4 iterations. - iteration 14: trace = 1.0740142217956 (8.05183e-05% change) linmin: converged after 5 iterations. - iteration 15: trace = 1.074013421483327 (7.4516e-05% change) + iteration 14: trace = 1.074014221795601 (8.05183e-05% change) + linmin: converged after 5 iterations. + iteration 15: trace = 1.074013421483325 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) - linmin: converged after 5 iterations. + linmin: converged after 3 iterations. iteration 17: trace = 1.074006542454387 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. - iteration 18: trace = 1.073941701046233 (0.00603752% change) + iteration 18: trace = 1.07394170104624 (0.00603752% change) large trace change predicted (0.0314784%) - linmin: converged after 12 iterations. - iteration 19: trace = 1.073871054646416 (0.00657845% change) + linmin: converged after 9 iterations. + iteration 19: trace = 1.073871054646401 (0.00657845% change) linmin: converged after 7 iterations. - iteration 20: trace = 1.073836865047087 (0.00318382% change) - linmin: converged after 4 iterations. - iteration 21: trace = 1.073810051814028 (0.00249699% change) - linmin: converged after 4 iterations. - iteration 22: trace = 1.073786930253217 (0.00215325% change) - linmin: converged after 10 iterations. - iteration 23: trace = 1.073765951854456 (0.0019537% change) + iteration 20: trace = 1.073836865047133 (0.00318382% change) linmin: converged after 4 iterations. - iteration 24: trace = 1.073746099860138 (0.00184884% change) + iteration 21: trace = 1.073810051814073 (0.00249699% change) linmin: converged after 4 iterations. - iteration 25: trace = 1.073726549588458 (0.00182077% change) + iteration 22: trace = 1.073786930253258 (0.00215325% change) + linmin: converged after 5 iterations. + iteration 23: trace = 1.073765951854511 (0.0019537% change) + linmin: converged after 5 iterations. + iteration 24: trace = 1.073746099951677 (0.00184883% change) linmin: converged after 4 iterations. - iteration 26: trace = 1.073706652603742 (0.00185309% change) + iteration 25: trace = 1.073726549677794 (0.00182077% change) linmin: converged after 6 iterations. - iteration 27: trace = 1.073686047966421 (0.00191904% change) - linmin: converged after 6 iterations. - iteration 28: trace = 1.073664807416834 (0.0019783% change) + iteration 26: trace = 1.073706652691414 (0.00185309% change) linmin: converged after 4 iterations. - iteration 29: trace = 1.073643487495667 (0.00198573% change) - linmin: converged after 6 iterations. - iteration 30: trace = 1.073622932948062 (0.00191449% change) + iteration 27: trace = 1.073686048053079 (0.00191904% change) + linmin: converged after 5 iterations. + iteration 28: trace = 1.07366480750308 (0.0019783% change) linmin: converged after 4 iterations. - iteration 31: trace = 1.073603845244766 (0.00177789% change) + iteration 29: trace = 1.073643487581963 (0.00198573% change) linmin: converged after 4 iterations. - iteration 32: trace = 1.073586422494262 (0.00162284% change) + iteration 30: trace = 1.073622933034567 (0.00191449% change) linmin: converged after 4 iterations. - iteration 33: trace = 1.073570337515781 (0.00149826% change) + iteration 31: trace = 1.073603845331304 (0.00177789% change) linmin: converged after 4 iterations. - iteration 34: trace = 1.073554964133572 (0.001432% change) + iteration 32: trace = 1.073586422580545 (0.00162284% change) linmin: converged after 4 iterations. - iteration 35: trace = 1.073539629030023 (0.00142845% change) + iteration 33: trace = 1.07357033760148 (0.00149826% change) linmin: converged after 4 iterations. - iteration 36: trace = 1.073523800476235 (0.00147444% change) + iteration 34: trace = 1.0735549642185 (0.001432% change) linmin: converged after 4 iterations. - iteration 37: trace = 1.07350721905162 (0.00154459% change) + iteration 35: trace = 1.073539629114168 (0.00142845% change) + linmin: converged after 6 iterations. + iteration 36: trace = 1.073523800559739 (0.00147444% change) linmin: converged after 4 iterations. - iteration 38: trace = 1.073489949913865 (0.00160868% change) + iteration 37: trace = 1.073507219134764 (0.00154459% change) linmin: converged after 4 iterations. - iteration 39: trace = 1.073472300629322 (0.00164412% change) + iteration 38: trace = 1.073489949996989 (0.00160868% change) linmin: converged after 4 iterations. - iteration 40: trace = 1.073454608019516 (0.00164818% change) - linmin: converged after 5 iterations. - iteration 41: trace = 1.073437013828229 (0.00163904% change) - linmin: converged after 5 iterations. - iteration 42: trace = 1.073419363942593 (0.00164425% change) + iteration 39: trace = 1.073472300712646 (0.00164412% change) linmin: converged after 4 iterations. - iteration 43: trace = 1.073401253191454 (0.00168722% change) + iteration 40: trace = 1.07345460810302 (0.00164818% change) linmin: converged after 4 iterations. - iteration 44: trace = 1.073382150195075 (0.00177969% change) + iteration 41: trace = 1.073437013911646 (0.00163904% change) linmin: converged after 4 iterations. - iteration 45: trace = 1.073361544198039 (0.00191974% change) + iteration 42: trace = 1.07341936402553 (0.00164425% change) linmin: converged after 4 iterations. - iteration 46: trace = 1.073339086794205 (0.00209227% change) + iteration 43: trace = 1.073401253273459 (0.00168722% change) linmin: converged after 4 iterations. - iteration 47: trace = 1.073314699796275 (0.00227209% change) + iteration 44: trace = 1.073382150275805 (0.00177969% change) linmin: converged after 4 iterations. - iteration 48: trace = 1.073288605795537 (0.00243119% change) + iteration 45: trace = 1.0733615442773 (0.00191974% change) linmin: converged after 4 iterations. - iteration 49: trace = 1.073261255658797 (0.00254829% change) - linmin: converged after 5 iterations. - iteration 50: trace = 1.073233183557536 (0.00261562% change) - linmin: converged after 4 iterations. - iteration 51: trace = 1.073204865296414 (0.00263863% change) + iteration 46: trace = 1.073339086872033 (0.00209227% change) linmin: converged after 4 iterations. - iteration 52: trace = 1.073176643511875 (0.00262971% change) + iteration 47: trace = 1.073314699872937 (0.00227209% change) linmin: converged after 4 iterations. - iteration 53: trace = 1.073148730702852 (0.00260099% change) + iteration 48: trace = 1.073288605871434 (0.00243119% change) + linmin: converged after 5 iterations. + iteration 49: trace = 1.073261255734322 (0.00254829% change) linmin: converged after 4 iterations. - iteration 54: trace = 1.073121259152683 (0.00255993% change) + iteration 50: trace = 1.073233183632931 (0.00261562% change) linmin: converged after 4 iterations. - iteration 55: trace = 1.073094338511955 (0.00250866% change) + iteration 51: trace = 1.073204865371742 (0.00263863% change) linmin: converged after 4 iterations. - iteration 56: trace = 1.07306809496856 (0.00244563% change) + iteration 52: trace = 1.073176643586995 (0.00262971% change) linmin: converged after 4 iterations. - iteration 57: trace = 1.073042682876337 (0.0023682% change) + iteration 53: trace = 1.07314873077758 (0.00260099% change) linmin: converged after 4 iterations. - iteration 58: trace = 1.073018272479906 (0.0022749% change) + iteration 54: trace = 1.073121259226807 (0.00255993% change) linmin: converged after 4 iterations. - iteration 59: trace = 1.072995024545216 (0.00216662% change) + iteration 55: trace = 1.073094338585364 (0.00250866% change) linmin: converged after 4 iterations. - iteration 60: trace = 1.072973064424986 (0.00204664% change) + iteration 56: trace = 1.073068095041238 (0.00244563% change) linmin: converged after 4 iterations. - iteration 61: trace = 1.072952465153288 (0.00191985% change) + iteration 57: trace = 1.073042682948385 (0.0023682% change) linmin: converged after 4 iterations. - iteration 62: trace = 1.072933243592049 (0.00179148% change) + iteration 58: trace = 1.073018272551503 (0.0022749% change) linmin: converged after 4 iterations. - iteration 63: trace = 1.072915368169544 (0.00166605% change) + iteration 59: trace = 1.072995024616579 (0.00216662% change) linmin: converged after 5 iterations. - iteration 64: trace = 1.072898773417836 (0.00154671% change) + iteration 60: trace = 1.072973064496317 (0.00204664% change) linmin: converged after 4 iterations. - iteration 65: trace = 1.072883375846549 (0.00143515% change) + iteration 61: trace = 1.072952465224757 (0.00191985% change) linmin: converged after 4 iterations. - iteration 66: trace = 1.072869086925411 (0.00133183% change) + iteration 62: trace = 1.072933243663793 (0.00179148% change) linmin: converged after 4 iterations. - iteration 67: trace = 1.072855820948222 (0.0012365% change) + iteration 63: trace = 1.072915368241642 (0.00166605% change) + linmin: converged after 6 iterations. + iteration 64: trace = 1.072898773490337 (0.00154671% change) linmin: converged after 4 iterations. - iteration 68: trace = 1.072843497479269 (0.00114867% change) + iteration 65: trace = 1.07288337591944 (0.00143515% change) + linmin: converged after 5 iterations. + iteration 66: trace = 1.072869086998702 (0.00133183% change) + linmin: converged after 5 iterations. + iteration 67: trace = 1.072855821021881 (0.0012365% change) linmin: converged after 4 iterations. - iteration 69: trace = 1.072832039536612 (0.001068% change) + iteration 68: trace = 1.072843497553276 (0.00114867% change) + linmin: converged after 3 iterations. + iteration 69: trace = 1.072832039610928 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) + linmin: converged after 3 iterations. + iteration 70: trace = 1.072198123251259 (0.0591056% change) + linmin: converged after 15 iterations. + iteration 71: trace = 1.07134711810174 (0.0794017% change) linmin: converged after 5 iterations. - iteration 70: trace = 1.072198123222229 (0.0591056% change) - linmin: converged after 5 iterations. - iteration 71: trace = 1.07134711808592 (0.0794016% change) - linmin: converged after 5 iterations. - iteration 72: trace = 1.070541462636204 (0.0752285% change) + iteration 72: trace = 1.070541462572527 (0.0752285% change) linmin: converged after 5 iterations. - iteration 73: trace = 1.069893830379659 (0.0605141% change) + iteration 73: trace = 1.069893830362633 (0.0605141% change) linmin: converged after 4 iterations. - iteration 74: trace = 1.069675879036915 (0.0203734% change) + iteration 74: trace = 1.069675879029691 (0.0203734% change) linmin: converged after 4 iterations. - iteration 75: trace = 1.069604565047892 (0.0066671% change) + iteration 75: trace = 1.069604565043349 (0.0066671% change) linmin: converged after 4 iterations. - iteration 76: trace = 1.06958204121485 (0.00210583% change) + iteration 76: trace = 1.069582041212672 (0.00210583% change) linmin: converged after 4 iterations. - iteration 77: trace = 1.069571765034283 (0.000960771% change) + iteration 77: trace = 1.069571765034014 (0.00096077% change) linmin: converged after 3 iterations. - iteration 78: trace = 1.069569886834971 (0.000175603% change) - linmin: converged after 4 iterations. - iteration 79: trace = 1.069568934568026 (8.90327e-05% change) - linmin: converged after 4 iterations. - iteration 80: trace = 1.069568397381281 (5.02246e-05% change) + iteration 78: trace = 1.069569886834663 (0.000175603% change) + linmin: converged after 6 iterations. + iteration 79: trace = 1.069568934567785 (8.90327e-05% change) linmin: converged after 3 iterations. - iteration 81: trace = 1.069567984275015 (3.86236e-05% change) - linmin: converged after 4 iterations. - iteration 82: trace = 1.06956778417198 (1.87088e-05% change) - linmin: converged after 4 iterations. - iteration 83: trace = 1.069567559606762 (2.09959e-05% change) + iteration 80: trace = 1.069568397381151 (5.02246e-05% change) linmin: converged after 3 iterations. - iteration 84: trace = 1.069567395325875 (1.53596e-05% change) + iteration 81: trace = 1.069567984274982 (3.86236e-05% change) + linmin: converged after 4 iterations. + iteration 82: trace = 1.069567784172004 (1.87088e-05% change) + linmin: converged after 5 iterations. + iteration 83: trace = 1.069567559606812 (2.09959e-05% change) + linmin: converged after 13 iterations. + iteration 84: trace = 1.069567395325959 (1.53596e-05% change) linmin: converged after 3 iterations. - iteration 85: trace = 1.069567279689847 (1.08115e-05% change) + iteration 85: trace = 1.069567279689911 (1.08115e-05% change) linmin: converged after 3 iterations. - iteration 86: trace = 1.069567202427431 (7.22371e-06% change) + iteration 86: trace = 1.069567202427513 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735025 (7.35741e-06% change) - linmin: converged after 7 iterations. - iteration 88: trace = 1.069566990371044 (1.2469e-05% change) - linmin: converged after 5 iterations. - iteration 89: trace = 1.069566806433107 (1.71974e-05% change) linmin: converged after 3 iterations. - iteration 90: trace = 1.069566611503709 (1.82251e-05% change) - linmin: converged after 4 iterations. - iteration 91: trace = 1.069566258366281 (3.30169e-05% change) + iteration 88: trace = 1.069566990371064 (1.2469e-05% change) + linmin: converged after 6 iterations. + iteration 89: trace = 1.069566806433226 (1.71974e-05% change) linmin: converged after 3 iterations. - iteration 92: trace = 1.069565649806524 (5.68978e-05% change) + iteration 90: trace = 1.069566611503603 (1.82251e-05% change) + linmin: converged after 3 iterations. + iteration 91: trace = 1.06956625836616 (3.30169e-05% change) + linmin: converged after 7 iterations. + iteration 92: trace = 1.069565649806643 (5.68978e-05% change) large trace change predicted (0.000165075%) - linmin: converged after 5 iterations. - iteration 93: trace = 1.069563887331198 (0.000164784% change) + linmin: converged after 4 iterations. + iteration 93: trace = 1.069563887330695 (0.000164784% change) large trace change predicted (0.000584339%) linmin: converged after 5 iterations. - iteration 94: trace = 1.069557815153178 (0.000567726% change) - large trace change predicted (0.00612952%) + iteration 94: trace = 1.069557815156878 (0.000567726% change) + large trace change predicted (0.0061294%) linmin: converged after 7 iterations. - iteration 95: trace = 1.0695318393753 (0.00242868% change) + iteration 95: trace = 1.069531839644754 (0.00242865% change) + linmin: converged after 9 iterations. + iteration 96: trace = 1.069511580257867 (0.00189425% change) + linmin: converged after 9 iterations. + iteration 97: trace = 1.069496500451968 (0.00140998% change) linmin: converged after 6 iterations. - iteration 96: trace = 1.069511579760979 (0.00189427% change) + iteration 98: trace = 1.069483717677052 (0.00119522% change) linmin: converged after 7 iterations. - iteration 97: trace = 1.069496499929513 (0.00140998% change) + iteration 99: trace = 1.069471278223669 (0.00116313% change) linmin: converged after 6 iterations. - iteration 98: trace = 1.069483717208566 (0.00119522% change) + iteration 100: trace = 1.06945923417496 (0.00112617% change) + linmin: converged after 6 iterations. + iteration 101: trace = 1.069448851327664 (0.000970855% change) + linmin: converged after 7 iterations. + iteration 102: trace = 1.069440423052233 (0.000788098% change) linmin: converged after 8 iterations. - iteration 99: trace = 1.069471278002454 (0.00116311% change) + iteration 103: trace = 1.06943341629119 (0.000655182% change) linmin: converged after 6 iterations. - iteration 100: trace = 1.069459234328299 (0.00112614% change) + iteration 104: trace = 1.069427351691511 (0.000567087% change) linmin: converged after 8 iterations. - iteration 101: trace = 1.069448851818544 (0.000970823% change) + iteration 105: trace = 1.069421991950771 (0.00050118% change) linmin: converged after 6 iterations. - iteration 102: trace = 1.069440423652579 (0.000788088% change) + iteration 106: trace = 1.069417237263017 (0.000444605% change) + linmin: converged after 5 iterations. + iteration 107: trace = 1.069413021661628 (0.000394197% change) linmin: converged after 7 iterations. - iteration 103: trace = 1.069433417062416 (0.000655166% change) + iteration 108: trace = 1.069409271797955 (0.000350648% change) + linmin: converged after 8 iterations. + iteration 109: trace = 1.069405907926083 (0.000314555% change) linmin: converged after 7 iterations. - iteration 104: trace = 1.069427352560829 (0.000567078% change) - linmin: converged after 5 iterations. - iteration 105: trace = 1.069421992889284 (0.000501173% change) - linmin: converged after 5 iterations. - iteration 106: trace = 1.069417238258524 (0.000444599% change) - linmin: converged after 6 iterations. - iteration 107: trace = 1.069413022711929 (0.000394192% change) - linmin: converged after 5 iterations. - iteration 108: trace = 1.069409272903281 (0.000350642% change) - linmin: converged after 5 iterations. - iteration 109: trace = 1.069405909086114 (0.00031455% change) - linmin: converged after 9 iterations. - iteration 110: trace = 1.069402857543029 (0.00028535% change) + iteration 110: trace = 1.069402856330468 (0.000285355% change) linmin: converged after 6 iterations. - iteration 111: trace = 1.069400058789466 (0.000261712% change) + iteration 111: trace = 1.069400057690149 (0.000261702% change) linmin: converged after 7 iterations. - iteration 112: trace = 1.069397468893129 (0.000242182% change) - linmin: converged after 5 iterations. - iteration 113: trace = 1.069395056336093 (0.0002256% change) - linmin: converged after 5 iterations. - iteration 114: trace = 1.069392796769096 (0.000211294% change) + iteration 112: trace = 1.069397467746005 (0.000242187% change) linmin: converged after 4 iterations. - iteration 115: trace = 1.069390669235911 (0.000198948% change) + iteration 113: trace = 1.069395055147854 (0.000225604% change) + linmin: converged after 5 iterations. + iteration 114: trace = 1.069392795548008 (0.000211297% change) linmin: converged after 6 iterations. - iteration 116: trace = 1.069388653020932 (0.000188539% change) + iteration 115: trace = 1.069390667986788 (0.000198951% change) linmin: converged after 5 iterations. - iteration 117: trace = 1.069386726767586 (0.000180127% change) + iteration 116: trace = 1.069388651793125 (0.000188537% change) linmin: converged after 5 iterations. - iteration 118: trace = 1.06938486864618 (0.000173756% change) - linmin: converged after 7 iterations. - iteration 119: trace = 1.069383057624751 (0.000169352% change) + iteration 117: trace = 1.069386725485558 (0.000180132% change) linmin: converged after 6 iterations. - iteration 120: trace = 1.069381274636213 (0.000166731% change) + iteration 118: trace = 1.069384867350977 (0.000173757% change) linmin: converged after 6 iterations. - iteration 121: trace = 1.069379503886843 (0.000165586% change) + iteration 119: trace = 1.069383056347029 (0.00016935% change) + linmin: converged after 5 iterations. + iteration 120: trace = 1.069381273352052 (0.000166731% change) linmin: converged after 6 iterations. - iteration 122: trace = 1.069377733784665 (0.000165526% change) + iteration 121: trace = 1.069379502575999 (0.000165589% change) + linmin: converged after 8 iterations. + iteration 122: trace = 1.069377732475111 (0.000165526% change) + linmin: converged after 9 iterations. + iteration 123: trace = 1.069375956296534 (0.000166095% change) linmin: converged after 6 iterations. - iteration 123: trace = 1.069375957626534 (0.000166093% change) - linmin: converged after 5 iterations. - iteration 124: trace = 1.069374173676397 (0.000166822% change) + iteration 124: trace = 1.069374172381471 (0.000166818% change) linmin: converged after 6 iterations. - iteration 125: trace = 1.069372384828548 (0.00016728% change) + iteration 125: trace = 1.069372383543138 (0.000167279% change) linmin: converged after 6 iterations. - iteration 126: trace = 1.069370597594982 (0.000167129% change) - linmin: converged after 3 iterations. - iteration 127: trace = 1.069368820817571 (0.000166152% change) + iteration 126: trace = 1.069370596350157 (0.000167126% change) + linmin: converged after 6 iterations. + iteration 127: trace = 1.069368819614125 (0.000166148% change) linmin: converged after 5 iterations. - iteration 128: trace = 1.069367064200896 (0.000164267% change) - linmin: converged after 7 iterations. - iteration 129: trace = 1.069365336945035 (0.000161521% change) + iteration 128: trace = 1.069367063038153 (0.000164263% change) + linmin: converged after 6 iterations. + iteration 129: trace = 1.069365335794284 (0.00016152% change) linmin: converged after 5 iterations. - iteration 130: trace = 1.069363646696952 (0.000158061% change) + iteration 130: trace = 1.069363645584814 (0.000158057% change) linmin: converged after 5 iterations. - iteration 131: trace = 1.069361998925969 (0.000154089% change) - linmin: converged after 6 iterations. - iteration 132: trace = 1.069360396730828 (0.000149827% change) - linmin: converged after 7 iterations. - iteration 133: trace = 1.069358841023606 (0.00014548% change) - linmin: converged after 7 iterations. - iteration 134: trace = 1.069357330847907 (0.000141223% change) + iteration 131: trace = 1.069361997825419 (0.000154088% change) + linmin: converged after 8 iterations. + iteration 132: trace = 1.069360395640989 (0.000149826% change) + linmin: converged after 9 iterations. + iteration 133: trace = 1.069358839926056 (0.000145481% change) + linmin: converged after 10 iterations. + iteration 134: trace = 1.069357329779302 (0.00014122% change) linmin: converged after 7 iterations. - iteration 135: trace = 1.069355864006598 (0.00013717% change) - linmin: converged after 4 iterations. - iteration 136: trace = 1.069354437526572 (0.000133396% change) + iteration 135: trace = 1.069355862957836 (0.000137169% change) linmin: converged after 5 iterations. - iteration 137: trace = 1.069353048109181 (0.000129931% change) - linmin: converged after 3 iterations. - iteration 138: trace = 1.069351692610627 (0.000126759% change) + iteration 136: trace = 1.069354436480057 (0.000133396% change) + linmin: converged after 8 iterations. + iteration 137: trace = 1.069353047073695 (0.00012993% change) linmin: converged after 5 iterations. - iteration 139: trace = 1.069350368293581 (0.000123843% change) + iteration 138: trace = 1.069351691598919 (0.000126757% change) + linmin: converged after 5 iterations. + iteration 139: trace = 1.069350367291781 (0.000123842% change) resetting CG direction... - large trace change predicted (0.0145453%) + large trace change predicted (0.0145455%) linmin: converged after 4 iterations. - iteration 140: trace = 1.069194675254351 (0.0145607% change) - linmin: converged after 3 iterations. - iteration 141: trace = 1.069117230253728 (0.00724356% change) + iteration 140: trace = 1.069194672200936 (0.0145608% change) linmin: converged after 3 iterations. - iteration 142: trace = 1.06907543477742 (0.00390942% change) + iteration 141: trace = 1.069117227180259 (0.00724357% change) + linmin: converged after 5 iterations. + iteration 142: trace = 1.069075433321993 (0.00390927% change) linmin: converged after 3 iterations. - iteration 143: trace = 1.069028116200702 (0.00442622% change) + iteration 143: trace = 1.069028117437097 (0.00442597% change) + linmin: converged after 4 iterations. + iteration 144: trace = 1.068963768497982 (0.00601957% change) linmin: converged after 5 iterations. - iteration 144: trace = 1.068963765860093 (0.0060197% change) + iteration 145: trace = 1.068914038466646 (0.00465228% change) linmin: converged after 5 iterations. - iteration 145: trace = 1.068914036709401 (0.0046522% change) + iteration 146: trace = 1.068856701497523 (0.00536418% change) + linmin: converged after 6 iterations. + iteration 147: trace = 1.068800655831527 (0.00524365% change) linmin: converged after 5 iterations. - iteration 146: trace = 1.068856703439897 (0.00536384% change) - linmin: converged after 7 iterations. - iteration 147: trace = 1.068800660800506 (0.00524337% change) + iteration 148: trace = 1.068757368858115 (0.00405013% change) linmin: converged after 5 iterations. - iteration 148: trace = 1.068757374201714 (0.0040501% change) + iteration 149: trace = 1.06871741209543 (0.00373869% change) linmin: converged after 5 iterations. - iteration 149: trace = 1.068717416830468 (0.00373875% change) + iteration 150: trace = 1.06867892647319 (0.00360117% change) linmin: converged after 5 iterations. - iteration 150: trace = 1.068678930702913 (0.00360122% change) - linmin: converged after 3 iterations. - iteration 151: trace = 1.06865468902115 (0.0022684% change) - linmin: converged after 3 iterations. - iteration 152: trace = 1.068642740734154 (0.00111807% change) - linmin: converged after 3 iterations. - iteration 153: trace = 1.068637177274113 (0.000520611% change) - linmin: converged after 4 iterations. - iteration 154: trace = 1.068633794922339 (0.000316511% change) - linmin: converged after 7 iterations. - iteration 155: trace = 1.06863106225878 (0.000255716% change) + iteration 151: trace = 1.068654685720936 (0.00226832% change) linmin: converged after 5 iterations. - iteration 156: trace = 1.068628610397833 (0.00022944% change) + iteration 152: trace = 1.068642738115688 (0.00111801% change) linmin: converged after 5 iterations. - iteration 157: trace = 1.068627264760187 (0.000125922% change) + iteration 153: trace = 1.068637175261485 (0.000520555% change) + linmin: converged after 9 iterations. + iteration 154: trace = 1.068633793641155 (0.000316443% change) linmin: converged after 5 iterations. - iteration 158: trace = 1.068626757593553 (4.74596e-05% change) - linmin: converged after 2 iterations. - iteration 159: trace = 1.068626630692736 (1.18751e-05% change) - linmin: converged after 6 iterations. - iteration 160: trace = 1.06862659818787 (3.04174e-06% change) - linmin: converged after 7 iterations. - iteration 161: trace = 1.068626583524319 (1.37219e-06% change) - linmin: converged after 4 iterations. - iteration 162: trace = 1.068626572372177 (1.0436e-06% change) - linmin: converged after 17 iterations. - iteration 163: trace = 1.068626562833234 (8.92636e-07% change) - linmin: converged after 4 iterations. - iteration 164: trace = 1.068626555544765 (6.82041e-07% change) + iteration 155: trace = 1.068631061597097 (0.000255658% change) + linmin: converged after 5 iterations. + iteration 156: trace = 1.068628610214573 (0.000229395% change) + linmin: converged after 5 iterations. + iteration 157: trace = 1.068627264705593 (0.00012591% change) linmin: converged after 4 iterations. - iteration 165: trace = 1.068626551016004 (4.23793e-07% change) - linmin: converged after 18 iterations. - iteration 166: trace = 1.068626547261434 (3.51345e-07% change) + iteration 158: trace = 1.068626757565474 (4.74572e-05% change) + linmin: converged after 6 iterations. + iteration 159: trace = 1.068626630672032 (1.18744e-05% change) + linmin: converged after 8 iterations. + iteration 160: trace = 1.068626598168096 (3.04166e-06% change) linmin: converged after 4 iterations. - iteration 167: trace = 1.068626545003543 (2.11289e-07% change) + iteration 161: trace = 1.06862658350739 (1.37192e-06% change) linmin: converged after 4 iterations. - iteration 168: trace = 1.068626543627342 (1.28782e-07% change) + iteration 162: trace = 1.068626572358528 (1.04329e-06% change) + linmin: converged after 5 iterations. + iteration 163: trace = 1.06862656282348 (8.92271e-07% change) + linmin: converged after 5 iterations. + iteration 164: trace = 1.06862655553583 (6.81964e-07% change) + linmin: converged after 5 iterations. + iteration 165: trace = 1.068626551007521 (4.2375e-07% change) linmin: converged after 4 iterations. - iteration 169: trace = 1.068626542452444 (1.09945e-07% change) + iteration 166: trace = 1.068626547254211 (3.51227e-07% change) + linmin: converged after 5 iterations. + iteration 167: trace = 1.068626544996587 (2.11264e-07% change) + linmin: converged after 5 iterations. + iteration 168: trace = 1.068626543620605 (1.28762e-07% change) + linmin: converged after 7 iterations. + iteration 169: trace = 1.068626542445714 (1.09944e-07% change) + linmin: converged after 9 iterations. + iteration 170: trace = 1.06862654076488 (1.57289e-07% change) + large trace change predicted (3.14977e-07%) + linmin: converged after 24 iterations. + iteration 171: trace = 1.068626537399951 (3.14884e-07% change) linmin: converged after 4 iterations. - iteration 170: trace = 1.068626540770191 (1.57422e-07% change) - large trace change predicted (3.15125e-07%) - linmin: converged after 3 iterations. - iteration 171: trace = 1.068626537403159 (3.1508e-07% change) + iteration 172: trace = 1.068626533718157 (3.44535e-07% change) linmin: converged after 4 iterations. - iteration 172: trace = 1.068626533718485 (3.44805e-07% change) - linmin: converged after 5 iterations. - iteration 173: trace = 1.068626531659319 (1.92693e-07% change) + iteration 173: trace = 1.068626531658123 (1.92774e-07% change) + linmin: converged after 6 iterations. + iteration 174: trace = 1.068626530812102 (7.91691e-08% change) linmin: converged after 12 iterations. - iteration 174: trace = 1.068626530813899 (7.91128e-08% change) + iteration 175: trace = 1.068626530492099 (2.99452e-08% change) + linmin: converged after 9 iterations. + iteration 176: trace = 1.068626530327507 (1.54022e-08% change) linmin: converged after 4 iterations. - iteration 175: trace = 1.068626530493501 (2.99822e-08% change) - linmin: converged after 8 iterations. - iteration 176: trace = 1.068626530327915 (1.54952e-08% change) + iteration 177: trace = 1.068626530253259 (6.94804e-09% change) linmin: converged after 7 iterations. - iteration 177: trace = 1.068626530255735 (6.75449e-09% change) - linmin: converged after 8 iterations. - iteration 178: trace = 1.068626530159325 (9.02182e-09% change) - large trace change predicted (2.1269e-08%) + iteration 178: trace = 1.068626530158072 (8.90737e-09% change) + large trace change predicted (2.1289e-08%) linmin: converged after 3 iterations. - iteration 179: trace = 1.06862652993207 (2.12661e-08% change) - linmin: converged after 4 iterations. - iteration 180: trace = 1.06862652955126 (3.56355e-08% change) + iteration 179: trace = 1.068626529930754 (2.1272e-08% change) + linmin: converged after 15 iterations. + iteration 180: trace = 1.068626529548319 (3.57875e-08% change) + linmin: converged after 6 iterations. + iteration 181: trace = 1.068626528964314 (5.46501e-08% change) + linmin: converged after 3 iterations. + iteration 182: trace = 1.068626528417228 (5.11952e-08% change) linmin: converged after 4 iterations. - iteration 181: trace = 1.068626528972186 (5.41886e-08% change) - linmin: converged after 13 iterations. - iteration 182: trace = 1.068626528427956 (5.0928e-08% change) + iteration 183: trace = 1.068626527716322 (6.55895e-08% change) linmin: converged after 4 iterations. - iteration 183: trace = 1.068626527725372 (6.57464e-08% change) - linmin: converged after 17 iterations. - iteration 184: trace = 1.068626526903829 (7.68784e-08% change) - linmin: converged after 5 iterations. - iteration 185: trace = 1.068626526188851 (6.69063e-08% change) - linmin: converged after 22 iterations. - iteration 186: trace = 1.068626525702495 (4.55123e-08% change) - linmin: converged after 7 iterations. - iteration 187: trace = 1.068626525446816 (2.39259e-08% change) - linmin: converged after 5 iterations. - iteration 188: trace = 1.068626525377523 (6.48431e-09% change) - linmin: converged after 4 iterations. - iteration 189: trace = 1.068626525351376 (2.44673e-09% change) + iteration 184: trace = 1.06862652689721 (7.66509e-08% change) linmin: converged after 3 iterations. - iteration 190: trace = 1.068626525337289 (1.31829e-09% change) - linmin: converged after 5 iterations. - iteration 191: trace = 1.068626525323919 (1.25109e-09% change) - linmin: converged after 5 iterations. - iteration 192: trace = 1.068626525309889 (1.31289e-09% change) + iteration 185: trace = 1.068626526186427 (6.65138e-08% change) + linmin: converged after 15 iterations. + iteration 186: trace = 1.068626525702615 (4.52742e-08% change) linmin: converged after 3 iterations. - iteration 193: trace = 1.068626525301902 (7.47403e-10% change) + iteration 187: trace = 1.068626525445696 (2.4042e-08% change) linmin: converged after 3 iterations. - iteration 194: trace = 1.068626525299489 (2.25842e-10% change) - linmin: converged after 5 iterations. - iteration 195: trace = 1.068626525298474 (9.49993e-11% change) + iteration 188: trace = 1.068626525378945 (6.24643e-09% change) + linmin: converged after 3 iterations. + iteration 189: trace = 1.068626525351855 (2.53498e-09% change) + linmin: converged after 3 iterations. + iteration 190: trace = 1.068626525338215 (1.27644e-09% change) + linmin: converged after 4 iterations. + iteration 191: trace = 1.068626525323278 (1.39781e-09% change) + linmin: converged after 3 iterations. + iteration 192: trace = 1.068626525309726 (1.26813e-09% change) + linmin: converged after 4 iterations. + iteration 193: trace = 1.068626525303432 (5.88946e-10% change) + linmin: converged after 3 iterations. + iteration 194: trace = 1.068626525299555 (3.62876e-10% change) + linmin: converged after 4 iterations. + iteration 195: trace = 1.068626525299044 (4.77698e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 -elapsed time for k point: 1.4533374309539795 +elapsed time for k point: 32.71226191520691 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.096763739673433 (4.83164% change) + iteration 1: trace = 1.096763739714435 (4.83164% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.082691277204076 (1.29137% change) + iteration 2: trace = 1.082691277220374 (1.29137% change) linmin: converged after 3 iterations. - iteration 3: trace = 1.079957258274913 (0.25284% change) + iteration 3: trace = 1.07995725828511 (0.25284% change) linmin: converged after 5 iterations. - iteration 4: trace = 1.077647734906971 (0.214082% change) + iteration 4: trace = 1.077647734912909 (0.214082% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.076735252406284 (0.0847094% change) + iteration 5: trace = 1.076735252410888 (0.0847094% change) linmin: converged after 5 iterations. - iteration 6: trace = 1.075213698394248 (0.141412% change) + iteration 6: trace = 1.075213698395311 (0.141412% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.074492218821799 (0.0671236% change) + iteration 7: trace = 1.074492218822376 (0.0671236% change) linmin: converged after 3 iterations. - iteration 8: trace = 1.074213739470217 (0.0259207% change) + iteration 8: trace = 1.07421373947036 (0.0259207% change) linmin: converged after 3 iterations. - iteration 9: trace = 1.074138188248154 (0.00703341% change) + iteration 9: trace = 1.074138188248215 (0.00703341% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.074123932233194 (0.00132721% change) + iteration 10: trace = 1.074123932233192 (0.00132721% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.074120393731402 (0.000329432% change) + iteration 11: trace = 1.074120393731372 (0.000329432% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.074119608457271 (7.31086e-05% change) + iteration 12: trace = 1.07411960845723 (7.31086e-05% change) linmin: converged after 2 iterations. - iteration 13: trace = 1.074119350200989 (2.40435e-05% change) - linmin: converged after 23 iterations. - iteration 14: trace = 1.074119193441808 (1.45942e-05% change) - linmin: converged after 4 iterations. - iteration 15: trace = 1.074119086974381 (9.91207e-06% change) - linmin: converged after 6 iterations. - iteration 16: trace = 1.074118998456916 (8.24094e-06% change) - linmin: converged after 2 iterations. - iteration 17: trace = 1.074118951618436 (4.36064e-06% change) + iteration 13: trace = 1.074119350200927 (2.40435e-05% change) + linmin: converged after 13 iterations. + iteration 14: trace = 1.074119193441737 (1.45942e-05% change) + linmin: converged after 27 iterations. + iteration 15: trace = 1.074119086974316 (9.91207e-06% change) + linmin: converged after 18 iterations. + iteration 16: trace = 1.074118998457055 (8.24092e-06% change) + linmin: converged after 5 iterations. + iteration 17: trace = 1.074118951618513 (4.36065e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.074118930564172 (1.96014e-06% change) + iteration 18: trace = 1.074118930564162 (1.96015e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.074118922698118 (7.32326e-07% change) + iteration 19: trace = 1.074118922698096 (7.32327e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.07411892043466 (2.10727e-07% change) + iteration 20: trace = 1.074118920434621 (2.10728e-07% change) + linmin: converged after 6 iterations. + iteration 21: trace = 1.074118919547732 (8.2569e-08% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.074118919547777 (8.25684e-08% change) + iteration 22: trace = 1.074118918877308 (6.24162e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.074118918877372 (6.24144e-08% change) - linmin: converged after 4 iterations. - iteration 23: trace = 1.074118918119953 (7.05154e-08% change) + iteration 23: trace = 1.074118918119876 (7.05165e-08% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.074118917268398 (7.92794e-08% change) + iteration 24: trace = 1.074118917268323 (7.92793e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.074118916472551 (7.4093e-08% change) + iteration 25: trace = 1.074118916472489 (7.40917e-08% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.074118915070759 (1.30506e-07% change) - large trace change predicted (3.47242e-07%) + iteration 26: trace = 1.074118915070731 (1.30503e-07% change) + large trace change predicted (3.47228e-07%) linmin: converged after 2 iterations. - iteration 27: trace = 1.074118911340963 (3.47242e-07% change) - large trace change predicted (1.06063e-06%) + iteration 27: trace = 1.074118911341084 (3.47229e-07% change) + large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. - iteration 28: trace = 1.074118899948507 (1.06063e-06% change) - large trace change predicted (3.74565e-06%) - linmin: converged after 4 iterations. - iteration 29: trace = 1.074118859717751 (3.74547e-06% change) - large trace change predicted (2.30255e-05%) - linmin: converged after 4 iterations. - iteration 30: trace = 1.074118613428314 (2.29294e-05% change) - near maximum in trace - linmin: converged after 16 iterations. - iteration 31: trace = 1.074108656698122 (0.000926972% change) + iteration 28: trace = 1.074118899949536 (1.06055e-06% change) + large trace change predicted (3.74502e-06%) + linmin: converged after 3 iterations. + iteration 29: trace = 1.074118859725554 (3.74484e-06% change) + large trace change predicted (2.30121e-05%) linmin: converged after 5 iterations. - iteration 32: trace = 1.074107966544532 (6.42536e-05% change) - linmin: converged after 4 iterations. - iteration 33: trace = 1.07410727472049 (6.44092e-05% change) - linmin: converged after 10 iterations. - iteration 34: trace = 1.074106574009499 (6.52366e-05% change) - linmin: converged after 6 iterations. - iteration 35: trace = 1.074105855523687 (6.68915e-05% change) + iteration 30: trace = 1.074118613577724 (2.29163e-05% change) + near maximum in trace + linmin: converged after 13 iterations. + iteration 31: trace = 1.074108654723984 (0.000927169% change) + linmin: converged after 8 iterations. + iteration 32: trace = 1.074107964424338 (6.42672e-05% change) linmin: converged after 7 iterations. - iteration 36: trace = 1.074105112605725 (6.91662e-05% change) - linmin: converged after 10 iterations. - iteration 37: trace = 1.074104342094742 (7.17352e-05% change) + iteration 33: trace = 1.074107272412818 (6.44266e-05% change) + linmin: converged after 5 iterations. + iteration 34: trace = 1.074106571471413 (6.52581e-05% change) linmin: converged after 8 iterations. - iteration 38: trace = 1.0741035448338 (7.42257e-05% change) + iteration 35: trace = 1.074105852707999 (6.69174e-05% change) linmin: converged after 6 iterations. - iteration 39: trace = 1.074102725502528 (7.62805e-05% change) + iteration 36: trace = 1.074105109461725 (6.91968e-05% change) linmin: converged after 6 iterations. - iteration 40: trace = 1.074101891626886 (7.76347e-05% change) + iteration 37: trace = 1.0741043385726 (7.17704e-05% change) linmin: converged after 6 iterations. - iteration 41: trace = 1.074101052043556 (7.81661e-05% change) + iteration 38: trace = 1.074103540892071 (7.42647e-05% change) linmin: converged after 6 iterations. - iteration 42: trace = 1.074100215512912 (7.7882e-05% change) - linmin: converged after 5 iterations. - iteration 43: trace = 1.074099390029498 (7.68535e-05% change) + iteration 39: trace = 1.074102721116606 (7.63219e-05% change) linmin: converged after 6 iterations. - iteration 44: trace = 1.07409858279094 (7.5155e-05% change) - linmin: converged after 5 iterations. - iteration 45: trace = 1.074097800360144 (7.28454e-05% change) - linmin: converged after 5 iterations. - iteration 46: trace = 1.074097048603555 (6.99896e-05% change) + iteration 40: trace = 1.074101886794994 (7.76762e-05% change) + linmin: converged after 6 iterations. + iteration 41: trace = 1.074101046787423 (7.82056e-05% change) + linmin: converged after 6 iterations. + iteration 42: trace = 1.074100209873489 (7.79176e-05% change) + linmin: converged after 6 iterations. + iteration 43: trace = 1.074099384060022 (7.68842e-05% change) + linmin: converged after 6 iterations. + iteration 44: trace = 1.074098576549985 (7.51802e-05% change) + linmin: converged after 4 iterations. + iteration 45: trace = 1.074097793906102 (7.28652e-05% change) + linmin: converged after 6 iterations. + iteration 46: trace = 1.074097041990257 (7.00044e-05% change) + linmin: converged after 6 iterations. + iteration 47: trace = 1.074096325593049 (6.66976e-05% change) + linmin: converged after 4 iterations. + iteration 48: trace = 1.074095647953676 (6.30893e-05% change) linmin: converged after 5 iterations. - iteration 47: trace = 1.074096332319352 (6.66871e-05% change) + iteration 49: trace = 1.07409501044025 (5.93535e-05% change) + linmin: converged after 4 iterations. + iteration 50: trace = 1.074094412542477 (5.56653e-05% change) + linmin: converged after 6 iterations. + iteration 51: trace = 1.074093852160968 (5.21725e-05% change) linmin: converged after 5 iterations. - iteration 48: trace = 1.074095654755912 (6.30822e-05% change) + iteration 52: trace = 1.074093326068317 (4.89801e-05% change) linmin: converged after 5 iterations. - iteration 49: trace = 1.074095017290545 (5.9349e-05% change) + iteration 53: trace = 1.07409283040426 (4.61472e-05% change) + linmin: converged after 6 iterations. + iteration 54: trace = 1.074092361107019 (4.36924e-05% change) linmin: converged after 5 iterations. - iteration 50: trace = 1.074094419421247 (5.56626e-05% change) + iteration 55: trace = 1.074091914239057 (4.16042e-05% change) linmin: converged after 6 iterations. - iteration 51: trace = 1.0740938590551 (5.2171e-05% change) + iteration 56: trace = 1.074091486203431 (3.98509e-05% change) + linmin: converged after 11 iterations. + iteration 57: trace = 1.074091073868095 (3.83892e-05% change) + linmin: converged after 4 iterations. + iteration 58: trace = 1.074090674622949 (3.71705e-05% change) linmin: converged after 5 iterations. - iteration 52: trace = 1.074093332969372 (4.89795e-05% change) + iteration 59: trace = 1.074090286370427 (3.61471e-05% change) linmin: converged after 5 iterations. - iteration 53: trace = 1.07409283730664 (4.61471e-05% change) - linmin: converged after 7 iterations. - iteration 54: trace = 1.074092368006907 (4.36927e-05% change) + iteration 60: trace = 1.074089907515096 (3.52722e-05% change) linmin: converged after 5 iterations. - iteration 55: trace = 1.074091921153065 (4.16029e-05% change) + iteration 61: trace = 1.074089536896985 (3.45053e-05% change) linmin: converged after 6 iterations. - iteration 56: trace = 1.074091493108769 (3.98517e-05% change) + iteration 62: trace = 1.074089173728303 (3.38118e-05% change) linmin: converged after 6 iterations. - iteration 57: trace = 1.074091080761861 (3.83903e-05% change) - linmin: converged after 8 iterations. - iteration 58: trace = 1.074090681508481 (3.71713e-05% change) - linmin: converged after 9 iterations. - iteration 59: trace = 1.074090293246655 (3.6148e-05% change) - linmin: converged after 4 iterations. - iteration 60: trace = 1.074089914377591 (3.52735e-05% change) - linmin: converged after 6 iterations. - iteration 61: trace = 1.07408954373525 (3.45076e-05% change) - linmin: converged after 6 iterations. - iteration 62: trace = 1.074089180545008 (3.38138e-05% change) + iteration 63: trace = 1.074088817519624 (3.31638e-05% change) linmin: converged after 6 iterations. - iteration 63: trace = 1.074088824311394 (3.31661e-05% change) + iteration 64: trace = 1.074088468010824 (3.254e-05% change) linmin: converged after 6 iterations. - iteration 64: trace = 1.074088474770379 (3.2543e-05% change) - linmin: converged after 10 iterations. - iteration 65: trace = 1.074088131812889 (3.19301e-05% change) - linmin: converged after 6 iterations. - iteration 66: trace = 1.074087795424909 (3.13185e-05% change) - linmin: converged after 5 iterations. - iteration 67: trace = 1.074087465637336 (3.0704e-05% change) + iteration 65: trace = 1.074088125087727 (3.19269e-05% change) linmin: converged after 5 iterations. - iteration 68: trace = 1.074087142486525 (3.00861e-05% change) + iteration 66: trace = 1.074087788736017 (3.13151e-05% change) + linmin: converged after 6 iterations. + iteration 67: trace = 1.074087458983267 (3.07007e-05% change) linmin: converged after 5 iterations. - iteration 69: trace = 1.074086825997921 (2.94658e-05% change) + iteration 68: trace = 1.074087135872057 (3.00824e-05% change) + linmin: converged after 9 iterations. + iteration 69: trace = 1.074086819424619 (2.9462e-05% change) resetting CG direction... - large trace change predicted (0.00552424%) + large trace change predicted (0.00552481%) linmin: converged after 5 iterations. - iteration 70: trace = 1.074027485246541 (0.00552492% change) + iteration 70: trace = 1.07402747251898 (0.00552549% change) linmin: converged after 5 iterations. - iteration 71: trace = 1.073989958737312 (0.00349406% change) - linmin: converged after 13 iterations. - iteration 72: trace = 1.073965818187449 (0.00224777% change) - linmin: converged after 10 iterations. - iteration 73: trace = 1.073953308962991 (0.00116478% change) - linmin: converged after 4 iterations. - iteration 74: trace = 1.073950636146785 (0.000248877% change) - linmin: converged after 4 iterations. - iteration 75: trace = 1.07394945674702 (0.000109819% change) + iteration 71: trace = 1.07398995041125 (0.00349365% change) + linmin: converged after 12 iterations. + iteration 72: trace = 1.073965817824879 (0.00224703% change) + linmin: converged after 5 iterations. + iteration 73: trace = 1.073953308448255 (0.00116479% change) linmin: converged after 4 iterations. - iteration 76: trace = 1.073948845911354 (5.68775e-05% change) + iteration 74: trace = 1.073950635285913 (0.000248909% change) linmin: converged after 3 iterations. - iteration 77: trace = 1.073948013434697 (7.75155e-05% change) - linmin: converged after 10 iterations. - iteration 78: trace = 1.073947355326739 (6.12793e-05% change) + iteration 75: trace = 1.073949455745053 (0.000109832% change) + linmin: converged after 3 iterations. + iteration 76: trace = 1.07394884485721 (5.68824e-05% change) + linmin: converged after 3 iterations. + iteration 77: trace = 1.073948012638046 (7.74915e-05% change) linmin: converged after 3 iterations. - iteration 79: trace = 1.073947065924636 (2.69475e-05% change) + iteration 78: trace = 1.073947354176622 (6.13122e-05% change) + linmin: converged after 8 iterations. + iteration 79: trace = 1.073947064791119 (2.6946e-05% change) linmin: converged after 5 iterations. - iteration 80: trace = 1.073946951589583 (1.06462e-05% change) - linmin: converged after 7 iterations. - iteration 81: trace = 1.07394690485856 (4.35133e-06% change) - linmin: converged after 28 iterations. - iteration 82: trace = 1.073946875649276 (2.71981e-06% change) + iteration 80: trace = 1.073946950419187 (1.06497e-05% change) linmin: converged after 2 iterations. - iteration 83: trace = 1.073946858778201 (1.57094e-06% change) - linmin: converged after 4 iterations. - iteration 84: trace = 1.073946850180914 (8.00532e-07% change) - linmin: converged after 4 iterations. - iteration 85: trace = 1.073946845819172 (4.06141e-07% change) - linmin: converged after 23 iterations. - iteration 86: trace = 1.073946842398289 (3.18534e-07% change) + iteration 81: trace = 1.073946903710584 (4.34925e-06% change) linmin: converged after 4 iterations. - iteration 87: trace = 1.073946838808701 (3.34243e-07% change) - large trace change predicted (7.2606e-07%) - linmin: converged after 4 iterations. - iteration 88: trace = 1.073946831011176 (7.26062e-07% change) - large trace change predicted (1.48005e-06%) + iteration 82: trace = 1.073946874503159 (2.71963e-06% change) + linmin: converged after 3 iterations. + iteration 83: trace = 1.073946857634503 (1.57072e-06% change) + linmin: converged after 2 iterations. + iteration 84: trace = 1.073946849036259 (8.00621e-07% change) linmin: converged after 4 iterations. - iteration 89: trace = 1.073946815116237 (1.48005e-06% change) - large trace change predicted (4.36795e-06%) + iteration 85: trace = 1.073946844676049 (4.05999e-07% change) + linmin: converged after 3 iterations. + iteration 86: trace = 1.073946841259404 (3.18139e-07% change) linmin: converged after 4 iterations. - iteration 90: trace = 1.073946768207491 (4.36788e-06% change) + iteration 87: trace = 1.073946837676255 (3.33643e-07% change) + large trace change predicted (7.24233e-07%) + linmin: converged after 2 iterations. + iteration 88: trace = 1.073946829898374 (7.24233e-07% change) + large trace change predicted (1.47626e-06%) linmin: converged after 4 iterations. - iteration 91: trace = 1.073946679646164 (8.24634e-06% change) - linmin: converged after 11 iterations. - iteration 92: trace = 1.073946529630115 (1.39687e-05% change) - linmin: converged after 12 iterations. - iteration 93: trace = 1.07394636658434 (1.51819e-05% change) + iteration 89: trace = 1.073946814044193 (1.47625e-06% change) + large trace change predicted (4.35024e-06%) + linmin: converged after 5 iterations. + iteration 90: trace = 1.073946767325633 (4.35017e-06% change) linmin: converged after 4 iterations. - iteration 94: trace = 1.073946256689029 (1.02328e-05% change) + iteration 91: trace = 1.073946679145813 (8.21082e-06% change) + linmin: converged after 13 iterations. + iteration 92: trace = 1.07394653002807 (1.3885e-05% change) + linmin: converged after 3 iterations. + iteration 93: trace = 1.073946367807594 (1.51051e-05% change) + linmin: converged after 18 iterations. + iteration 94: trace = 1.073946258178413 (1.02081e-05% change) + linmin: converged after 8 iterations. + iteration 95: trace = 1.073946152215409 (9.8667e-06% change) + linmin: converged after 5 iterations. + iteration 96: trace = 1.073946055252216 (9.02868e-06% change) linmin: converged after 6 iterations. - iteration 95: trace = 1.073946150917233 (9.84889e-06% change) - linmin: converged after 4 iterations. - iteration 96: trace = 1.073946054412507 (8.98599e-06% change) - linmin: converged after 4 iterations. - iteration 97: trace = 1.073945952991739 (9.44375e-06% change) - linmin: converged after 4 iterations. - iteration 98: trace = 1.073945869427394 (7.78106e-06% change) + iteration 97: trace = 1.073945953332349 (9.49022e-06% change) + linmin: converged after 3 iterations. + iteration 98: trace = 1.073945869470469 (7.80876e-06% change) linmin: converged after 5 iterations. - iteration 99: trace = 1.073945843514159 (2.4129e-06% change) + iteration 99: trace = 1.073945843524601 (2.41594e-06% change) linmin: converged after 4 iterations. - iteration 100: trace = 1.073945837383465 (5.70857e-07% change) - linmin: converged after 4 iterations. - iteration 101: trace = 1.073945836402172 (9.13727e-08% change) - linmin: converged after 5 iterations. - iteration 102: trace = 1.073945836058164 (3.20322e-08% change) + iteration 100: trace = 1.073945837385287 (5.7166e-07% change) + linmin: converged after 12 iterations. + iteration 101: trace = 1.073945836402898 (9.14748e-08% change) linmin: converged after 4 iterations. - iteration 103: trace = 1.073945835877889 (1.67862e-08% change) - linmin: converged after 15 iterations. - iteration 104: trace = 1.073945835763829 (1.06206e-08% change) - linmin: converged after 8 iterations. - iteration 105: trace = 1.073945835716369 (4.41928e-09% change) + iteration 102: trace = 1.073945836058465 (3.20717e-08% change) + linmin: converged after 24 iterations. + iteration 103: trace = 1.073945835877968 (1.68069e-08% change) + linmin: converged after 19 iterations. + iteration 104: trace = 1.073945835763839 (1.06271e-08% change) linmin: converged after 6 iterations. - iteration 106: trace = 1.073945835701656 (1.36996e-09% change) + iteration 105: trace = 1.073945835716336 (4.42319e-09% change) linmin: converged after 4 iterations. - iteration 107: trace = 1.073945835696756 (4.56248e-10% change) - linmin: converged after 5 iterations. - iteration 108: trace = 1.073945835694339 (2.25054e-10% change) - linmin: converged after 16 iterations. - iteration 109: trace = 1.073945835692627 (1.59471e-10% change) + iteration 106: trace = 1.073945835701639 (1.36856e-09% change) linmin: converged after 4 iterations. - iteration 110: trace = 1.073945835691451 (1.09477e-10% change) + iteration 107: trace = 1.073945835696723 (4.57737e-10% change) linmin: converged after 3 iterations. - iteration 111: trace = 1.073945835690736 (6.6534e-11% change) + iteration 108: trace = 1.07394583569429 (2.26522e-10% change) + linmin: converged after 4 iterations. + iteration 109: trace = 1.073945835692681 (1.49795e-10% change) + linmin: converged after 2 iterations. + iteration 110: trace = 1.07394583569145 (1.14687e-10% change) + linmin: converged after 9 iterations. + iteration 111: trace = 1.073945835690716 (6.83328e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 0.8316891193389893 +elapsed time for k point: 15.83430528640747 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... - linmin: converged after 7 iterations. - iteration 1: trace = 1.093863490062953 (5.33663% change) + linmin: converged after 5 iterations. + iteration 1: trace = 1.093863490315585 (5.33663% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.078476777423022 (1.4166% change) + iteration 2: trace = 1.078476777229324 (1.4166% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.076328696936294 (0.199376% change) + iteration 3: trace = 1.076328696786045 (0.199376% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.075208255459858 (0.104153% change) + iteration 4: trace = 1.075208255370176 (0.104153% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.075035171470054 (0.016099% change) + iteration 5: trace = 1.075035171401586 (0.016099% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.074955695734378 (0.00739312% change) + iteration 6: trace = 1.074955695702394 (0.00739312% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.074896058827691 (0.005548% change) - linmin: converged after 5 iterations. - iteration 8: trace = 1.074864563437612 (0.00293013% change) + iteration 7: trace = 1.074896058822981 (0.005548% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.074852338414874 (0.00113736% change) + iteration 8: trace = 1.074864563442296 (0.00293013% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.07485001295351 (0.000216352% change) - linmin: converged after 5 iterations. - iteration 11: trace = 1.074849426039992 (5.46042e-05% change) + iteration 9: trace = 1.074852338420812 (0.00113736% change) + linmin: converged after 4 iterations. + iteration 10: trace = 1.074850012959476 (0.000216352% change) + linmin: converged after 4 iterations. + iteration 11: trace = 1.074849426045968 (5.46042e-05% change) linmin: converged after 6 iterations. - iteration 12: trace = 1.074849271420711 (1.43852e-05% change) - linmin: converged after 3 iterations. - iteration 13: trace = 1.074849229303241 (3.91845e-06% change) + iteration 12: trace = 1.074849271426672 (1.43852e-05% change) + linmin: converged after 4 iterations. + iteration 13: trace = 1.074849229309185 (3.91846e-06% change) linmin: converged after 2 iterations. - iteration 14: trace = 1.074849215176639 (1.31429e-06% change) + iteration 14: trace = 1.074849215182561 (1.31429e-06% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.074849211839921 (3.10436e-07% change) + iteration 15: trace = 1.074849211845827 (3.10437e-07% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.074849210730145 (1.03249e-07% change) + iteration 16: trace = 1.07484921073603 (1.03251e-07% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.074849209956638 (7.19642e-08% change) + iteration 17: trace = 1.074849209962486 (7.19677e-08% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.074849209015939 (8.75192e-08% change) + iteration 18: trace = 1.074849209021715 (8.75259e-08% change) linmin: converged after 4 iterations. - iteration 19: trace = 1.074849207771038 (1.15821e-07% change) + iteration 19: trace = 1.0748492077767 (1.15832e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.074849206713589 (9.83811e-08% change) + iteration 20: trace = 1.074849206719139 (9.83915e-08% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.074849205572246 (1.06186e-07% change) + iteration 21: trace = 1.074849205577648 (1.062e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.074849203568237 (1.86446e-07% change) + iteration 22: trace = 1.074849203573379 (1.8647e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 1.074849200243935 (3.09281e-07% change) + iteration 23: trace = 1.074849200248625 (3.09323e-07% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.074849195281871 (4.61652e-07% change) + iteration 24: trace = 1.074849195285907 (4.61713e-07% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.074849189783535 (5.11545e-07% change) - linmin: converged after 2 iterations. - iteration 26: trace = 1.074849181226479 (7.96117e-07% change) + iteration 25: trace = 1.074849189786891 (5.11608e-07% change) linmin: converged after 4 iterations. - iteration 27: trace = 1.074849167024555 (1.32129e-06% change) - linmin: converged after 26 iterations. - iteration 28: trace = 1.074849153567507 (1.25199e-06% change) - linmin: converged after 15 iterations. - iteration 29: trace = 1.07484914574267 (7.27994e-07% change) + iteration 26: trace = 1.074849181228871 (7.96207e-07% change) + linmin: converged after 30 iterations. + iteration 27: trace = 1.074849167025669 (1.32141e-06% change) + linmin: converged after 19 iterations. + iteration 28: trace = 1.074849153567851 (1.25207e-06% change) + linmin: converged after 13 iterations. + iteration 29: trace = 1.074849145742755 (7.28018e-07% change) linmin: converged after 4 iterations. - iteration 30: trace = 1.07484914229228 (3.21012e-07% change) - linmin: converged after 2 iterations. - iteration 31: trace = 1.074849140247109 (1.90275e-07% change) - linmin: converged after 2 iterations. - iteration 32: trace = 1.074849138714339 (1.42603e-07% change) + iteration 30: trace = 1.074849142292309 (3.21017e-07% change) + linmin: converged after 4 iterations. + iteration 31: trace = 1.074849140247114 (1.90277e-07% change) linmin: converged after 2 iterations. - iteration 33: trace = 1.07484913790628 (7.51788e-08% change) + iteration 32: trace = 1.074849138714339 (1.42604e-07% change) + linmin: converged after 3 iterations. + iteration 33: trace = 1.074849137906284 (7.51785e-08% change) linmin: converged after 2 iterations. - iteration 34: trace = 1.074849137608587 (2.76963e-08% change) + iteration 34: trace = 1.074849137608583 (2.7697e-08% change) linmin: converged after 2 iterations. - iteration 35: trace = 1.074849137533781 (6.95967e-09% change) + iteration 35: trace = 1.074849137533781 (6.9593e-09% change) linmin: converged after 3 iterations. - iteration 36: trace = 1.074849137516844 (1.57575e-09% change) - linmin: converged after 4 iterations. - iteration 37: trace = 1.074849137512893 (3.67613e-10% change) + iteration 36: trace = 1.074849137516844 (1.57571e-09% change) + linmin: converged after 2 iterations. + iteration 37: trace = 1.074849137512895 (3.67427e-10% change) linmin: converged after 4 iterations. - iteration 38: trace = 1.074849137511866 (9.55029e-11% change) + iteration 38: trace = 1.074849137511867 (9.56888e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.28838038444519043 +elapsed time for k point: 4.981858968734741 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.078756946613632 (0.894499% change) + iteration 1: trace = 1.078756946613439 (0.894499% change) linmin: converged after 5 iterations. - iteration 2: trace = 1.075235337851337 (0.326984% change) + iteration 2: trace = 1.07523533785071 (0.326984% change) linmin: converged after 5 iterations. - iteration 3: trace = 1.073638839444839 (0.148589% change) + iteration 3: trace = 1.073638839444135 (0.148589% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.073077825212561 (0.0522672% change) + iteration 4: trace = 1.073077825211994 (0.0522672% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.072780827453194 (0.027681% change) + iteration 5: trace = 1.072780827452753 (0.027681% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.0725869933016 (0.01807% change) + iteration 6: trace = 1.072586993301281 (0.01807% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.07244769196964 (0.0129883% change) + iteration 7: trace = 1.072447691969381 (0.0129883% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.072393266694897 (0.00507499% change) + iteration 8: trace = 1.072393266694636 (0.00507499% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.072363251703179 (0.00279892% change) + iteration 9: trace = 1.072363251702914 (0.00279892% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.072354631926419 (0.000803815% change) + iteration 10: trace = 1.072354631926145 (0.000803815% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.072350311748191 (0.000402869% change) - linmin: converged after 4 iterations. - iteration 12: trace = 1.072348215294496 (0.000195501% change) + iteration 11: trace = 1.072350311747915 (0.000402869% change) linmin: converged after 5 iterations. - iteration 13: trace = 1.072347360457896 (7.97164e-05% change) + iteration 12: trace = 1.072348215294225 (0.000195501% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.07234690214512 (4.27392e-05% change) - linmin: converged after 7 iterations. - iteration 15: trace = 1.072346623506627 (2.5984e-05% change) + iteration 13: trace = 1.072347360457624 (7.97164e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 1.072346902144856 (4.27392e-05% change) linmin: converged after 5 iterations. - iteration 16: trace = 1.072346159297832 (4.32891e-05% change) + iteration 15: trace = 1.072346623506356 (2.5984e-05% change) + linmin: converged after 5 iterations. + iteration 16: trace = 1.072346159297625 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. - iteration 17: trace = 1.072345068911444 (0.000101682% change) + iteration 17: trace = 1.07234506891175 (0.000101682% change) linmin: converged after 5 iterations. - iteration 18: trace = 1.072342995677928 (0.000193337% change) + iteration 18: trace = 1.072342995678537 (0.000193337% change) + linmin: converged after 8 iterations. + iteration 19: trace = 1.072339903847402 (0.000288325% change) + linmin: converged after 26 iterations. + iteration 20: trace = 1.072336586525834 (0.000309354% change) linmin: converged after 6 iterations. - iteration 19: trace = 1.072339903847039 (0.000288325% change) - linmin: converged after 23 iterations. - iteration 20: trace = 1.072336586525598 (0.000309354% change) - linmin: converged after 11 iterations. - iteration 21: trace = 1.072331067861508 (0.00051464% change) - linmin: converged after 16 iterations. - iteration 22: trace = 1.072320822252125 (0.000955457% change) + iteration 21: trace = 1.072331067862006 (0.00051464% change) + linmin: converged after 7 iterations. + iteration 22: trace = 1.072320822253961 (0.000955457% change) linmin: converged after 5 iterations. - iteration 23: trace = 1.072308842032009 (0.00111723% change) - linmin: converged after 9 iterations. - iteration 24: trace = 1.072300271285933 (0.000799283% change) + iteration 23: trace = 1.072308842032951 (0.00111723% change) linmin: converged after 4 iterations. - iteration 25: trace = 1.072297170565468 (0.000289166% change) - linmin: converged after 3 iterations. - iteration 26: trace = 1.072296311606445 (8.01046e-05% change) - linmin: converged after 3 iterations. - iteration 27: trace = 1.072296078653376 (2.17247e-05% change) - linmin: converged after 2 iterations. - iteration 28: trace = 1.072296014169118 (6.01366e-06% change) + iteration 24: trace = 1.072300271287299 (0.000799283% change) + linmin: converged after 4 iterations. + iteration 25: trace = 1.072297170565976 (0.000289166% change) linmin: converged after 3 iterations. - iteration 29: trace = 1.072295982384193 (2.96419e-06% change) - linmin: converged after 2 iterations. - iteration 30: trace = 1.072295961926063 (1.90788e-06% change) + iteration 26: trace = 1.072296311606951 (8.01046e-05% change) linmin: converged after 3 iterations. - iteration 31: trace = 1.07229595065531 (1.05109e-06% change) + iteration 27: trace = 1.072296078653387 (2.17247e-05% change) linmin: converged after 2 iterations. - iteration 32: trace = 1.072295945181689 (5.10458e-07% change) - linmin: converged after 3 iterations. - iteration 33: trace = 1.072295942506738 (2.4946e-07% change) - linmin: converged after 3 iterations. - iteration 34: trace = 1.072295940840406 (1.55398e-07% change) + iteration 28: trace = 1.072296014168804 (6.01369e-06% change) + linmin: converged after 5 iterations. + iteration 29: trace = 1.072295982383637 (2.96422e-06% change) + linmin: converged after 5 iterations. + iteration 30: trace = 1.072295961925382 (1.90789e-06% change) + linmin: converged after 6 iterations. + iteration 31: trace = 1.072295950654617 (1.05109e-06% change) linmin: converged after 2 iterations. - iteration 35: trace = 1.07229594000241 (7.81497e-08% change) + iteration 32: trace = 1.072295945181011 (5.10457e-07% change) + linmin: converged after 4 iterations. + iteration 33: trace = 1.072295942506064 (2.4946e-07% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.07229593966729 (3.12525e-08% change) + iteration 34: trace = 1.072295940839723 (1.55399e-07% change) linmin: converged after 2 iterations. - iteration 37: trace = 1.072295939535272 (1.23117e-08% change) + iteration 35: trace = 1.072295940001731 (7.81494e-08% change) linmin: converged after 2 iterations. - iteration 38: trace = 1.072295939490483 (4.17695e-09% change) - linmin: converged after 3 iterations. - iteration 39: trace = 1.072295939476572 (1.29734e-09% change) + iteration 36: trace = 1.07229593966661 (3.12526e-08% change) linmin: converged after 3 iterations. - iteration 40: trace = 1.072295939472061 (4.20609e-10% change) - linmin: converged after 3 iterations. - iteration 41: trace = 1.072295939469519 (2.37141e-10% change) + iteration 37: trace = 1.072295939534591 (1.23118e-08% change) linmin: converged after 4 iterations. - iteration 42: trace = 1.072295939465236 (3.99384e-10% change) - large trace change predicted (1.11617e-09%) - linmin: converged after 2 iterations. - iteration 43: trace = 1.072295939453271 (1.11586e-09% change) - large trace change predicted (2.52034e-09%) - linmin: converged after 3 iterations. - iteration 44: trace = 1.072295939426241 (2.52069e-09% change) + iteration 38: trace = 1.072295939489802 (4.17697e-09% change) linmin: converged after 2 iterations. - iteration 45: trace = 1.072295939386517 (3.7046e-09% change) + iteration 39: trace = 1.072295939475881 (1.29825e-09% change) linmin: converged after 2 iterations. - iteration 46: trace = 1.072295939340506 (4.29093e-09% change) + iteration 40: trace = 1.072295939471383 (4.19449e-10% change) + linmin: converged after 5 iterations. + iteration 41: trace = 1.07229593946885 (2.36189e-10% change) linmin: converged after 2 iterations. - iteration 47: trace = 1.072295939279455 (5.6935e-09% change) + iteration 42: trace = 1.072295939464572 (3.98949e-10% change) + large trace change predicted (1.11338e-09%) linmin: converged after 2 iterations. - iteration 48: trace = 1.07229593919474 (7.90033e-09% change) + iteration 43: trace = 1.072295939452633 (1.1134e-09% change) + large trace change predicted (2.51388e-09%) + linmin: converged after 4 iterations. + iteration 44: trace = 1.072295939425684 (2.51324e-09% change) linmin: converged after 2 iterations. - iteration 49: trace = 1.072295939101655 (8.68087e-09% change) - linmin: converged after 11 iterations. - iteration 50: trace = 1.072295939034337 (6.2779e-09% change) + iteration 45: trace = 1.072295939386053 (3.69592e-09% change) + linmin: converged after 3 iterations. + iteration 46: trace = 1.072295939340147 (4.28109e-09% change) + linmin: converged after 3 iterations. + iteration 47: trace = 1.072295939279214 (5.68252e-09% change) linmin: converged after 2 iterations. - iteration 51: trace = 1.072295939004894 (2.74586e-09% change) + iteration 48: trace = 1.072295939194631 (7.88797e-09% change) linmin: converged after 4 iterations. - iteration 52: trace = 1.072295938995441 (8.81514e-10% change) - linmin: converged after 4 iterations. - iteration 53: trace = 1.072295938992627 (2.62466e-10% change) + iteration 49: trace = 1.07229593910162 (8.67406e-09% change) + linmin: converged after 2 iterations. + iteration 50: trace = 1.072295939034323 (6.2759e-09% change) + linmin: converged after 2 iterations. + iteration 51: trace = 1.072295939004894 (2.74454e-09% change) linmin: converged after 2 iterations. - iteration 54: trace = 1.072295938991747 (8.20427e-11% change) + iteration 52: trace = 1.072295938995438 (8.81804e-10% change) + linmin: converged after 6 iterations. + iteration 53: trace = 1.072295938992633 (2.61659e-10% change) + linmin: converged after 3 iterations. + iteration 54: trace = 1.072295938991746 (8.26846e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 -elapsed time for k point: 0.40953826904296875 +elapsed time for k point: 5.782338857650757 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.073401218504587 (0.802321% change) + iteration 1: trace = 1.07340121849938 (0.802321% change) linmin: converged after 5 iterations. - iteration 2: trace = 1.070911358181615 (0.232229% change) - linmin: converged after 4 iterations. - iteration 3: trace = 1.069941901353496 (0.0905673% change) + iteration 2: trace = 1.070911358178133 (0.232229% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.06955351246923 (0.0363066% change) + iteration 3: trace = 1.069941901350898 (0.0905673% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.069331087283292 (0.0207982% change) + iteration 4: trace = 1.0695535124672 (0.0363066% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.069162619783253 (0.0157557% change) + iteration 5: trace = 1.06933108728176 (0.0207982% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.069053139982915 (0.0102403% change) + iteration 6: trace = 1.069162619782233 (0.0157557% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.069016273148097 (0.00344861% change) + iteration 7: trace = 1.069053139982171 (0.0102403% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.068993109652197 (0.00216683% change) + iteration 8: trace = 1.069016273147439 (0.00344861% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.068984047123368 (0.000847767% change) + iteration 9: trace = 1.068993109651599 (0.00216683% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.068978800309935 (0.000490824% change) + iteration 10: trace = 1.068984047122787 (0.000847767% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.068976671401058 (0.000199154% change) + iteration 11: trace = 1.068978800309365 (0.000490824% change) linmin: converged after 5 iterations. - iteration 13: trace = 1.068976061676143 (5.70382e-05% change) + iteration 12: trace = 1.068976671400489 (0.000199154% change) linmin: converged after 5 iterations. - iteration 14: trace = 1.068975835503847 (2.11578e-05% change) + iteration 13: trace = 1.068976061675592 (5.70382e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 1.068975835503293 (2.11578e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.068975752616919 (7.75386e-06% change) + iteration 15: trace = 1.068975752616362 (7.75386e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.068975691301347 (5.73592e-06% change) - linmin: converged after 15 iterations. - iteration 17: trace = 1.068975611585911 (7.45718e-06% change) + iteration 16: trace = 1.068975691300797 (5.73592e-06% change) + linmin: converged after 5 iterations. + iteration 17: trace = 1.068975611585373 (7.45718e-06% change) linmin: converged after 3 iterations. - iteration 18: trace = 1.068975504394834 (1.00275e-05% change) - linmin: converged after 28 iterations. - iteration 19: trace = 1.068975371946819 (1.23902e-05% change) + iteration 18: trace = 1.068975504394309 (1.00275e-05% change) + linmin: converged after 9 iterations. + iteration 19: trace = 1.068975371946318 (1.23902e-05% change) linmin: converged after 5 iterations. - iteration 20: trace = 1.068975238400782 (1.24929e-05% change) - linmin: converged after 6 iterations. - iteration 21: trace = 1.068975009008613 (2.14591e-05% change) + iteration 20: trace = 1.068975238400299 (1.24929e-05% change) + linmin: converged after 4 iterations. + iteration 21: trace = 1.068975009008141 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 5 iterations. - iteration 22: trace = 1.068974441379593 (5.31003e-05% change) + iteration 22: trace = 1.068974441379314 (5.31003e-05% change) large trace change predicted (0.000113315%) - linmin: converged after 4 iterations. - iteration 23: trace = 1.06897323035205 (0.000113289% change) - linmin: converged after 5 iterations. - iteration 24: trace = 1.068971612251336 (0.00015137% change) - linmin: converged after 5 iterations. - iteration 25: trace = 1.068970673721642 (8.77975e-05% change) - linmin: converged after 5 iterations. - iteration 26: trace = 1.068970296061792 (3.53293e-05% change) + linmin: converged after 3 iterations. + iteration 23: trace = 1.068973230352277 (0.000113289% change) linmin: converged after 5 iterations. - iteration 27: trace = 1.068970144206047 (1.42058e-05% change) + iteration 24: trace = 1.068971612251912 (0.00015137% change) linmin: converged after 5 iterations. - iteration 28: trace = 1.068970064617408 (7.44536e-06% change) + iteration 25: trace = 1.068970673722007 (8.77975e-05% change) linmin: converged after 5 iterations. - iteration 29: trace = 1.068970000607616 (5.98799e-06% change) - linmin: converged after 14 iterations. - iteration 30: trace = 1.068969962460862 (3.56855e-06% change) - linmin: converged after 2 iterations. - iteration 31: trace = 1.068969945599869 (1.57731e-06% change) - linmin: converged after 2 iterations. - iteration 32: trace = 1.068969938463743 (6.6757e-07% change) - linmin: converged after 2 iterations. - iteration 33: trace = 1.068969934705116 (3.51612e-07% change) + iteration 26: trace = 1.068970296061966 (3.53293e-05% change) + linmin: converged after 6 iterations. + iteration 27: trace = 1.068970144206145 (1.42058e-05% change) + linmin: converged after 4 iterations. + iteration 28: trace = 1.06897006461748 (7.44536e-06% change) + linmin: converged after 4 iterations. + iteration 29: trace = 1.068970000607662 (5.98799e-06% change) + linmin: converged after 10 iterations. + iteration 30: trace = 1.068969962460882 (3.56855e-06% change) linmin: converged after 2 iterations. - iteration 34: trace = 1.068969932325579 (2.22601e-07% change) + iteration 31: trace = 1.068969945599884 (1.57731e-06% change) linmin: converged after 2 iterations. - iteration 35: trace = 1.068969931392089 (8.73261e-08% change) + iteration 32: trace = 1.068969938463743 (6.67572e-07% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.068969931132226 (2.43097e-08% change) + iteration 33: trace = 1.068969934705124 (3.51611e-07% change) + linmin: converged after 4 iterations. + iteration 34: trace = 1.06896993232558 (2.22602e-07% change) linmin: converged after 2 iterations. - iteration 37: trace = 1.068969931062231 (6.54788e-09% change) - linmin: converged after 3 iterations. - iteration 38: trace = 1.068969931043937 (1.71137e-09% change) + iteration 35: trace = 1.068969931392088 (8.73263e-08% change) linmin: converged after 3 iterations. - iteration 39: trace = 1.068969931038528 (5.05981e-10% change) - linmin: converged after 4 iterations. - iteration 40: trace = 1.068969931036692 (1.71783e-10% change) + iteration 36: trace = 1.068969931132226 (2.43096e-08% change) + linmin: converged after 15 iterations. + iteration 37: trace = 1.068969931062233 (6.54774e-09% change) linmin: converged after 4 iterations. - iteration 41: trace = 1.068969931035934 (7.08943e-11% change) + iteration 38: trace = 1.068969931043938 (1.71147e-09% change) + linmin: converged after 2 iterations. + iteration 39: trace = 1.068969931038531 (5.05773e-10% change) + linmin: converged after 3 iterations. + iteration 40: trace = 1.068969931036688 (1.72365e-10% change) + linmin: converged after 2 iterations. + iteration 41: trace = 1.06896993103593 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 -elapsed time for k point: 0.3095874786376953 +elapsed time for k point: 6.813265085220337 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.07210087103826 (0.745891% change) + iteration 1: trace = 1.072100871029735 (0.745891% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.069747625152661 (0.21974% change) + iteration 2: trace = 1.069747625144617 (0.21974% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.068703623579 (0.0976409% change) + iteration 3: trace = 1.068703623571927 (0.0976409% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.067875371547756 (0.0775307% change) + iteration 4: trace = 1.067875371541936 (0.0775307% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.067259421661608 (0.0576966% change) + iteration 5: trace = 1.067259421656347 (0.0576966% change) linmin: converged after 5 iterations. - iteration 6: trace = 1.066744514105037 (0.0482574% change) + iteration 6: trace = 1.066744514099866 (0.0482574% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.066542840022479 (0.0189074% change) + iteration 7: trace = 1.066542840017269 (0.0189074% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.066494016827025 (0.00457781% change) + iteration 8: trace = 1.066494016821789 (0.00457781% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.066464593737446 (0.0027589% change) + iteration 9: trace = 1.066464593732184 (0.0027589% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.066451587644159 (0.00121956% change) + iteration 10: trace = 1.066451587638911 (0.00121956% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.06644367200251 (0.000742244% change) + iteration 11: trace = 1.066443671997326 (0.000742244% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.066440721222995 (0.000276694% change) - linmin: converged after 5 iterations. - iteration 13: trace = 1.066439849489925 (8.17423e-05% change) + iteration 12: trace = 1.066440721217859 (0.000276694% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.066439375228711 (4.44715e-05% change) - linmin: converged after 5 iterations. - iteration 15: trace = 1.06643900992587 (3.42544e-05% change) - linmin: converged after 13 iterations. - iteration 16: trace = 1.066438547202835 (4.33896e-05% change) - linmin: converged after 25 iterations. - iteration 17: trace = 1.066438083380031 (4.34927e-05% change) + iteration 13: trace = 1.066439849484829 (8.17423e-05% change) + linmin: converged after 4 iterations. + iteration 14: trace = 1.066439375223672 (4.44714e-05% change) linmin: converged after 4 iterations. - iteration 18: trace = 1.066437660403118 (3.96626e-05% change) + iteration 15: trace = 1.066439009920906 (3.42544e-05% change) + linmin: converged after 5 iterations. + iteration 16: trace = 1.066438547198133 (4.33895e-05% change) + linmin: converged after 24 iterations. + iteration 17: trace = 1.066438083375613 (4.34927e-05% change) + linmin: converged after 7 iterations. + iteration 18: trace = 1.066437660398672 (3.96626e-05% change) linmin: converged after 5 iterations. - iteration 19: trace = 1.066437091986816 (5.33005e-05% change) + iteration 19: trace = 1.066437091982246 (5.33005e-05% change) linmin: converged after 5 iterations. - iteration 20: trace = 1.066436003249257 (0.000102091% change) + iteration 20: trace = 1.066436003245269 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 3 iterations. - iteration 21: trace = 1.066433061003117 (0.000275896% change) - linmin: converged after 3 iterations. - iteration 22: trace = 1.06642793475905 (0.000480692% change) + iteration 21: trace = 1.066433061003442 (0.000275895% change) linmin: converged after 5 iterations. - iteration 23: trace = 1.066424326682477 (0.000338333% change) - linmin: converged after 14 iterations. - iteration 24: trace = 1.066422960610081 (0.000128098% change) - linmin: converged after 4 iterations. - iteration 25: trace = 1.066422499818148 (4.32091e-05% change) + iteration 22: trace = 1.066427934766565 (0.000480691% change) + linmin: converged after 30 iterations. + iteration 23: trace = 1.066424326691444 (0.000338333% change) + linmin: converged after 7 iterations. + iteration 24: trace = 1.066422960618152 (0.000128099% change) linmin: converged after 5 iterations. - iteration 26: trace = 1.066422186806159 (2.93516e-05% change) + iteration 25: trace = 1.066422499825244 (4.32092e-05% change) linmin: converged after 5 iterations. - iteration 27: trace = 1.06642189052569 (2.77827e-05% change) + iteration 26: trace = 1.066422186811657 (2.93517e-05% change) linmin: converged after 5 iterations. - iteration 28: trace = 1.066421685762265 (1.9201e-05% change) + iteration 27: trace = 1.066421890528896 (2.77829e-05% change) linmin: converged after 4 iterations. - iteration 29: trace = 1.066421590549438 (8.92825e-06% change) + iteration 28: trace = 1.066421685763468 (1.92012e-05% change) + linmin: converged after 5 iterations. + iteration 29: trace = 1.06642159054965 (8.92835e-06% change) linmin: converged after 2 iterations. - iteration 30: trace = 1.066421557709119 (3.07949e-06% change) + iteration 30: trace = 1.066421557709045 (3.07951e-06% change) linmin: converged after 2 iterations. - iteration 31: trace = 1.066421543618909 (1.32126e-06% change) + iteration 31: trace = 1.066421543618768 (1.32127e-06% change) linmin: converged after 2 iterations. - iteration 32: trace = 1.066421537041107 (6.16811e-07% change) + iteration 32: trace = 1.066421537040984 (6.16809e-07% change) linmin: converged after 2 iterations. - iteration 33: trace = 1.06642153395652 (2.89247e-07% change) + iteration 33: trace = 1.066421533956409 (2.89245e-07% change) linmin: converged after 2 iterations. - iteration 34: trace = 1.066421532546079 (1.32259e-07% change) + iteration 34: trace = 1.066421532545984 (1.32258e-07% change) linmin: converged after 2 iterations. - iteration 35: trace = 1.066421532098712 (4.19503e-08% change) + iteration 35: trace = 1.066421532098628 (4.19493e-08% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.066421531981078 (1.10308e-08% change) + iteration 36: trace = 1.066421531981 (1.10302e-08% change) linmin: converged after 2 iterations. - iteration 37: trace = 1.066421531947887 (3.11231e-09% change) + iteration 37: trace = 1.066421531947815 (3.11181e-09% change) linmin: converged after 4 iterations. - iteration 38: trace = 1.066421531934603 (1.24569e-09% change) - linmin: converged after 2 iterations. - iteration 39: trace = 1.06642153192376 (1.0168e-09% change) - linmin: converged after 2 iterations. - iteration 40: trace = 1.066421531913921 (9.22558e-10% change) - linmin: converged after 7 iterations. - iteration 41: trace = 1.066421531908639 (4.95384e-10% change) + iteration 38: trace = 1.066421531934532 (1.24558e-09% change) + linmin: converged after 3 iterations. + iteration 39: trace = 1.066421531923697 (1.01596e-09% change) + linmin: converged after 6 iterations. + iteration 40: trace = 1.066421531913855 (9.22953e-10% change) linmin: converged after 3 iterations. - iteration 42: trace = 1.06642153190678 (1.74317e-10% change) + iteration 41: trace = 1.066421531908571 (4.95468e-10% change) + linmin: converged after 6 iterations. + iteration 42: trace = 1.066421531906717 (1.7388e-10% change) linmin: converged after 5 iterations. - iteration 43: trace = 1.066421531906209 (5.34695e-11% change) + iteration 43: trace = 1.066421531906148 (5.32821e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 -elapsed time for k point: 0.32477593421936035 +elapsed time for k point: 8.335243463516235 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.069785773523572 (0.695776% change) - linmin: converged after 4 iterations. - iteration 2: trace = 1.067527570021082 (0.211312% change) + iteration 1: trace = 1.069785773604965 (0.695776% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.066558947035617 (0.0907764% change) + iteration 2: trace = 1.067527570080581 (0.211312% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.065685964033352 (0.0818839% change) + iteration 3: trace = 1.066558947074816 (0.0907764% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.065178396925658 (0.0476396% change) + iteration 4: trace = 1.065685964052161 (0.0818839% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.064838989612961 (0.031869% change) + iteration 5: trace = 1.065178396938137 (0.0476396% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.064736335041733 (0.00964085% change) + iteration 6: trace = 1.064838989622728 (0.031869% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.064718062396949 (0.00171618% change) + iteration 7: trace = 1.064736335051292 (0.00964085% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.064709443686219 (0.000809486% change) + iteration 8: trace = 1.064718062406794 (0.00171618% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.064705784325724 (0.000343696% change) + iteration 9: trace = 1.064709443696535 (0.000809486% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.064703064037169 (0.000255497% change) + iteration 10: trace = 1.06470578433643 (0.000343696% change) + linmin: converged after 5 iterations. + iteration 11: trace = 1.064703064048174 (0.000255497% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.064701652724537 (0.000132555% change) + iteration 12: trace = 1.064701652735597 (0.000132555% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.064701182180295 (4.41949e-05% change) + iteration 13: trace = 1.064701182191319 (4.4195e-05% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.064700943595669 (2.24086e-05% change) + iteration 14: trace = 1.064700943606627 (2.24086e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.064700802685182 (1.32347e-05% change) + iteration 15: trace = 1.064700802696047 (1.32348e-05% change) linmin: converged after 5 iterations. - iteration 16: trace = 1.064700694070544 (1.02014e-05% change) + iteration 16: trace = 1.064700694081259 (1.02014e-05% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.064700636598651 (5.39794e-06% change) + iteration 17: trace = 1.064700636609229 (5.39795e-06% change) linmin: converged after 4 iterations. - iteration 18: trace = 1.064700617107804 (1.83064e-06% change) + iteration 18: trace = 1.064700617118281 (1.83065e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.064700610383978 (6.31523e-07% change) + iteration 19: trace = 1.064700610394363 (6.31531e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.064700607855536 (2.37479e-07% change) + iteration 20: trace = 1.064700607865834 (2.37487e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 1.06470060562632 (2.09375e-07% change) - large trace change predicted (4.79888e-07%) + iteration 21: trace = 1.064700605636452 (2.0939e-07% change) + large trace change predicted (4.79935e-07%) linmin: converged after 2 iterations. - iteration 22: trace = 1.064700600516941 (4.79889e-07% change) - large trace change predicted (1.42404e-06%) - linmin: converged after 3 iterations. - iteration 23: trace = 1.064700585355235 (1.42403e-06% change) - large trace change predicted (2.97931e-06%) + iteration 22: trace = 1.064700600526578 (4.79935e-07% change) + large trace change predicted (1.42418e-06%) linmin: converged after 4 iterations. - iteration 24: trace = 1.064700553634983 (2.97927e-06% change) + iteration 23: trace = 1.064700585363382 (1.42417e-06% change) + large trace change predicted (2.97957e-06%) linmin: converged after 4 iterations. - iteration 25: trace = 1.064700526783395 (2.52198e-06% change) + iteration 24: trace = 1.064700553640431 (2.97952e-06% change) + linmin: converged after 18 iterations. + iteration 25: trace = 1.064700526786951 (2.52216e-06% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.064700508728923 (1.69573e-06% change) + iteration 26: trace = 1.064700508731266 (1.69585e-06% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.06470049007232 (1.75229e-06% change) - linmin: converged after 4 iterations. - iteration 28: trace = 1.06470046670805 (2.19445e-06% change) - linmin: converged after 6 iterations. - iteration 29: trace = 1.064700446692077 (1.87996e-06% change) - linmin: converged after 10 iterations. - iteration 30: trace = 1.064700438159558 (8.01401e-07% change) + iteration 27: trace = 1.064700490073484 (1.7524e-06% change) + linmin: converged after 7 iterations. + iteration 28: trace = 1.064700466708247 (2.19454e-06% change) + linmin: converged after 23 iterations. + iteration 29: trace = 1.06470044669203 (1.87999e-06% change) linmin: converged after 2 iterations. - iteration 31: trace = 1.064700434712811 (3.23729e-07% change) + iteration 30: trace = 1.064700438159573 (8.01395e-07% change) linmin: converged after 2 iterations. - iteration 32: trace = 1.064700432935373 (1.66943e-07% change) - linmin: converged after 3 iterations. - iteration 33: trace = 1.064700431874701 (9.96216e-08% change) - linmin: converged after 18 iterations. - iteration 34: trace = 1.064700431313299 (5.27287e-08% change) + iteration 31: trace = 1.064700434712854 (3.23727e-07% change) + linmin: converged after 2 iterations. + iteration 32: trace = 1.064700432935417 (1.66942e-07% change) + linmin: converged after 2 iterations. + iteration 33: trace = 1.064700431874727 (9.96233e-08% change) + linmin: converged after 2 iterations. + iteration 34: trace = 1.064700431313316 (5.27295e-08% change) linmin: converged after 3 iterations. - iteration 35: trace = 1.064700431122869 (1.78857e-08% change) + iteration 35: trace = 1.064700431122882 (1.78862e-08% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.064700431069187 (5.04198e-09% change) + iteration 36: trace = 1.064700431069202 (5.04181e-09% change) linmin: converged after 2 iterations. - iteration 37: trace = 1.064700431049588 (1.84086e-09% change) + iteration 37: trace = 1.064700431049594 (1.84165e-09% change) linmin: converged after 3 iterations. - iteration 38: trace = 1.064700431037439 (1.141e-09% change) - linmin: converged after 6 iterations. - iteration 39: trace = 1.06470043102659 (1.01902e-09% change) - linmin: converged after 6 iterations. - iteration 40: trace = 1.064700431020412 (5.8019e-10% change) + iteration 38: trace = 1.064700431037441 (1.14146e-09% change) linmin: converged after 5 iterations. - iteration 41: trace = 1.064700431018619 (1.68468e-10% change) + iteration 39: trace = 1.064700431026589 (1.01925e-09% change) linmin: converged after 2 iterations. - iteration 42: trace = 1.06470043101822 (3.74975e-11% change) + iteration 40: trace = 1.064700431020416 (5.79772e-10% change) + linmin: converged after 2 iterations. + iteration 41: trace = 1.064700431018628 (1.67884e-10% change) + linmin: converged after 3 iterations. + iteration 42: trace = 1.064700431018217 (3.86445e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 -elapsed time for k point: 0.3169381618499756 +elapsed time for k point: 5.80159592628479 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.071021350258464 (0.625217% change) + iteration 1: trace = 1.071021350256857 (0.625217% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.069008626710125 (0.188102% change) + iteration 2: trace = 1.06900862671002 (0.188102% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.068158244973315 (0.0795803% change) + iteration 3: trace = 1.068158244974187 (0.0795803% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.067197593267827 (0.0899758% change) + iteration 4: trace = 1.067197593269694 (0.0899758% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.066544127994454 (0.0612506% change) + iteration 5: trace = 1.066544127996658 (0.0612506% change) linmin: converged after 5 iterations. - iteration 6: trace = 1.065958659749782 (0.054909% change) + iteration 6: trace = 1.065958659752063 (0.054909% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.065750318742271 (0.0195469% change) + iteration 7: trace = 1.065750318744432 (0.0195469% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.06567551063021 (0.00701954% change) + iteration 8: trace = 1.06567551063221 (0.00701954% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.06561117031351 (0.0060377% change) + iteration 9: trace = 1.065611170315328 (0.0060377% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.065570512594905 (0.00381551% change) + iteration 10: trace = 1.065570512596607 (0.00381551% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.065544557364038 (0.00243584% change) + iteration 11: trace = 1.065544557365696 (0.00243584% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.065536856808036 (0.00072269% change) + iteration 12: trace = 1.065536856809688 (0.00072269% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.065534821686211 (0.000190995% change) + iteration 13: trace = 1.065534821687861 (0.000190995% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.065533865888116 (8.97013e-05% change) + iteration 14: trace = 1.065533865889772 (8.97013e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.065533310008211 (5.21692e-05% change) - linmin: converged after 19 iterations. - iteration 16: trace = 1.065532898641035 (3.86067e-05% change) + iteration 15: trace = 1.065533310009858 (5.21692e-05% change) + linmin: converged after 3 iterations. + iteration 16: trace = 1.065532898642685 (3.86067e-05% change) linmin: converged after 4 iterations. - iteration 17: trace = 1.065532683274763 (2.02121e-05% change) + iteration 17: trace = 1.065532683276369 (2.02121e-05% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.06553256279527 (1.1307e-05% change) + iteration 18: trace = 1.065532562796837 (1.1307e-05% change) linmin: converged after 4 iterations. - iteration 19: trace = 1.065532411949504 (1.41568e-05% change) + iteration 19: trace = 1.065532411951178 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. - iteration 20: trace = 1.065532110049109 (2.83333e-05% change) - linmin: converged after 5 iterations. - iteration 21: trace = 1.065531537830224 (5.37027e-05% change) + iteration 20: trace = 1.065532110051103 (2.83333e-05% change) linmin: converged after 5 iterations. - iteration 22: trace = 1.065530957301766 (5.44825e-05% change) + iteration 21: trace = 1.065531537832729 (5.37026e-05% change) linmin: converged after 6 iterations. - iteration 23: trace = 1.065530503251994 (4.26125e-05% change) + iteration 22: trace = 1.06553095730435 (5.44825e-05% change) + linmin: converged after 5 iterations. + iteration 23: trace = 1.065530503254396 (4.26126e-05% change) linmin: converged after 5 iterations. - iteration 24: trace = 1.065529848639519 (6.14354e-05% change) + iteration 24: trace = 1.06552984864104 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 4 iterations. - iteration 25: trace = 1.065528002345301 (0.000173275% change) - large trace change predicted (0.000909713%) + iteration 25: trace = 1.065528002343178 (0.000173275% change) + large trace change predicted (0.000909711%) linmin: converged after 4 iterations. - iteration 26: trace = 1.065518574708514 (0.000884789% change) - large trace change predicted (0.00393934%) + iteration 26: trace = 1.065518574731398 (0.000884787% change) + large trace change predicted (0.00393925%) linmin: converged after 7 iterations. - iteration 27: trace = 1.065486645435641 (0.00299664% change) - linmin: converged after 5 iterations. - iteration 28: trace = 1.065452553120126 (0.00319975% change) + iteration 27: trace = 1.065486645935353 (0.00299659% change) + linmin: converged after 9 iterations. + iteration 28: trace = 1.065452554316755 (0.00319968% change) linmin: converged after 6 iterations. - iteration 29: trace = 1.065430692674114 (0.00205177% change) + iteration 29: trace = 1.065430694066201 (0.00205175% change) linmin: converged after 4 iterations. - iteration 30: trace = 1.065419519797684 (0.00104868% change) + iteration 30: trace = 1.065419520878208 (0.00104871% change) linmin: converged after 4 iterations. - iteration 31: trace = 1.065412511388109 (0.00065781% change) - linmin: converged after 5 iterations. - iteration 32: trace = 1.065407624769086 (0.000458661% change) - linmin: converged after 9 iterations. - iteration 33: trace = 1.065405106225756 (0.000236393% change) + iteration 31: trace = 1.065412511944419 (0.000657859% change) linmin: converged after 5 iterations. - iteration 34: trace = 1.0654040172277 (0.000102215% change) - linmin: converged after 4 iterations. - iteration 35: trace = 1.065403611178203 (3.81123e-05% change) + iteration 32: trace = 1.06540762492902 (0.000458698% change) linmin: converged after 4 iterations. - iteration 36: trace = 1.065403441814578 (1.58967e-05% change) + iteration 33: trace = 1.065405106257257 (0.000236405% change) linmin: converged after 3 iterations. - iteration 37: trace = 1.065403323919896 (1.10657e-05% change) - linmin: converged after 4 iterations. - iteration 38: trace = 1.065403209105764 (1.07766e-05% change) + iteration 34: trace = 1.065404017240623 (0.000102216% change) linmin: converged after 3 iterations. - iteration 39: trace = 1.065403107356248 (9.55033e-06% change) + iteration 35: trace = 1.065403611191832 (3.81122e-05% change) linmin: converged after 3 iterations. - iteration 40: trace = 1.065403054378212 (4.97258e-06% change) + iteration 36: trace = 1.065403441828811 (1.58966e-05% change) + linmin: converged after 3 iterations. + iteration 37: trace = 1.065403323932342 (1.10659e-05% change) + linmin: converged after 5 iterations. + iteration 38: trace = 1.065403209115777 (1.07768e-05% change) + linmin: converged after 3 iterations. + iteration 39: trace = 1.065403107365718 (9.55038e-06% change) + linmin: converged after 3 iterations. + iteration 40: trace = 1.065403054387964 (4.97255e-06% change) + linmin: converged after 5 iterations. + iteration 41: trace = 1.06540303601522 (1.72449e-06% change) + linmin: converged after 3 iterations. + iteration 42: trace = 1.065403029075787 (6.51344e-07% change) + linmin: converged after 3 iterations. + iteration 43: trace = 1.065403024644487 (4.15927e-07% change) + linmin: converged after 6 iterations. + iteration 44: trace = 1.065403021192306 (3.24026e-07% change) linmin: converged after 2 iterations. - iteration 41: trace = 1.065403036005433 (1.72449e-06% change) + iteration 45: trace = 1.065403018976769 (2.07953e-07% change) linmin: converged after 2 iterations. - iteration 42: trace = 1.065403029066158 (6.51329e-07% change) - linmin: converged after 10 iterations. - iteration 43: trace = 1.065403024635121 (4.15902e-07% change) - linmin: converged after 6 iterations. - iteration 44: trace = 1.065403021183181 (3.24003e-07% change) + iteration 46: trace = 1.065403018006529 (9.10678e-08% change) linmin: converged after 2 iterations. - iteration 45: trace = 1.065403018967786 (2.0794e-07% change) + iteration 47: trace = 1.065403017544304 (4.3385e-08% change) + linmin: converged after 4 iterations. + iteration 48: trace = 1.06540301707721 (4.3842e-08% change) + large trace change predicted (8.98853e-08%) linmin: converged after 2 iterations. - iteration 46: trace = 1.06540301799757 (9.10656e-08% change) + iteration 49: trace = 1.06540301611957 (8.98853e-08% change) + large trace change predicted (2.34697e-07%) linmin: converged after 2 iterations. - iteration 47: trace = 1.065403017535375 (4.33822e-08% change) - linmin: converged after 3 iterations. - iteration 48: trace = 1.065403017068308 (4.38395e-08% change) - large trace change predicted (8.98767e-08%) - linmin: converged after 3 iterations. - iteration 49: trace = 1.065403016110758 (8.98767e-08% change) - large trace change predicted (2.34674e-07%) + iteration 50: trace = 1.065403013619096 (2.34697e-07% change) + large trace change predicted (5.60932e-07%) + linmin: converged after 12 iterations. + iteration 51: trace = 1.065403007642869 (5.60936e-07% change) + linmin: converged after 18 iterations. + iteration 52: trace = 1.065402998323143 (8.74761e-07% change) + linmin: converged after 4 iterations. + iteration 53: trace = 1.065402986266674 (1.13163e-06% change) + linmin: converged after 4 iterations. + iteration 54: trace = 1.065402969177869 (1.60398e-06% change) + linmin: converged after 5 iterations. + iteration 55: trace = 1.065402943673377 (2.39388e-06% change) + linmin: converged after 5 iterations. + iteration 56: trace = 1.065402909801003 (3.1793e-06% change) + linmin: converged after 5 iterations. + iteration 57: trace = 1.065402880544193 (2.74608e-06% change) linmin: converged after 3 iterations. - iteration 50: trace = 1.065403013610528 (2.34675e-07% change) - large trace change predicted (5.60902e-07%) - linmin: converged after 6 iterations. - iteration 51: trace = 1.065403007634617 (5.60906e-07% change) - linmin: converged after 6 iterations. - iteration 52: trace = 1.065402998314768 (8.74772e-07% change) - linmin: converged after 7 iterations. - iteration 53: trace = 1.065402986257841 (1.13168e-06% change) + iteration 58: trace = 1.065402867305791 (1.24257e-06% change) linmin: converged after 4 iterations. - iteration 54: trace = 1.065402969168857 (1.60399e-06% change) + iteration 59: trace = 1.065402862588597 (4.42762e-07% change) linmin: converged after 4 iterations. - iteration 55: trace = 1.065402943665572 (2.39377e-06% change) + iteration 60: trace = 1.065402860542621 (1.92038e-07% change) + linmin: converged after 4 iterations. + iteration 61: trace = 1.065402859235889 (1.22651e-07% change) linmin: converged after 3 iterations. - iteration 56: trace = 1.065402909795887 (3.17905e-06% change) - linmin: converged after 6 iterations. - iteration 57: trace = 1.065402880541239 (2.74588e-06% change) - linmin: converged after 6 iterations. - iteration 58: trace = 1.065402867303766 (1.24249e-06% change) + iteration 62: trace = 1.065402858140635 (1.02802e-07% change) + linmin: converged after 4 iterations. + iteration 63: trace = 1.065402857385874 (7.08428e-08% change) + linmin: converged after 4 iterations. + iteration 64: trace = 1.06540285703715 (3.27316e-08% change) linmin: converged after 2 iterations. - iteration 59: trace = 1.065402862586899 (4.42731e-07% change) - linmin: converged after 7 iterations. - iteration 60: trace = 1.065402860541348 (1.91998e-07% change) - linmin: converged after 3 iterations. - iteration 61: trace = 1.065402859235046 (1.22611e-07% change) - linmin: converged after 5 iterations. - iteration 62: trace = 1.065402858140186 (1.02765e-07% change) + iteration 65: trace = 1.065402856879938 (1.47562e-08% change) linmin: converged after 2 iterations. - iteration 63: trace = 1.065402857385623 (7.08243e-08% change) - linmin: converged after 16 iterations. - iteration 64: trace = 1.065402857036981 (3.27239e-08% change) - linmin: converged after 16 iterations. - iteration 65: trace = 1.065402856879801 (1.47532e-08% change) + iteration 66: trace = 1.065402856783457 (9.05579e-09% change) linmin: converged after 2 iterations. - iteration 66: trace = 1.06540285678336 (9.05199e-09% change) - linmin: converged after 4 iterations. - iteration 67: trace = 1.065402856698797 (7.93723e-09% change) + iteration 67: trace = 1.065402856698865 (7.9399e-09% change) linmin: converged after 2 iterations. - iteration 68: trace = 1.065402856628575 (6.59115e-09% change) + iteration 68: trace = 1.065402856628627 (6.59263e-09% change) linmin: converged after 6 iterations. - iteration 69: trace = 1.06540285659135 (3.49397e-09% change) + iteration 69: trace = 1.065402856591383 (3.49579e-09% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 70: trace = 1.065402856578422 (1.21338e-09% change) - linmin: converged after 4 iterations. - iteration 71: trace = 1.065402856572637 (5.43064e-10% change) - linmin: converged after 4 iterations. - iteration 72: trace = 1.065402856570892 (1.6373e-10% change) + iteration 70: trace = 1.06540285657846 (1.21295e-09% change) + linmin: converged after 2 iterations. + iteration 71: trace = 1.065402856572683 (5.42313e-10% change) linmin: converged after 4 iterations. - iteration 73: trace = 1.06540285657011 (7.3445e-11% change) + iteration 72: trace = 1.065402856570917 (1.65731e-10% change) + linmin: converged after 2 iterations. + iteration 73: trace = 1.065402856570141 (7.28406e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 -elapsed time for k point: 0.5468101501464844 +elapsed time for k point: 7.091893434524536 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.065652985933632 (0.504169% change) + iteration 1: trace = 1.06565298387963 (0.504169% change) linmin: converged after 5 iterations. - iteration 2: trace = 1.063445114035257 (0.2074% change) + iteration 2: trace = 1.063445111979978 (0.2074% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.062314063993459 (0.106414% change) + iteration 3: trace = 1.062314062055384 (0.106414% change) linmin: converged after 5 iterations. - iteration 4: trace = 1.060800077804152 (0.142619% change) + iteration 4: trace = 1.060800076256362 (0.142619% change) linmin: converged after 5 iterations. - iteration 5: trace = 1.059864884740296 (0.0881981% change) + iteration 5: trace = 1.059864883583945 (0.0881981% change) linmin: converged after 5 iterations. - iteration 6: trace = 1.058934077286103 (0.0878618% change) + iteration 6: trace = 1.058934076593912 (0.0878618% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.058590167245134 (0.0324823% change) + iteration 7: trace = 1.058590166729623 (0.0324823% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.058340293496419 (0.0236072% change) + iteration 8: trace = 1.058340293109642 (0.0236072% change) linmin: converged after 5 iterations. - iteration 9: trace = 1.058044369857015 (0.027965% change) + iteration 9: trace = 1.058044369605698 (0.027965% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.057844196440771 (0.018921% change) + iteration 10: trace = 1.057844196272982 (0.018921% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.057733299013849 (0.0104839% change) + iteration 11: trace = 1.057733298897283 (0.0104839% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.057686886075716 (0.00438806% change) + iteration 12: trace = 1.057686885986062 (0.00438806% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.05764371827619 (0.00408142% change) + iteration 13: trace = 1.05764371821719 (0.00408142% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.057601094505351 (0.00403015% change) + iteration 14: trace = 1.057601094475249 (0.00403015% change) linmin: converged after 4 iterations. - iteration 15: trace = 1.057574169313476 (0.00254591% change) + iteration 15: trace = 1.057574169298974 (0.0025459% change) linmin: converged after 4 iterations. - iteration 16: trace = 1.057560843559645 (0.00126004% change) + iteration 16: trace = 1.057560843552251 (0.00126004% change) linmin: converged after 4 iterations. - iteration 17: trace = 1.057554897778592 (0.000562218% change) + iteration 17: trace = 1.057554897774382 (0.000562218% change) linmin: converged after 4 iterations. - iteration 18: trace = 1.057550493139453 (0.000416494% change) - linmin: converged after 5 iterations. - iteration 19: trace = 1.057547622004361 (0.00027149% change) + iteration 18: trace = 1.057550493137504 (0.000416493% change) linmin: converged after 5 iterations. - iteration 20: trace = 1.05754621327995 (0.000133207% change) + iteration 19: trace = 1.057547622003613 (0.000271489% change) linmin: converged after 4 iterations. - iteration 21: trace = 1.057545647266108 (5.35214e-05% change) - linmin: converged after 5 iterations. - iteration 22: trace = 1.057545445060952 (1.91202e-05% change) - linmin: converged after 17 iterations. - iteration 23: trace = 1.057545346459636 (9.3236e-06% change) + iteration 20: trace = 1.057546213279662 (0.000133207% change) + linmin: converged after 4 iterations. + iteration 21: trace = 1.057545647265979 (5.35214e-05% change) + linmin: converged after 6 iterations. + iteration 22: trace = 1.057545445060888 (1.91202e-05% change) + linmin: converged after 6 iterations. + iteration 23: trace = 1.057545346459599 (9.3236e-06% change) + linmin: converged after 22 iterations. + iteration 24: trace = 1.057545294682111 (4.89601e-06% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.057545294682121 (4.89601e-06% change) + iteration 25: trace = 1.057545271741628 (2.16922e-06% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.057545271741636 (2.16922e-06% change) + iteration 26: trace = 1.05754526291091 (8.3502e-07% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.057545262910935 (8.35019e-07% change) + iteration 27: trace = 1.057545260634118 (2.1529e-07% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.057545260634137 (2.15291e-07% change) + iteration 28: trace = 1.057545259833977 (7.56602e-08% change) linmin: converged after 2 iterations. - iteration 28: trace = 1.057545259833991 (7.56607e-08% change) - linmin: converged after 3 iterations. - iteration 29: trace = 1.057545259398532 (4.11764e-08% change) + iteration 29: trace = 1.057545259398516 (4.11766e-08% change) + linmin: converged after 4 iterations. + iteration 30: trace = 1.057545259108179 (2.74538e-08% change) linmin: converged after 3 iterations. - iteration 30: trace = 1.057545259108186 (2.74547e-08% change) - linmin: converged after 10 iterations. - iteration 31: trace = 1.057545258933647 (1.65041e-08% change) - linmin: converged after 2 iterations. - iteration 32: trace = 1.057545258873734 (5.66527e-09% change) - linmin: converged after 6 iterations. - iteration 33: trace = 1.057545258854835 (1.78709e-09% change) - linmin: converged after 5 iterations. - iteration 34: trace = 1.057545258846099 (8.26118e-10% change) - linmin: converged after 5 iterations. - iteration 35: trace = 1.057545258839641 (6.10633e-10% change) + iteration 31: trace = 1.057545258933642 (1.6504e-08% change) + linmin: converged after 9 iterations. + iteration 32: trace = 1.057545258873732 (5.66495e-09% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.057545258833264 (6.02949e-10% change) + iteration 33: trace = 1.05754525885484 (1.78642e-09% change) + linmin: converged after 3 iterations. + iteration 34: trace = 1.057545258846103 (8.26139e-10% change) + linmin: converged after 3 iterations. + iteration 35: trace = 1.057545258839642 (6.1099e-10% change) linmin: converged after 3 iterations. - iteration 37: trace = 1.057545258828682 (4.3332e-10% change) + iteration 36: trace = 1.057545258833266 (6.02886e-10% change) linmin: converged after 4 iterations. - iteration 38: trace = 1.057545258826098 (2.44333e-10% change) + iteration 37: trace = 1.057545258828682 (4.33446e-10% change) linmin: converged after 3 iterations. - iteration 39: trace = 1.057545258824423 (1.58354e-10% change) - linmin: converged after 5 iterations. - iteration 40: trace = 1.057545258822975 (1.36937e-10% change) - linmin: converged after 5 iterations. - iteration 41: trace = 1.057545258821918 (9.9984e-11% change) -Finished solving for bands 1 to 5 after 41 iterations. + iteration 38: trace = 1.057545258826096 (2.44543e-10% change) + linmin: converged after 3 iterations. + iteration 39: trace = 1.057545258824421 (1.58396e-10% change) + linmin: converged after 8 iterations. + iteration 40: trace = 1.057545258822975 (1.36685e-10% change) + linmin: converged after 3 iterations. + iteration 41: trace = 1.057545258821915 (1.00278e-10% change) + linmin: converged after 3 iterations. + iteration 42: trace = 1.057545258821418 (4.69266e-11% change) +Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 -elapsed time for k point: 0.3097963333129883 +elapsed time for k point: 6.674334764480591 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.051264383683378 (0.453576% change) + iteration 1: trace = 1.051264386852736 (0.453577% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.049735266104058 (0.145561% change) + iteration 2: trace = 1.049735266940322 (0.145561% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.049264550828425 (0.0448514% change) + iteration 3: trace = 1.049264550979265 (0.0448515% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.048963507881569 (0.028695% change) + iteration 4: trace = 1.048963507822298 (0.028695% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.048842772275293 (0.0115107% change) + iteration 5: trace = 1.048842772219851 (0.0115107% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.04877245532582 (0.00670447% change) + iteration 6: trace = 1.048772455330029 (0.00670446% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.048748914208286 (0.00224466% change) + iteration 7: trace = 1.048748914239812 (0.00224466% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.048744582044645 (0.00041308% change) + iteration 8: trace = 1.048744582091036 (0.000413079% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.048741973643088 (0.000248717% change) + iteration 9: trace = 1.04874197370127 (0.000248716% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.048740250629304 (0.000164294% change) + iteration 10: trace = 1.048740250692948 (0.000164293% change) linmin: converged after 5 iterations. - iteration 11: trace = 1.048738772936668 (0.000140902% change) - linmin: converged after 6 iterations. - iteration 12: trace = 1.048738138350181 (6.05095e-05% change) + iteration 11: trace = 1.048738772995077 (0.000140902% change) + linmin: converged after 5 iterations. + iteration 12: trace = 1.04873813839741 (6.05106e-05% change) linmin: converged after 2 iterations. - iteration 13: trace = 1.048737951017005 (1.78627e-05% change) + iteration 13: trace = 1.048737951057088 (1.78634e-05% change) linmin: converged after 2 iterations. - iteration 14: trace = 1.048737879513113 (6.81809e-06% change) + iteration 14: trace = 1.048737879547413 (6.81864e-06% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.048737847274543 (3.07404e-06% change) + iteration 15: trace = 1.04873784730365 (3.07453e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.048737823439024 (2.27278e-06% change) + iteration 16: trace = 1.048737823461937 (2.27337e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.048737805840767 (1.67804e-06% change) + iteration 17: trace = 1.048737805857728 (1.67861e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.048737790464287 (1.46619e-06% change) - linmin: converged after 3 iterations. - iteration 19: trace = 1.048737774171443 (1.55357e-06% change) - linmin: converged after 3 iterations. - iteration 20: trace = 1.048737760565606 (1.29735e-06% change) + iteration 18: trace = 1.048737790475256 (1.46676e-06% change) + linmin: converged after 9 iterations. + iteration 19: trace = 1.048737774176587 (1.55412e-06% change) + linmin: converged after 4 iterations. + iteration 20: trace = 1.048737760567198 (1.29769e-06% change) linmin: converged after 6 iterations. - iteration 21: trace = 1.048737751887204 (8.27509e-07% change) + iteration 21: trace = 1.048737751887526 (8.2763e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 1.048737748310937 (3.41007e-07% change) - linmin: converged after 20 iterations. - iteration 23: trace = 1.048737746988563 (1.26092e-07% change) + iteration 22: trace = 1.048737748311013 (3.4103e-07% change) + linmin: converged after 4 iterations. + iteration 23: trace = 1.048737746988579 (1.26098e-07% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.048737746414585 (5.47304e-08% change) + iteration 24: trace = 1.048737746414591 (5.47313e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.048737746162664 (2.40214e-08% change) + iteration 25: trace = 1.048737746162667 (2.40217e-08% change) linmin: converged after 3 iterations. - iteration 26: trace = 1.048737746020625 (1.35438e-08% change) + iteration 26: trace = 1.048737746020625 (1.35441e-08% change) + linmin: converged after 4 iterations. + iteration 27: trace = 1.048737745965863 (5.2217e-09% change) linmin: converged after 4 iterations. - iteration 27: trace = 1.048737745965862 (5.22177e-09% change) + iteration 28: trace = 1.048737745951456 (1.37376e-09% change) + linmin: converged after 4 iterations. + iteration 29: trace = 1.048737745947919 (3.37258e-10% change) linmin: converged after 2 iterations. - iteration 28: trace = 1.048737745951455 (1.37378e-09% change) - linmin: converged after 3 iterations. - iteration 29: trace = 1.048737745947921 (3.37004e-10% change) - linmin: converged after 7 iterations. - iteration 30: trace = 1.048737745947218 (6.699e-11% change) + iteration 30: trace = 1.048737745947215 (6.70747e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 -elapsed time for k point: 0.22809815406799316 +elapsed time for k point: 5.2110278606414795 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.043730320367081 (0.402906% change) + iteration 1: trace = 1.043730320366995 (0.402906% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.042615065363824 (0.10691% change) + iteration 2: trace = 1.042615065363743 (0.10691% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.042310395155789 (0.029226% change) + iteration 3: trace = 1.042310395155701 (0.029226% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.042172278533035 (0.0132519% change) + iteration 4: trace = 1.042172278532945 (0.0132519% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.042115497545414 (0.00544848% change) + iteration 5: trace = 1.042115497545319 (0.00544848% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.042085473330498 (0.00288112% change) + iteration 6: trace = 1.042085473330403 (0.00288112% change) linmin: converged after 4 iterations. - iteration 7: trace = 1.042070524368647 (0.00143453% change) + iteration 7: trace = 1.042070524368565 (0.00143453% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.042066548612427 (0.000381525% change) + iteration 8: trace = 1.042066548612347 (0.000381525% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.042062887047469 (0.000351376% change) - linmin: converged after 5 iterations. - iteration 10: trace = 1.042059736967667 (0.000302293% change) + iteration 9: trace = 1.0420628870474 (0.000351376% change) + linmin: converged after 6 iterations. + iteration 10: trace = 1.042059736967608 (0.000302293% change) linmin: converged after 4 iterations. - iteration 11: trace = 1.042056939339079 (0.000268471% change) - linmin: converged after 5 iterations. - iteration 12: trace = 1.042055775662522 (0.000111671% change) + iteration 11: trace = 1.042056939339037 (0.000268471% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.042055457699181 (3.05131e-05% change) + iteration 12: trace = 1.042055775662489 (0.000111671% change) + linmin: converged after 4 iterations. + iteration 13: trace = 1.042055457699151 (3.05131e-05% change) linmin: converged after 2 iterations. - iteration 14: trace = 1.042055355980347 (9.76137e-06% change) + iteration 14: trace = 1.042055355980323 (9.76136e-06% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.042055322293896 (3.23269e-06% change) + iteration 15: trace = 1.04205532229387 (3.23269e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.042055302547851 (1.89491e-06% change) + iteration 16: trace = 1.042055302547835 (1.89491e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.042055285398364 (1.64574e-06% change) + iteration 17: trace = 1.042055285398348 (1.64574e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 1.042055265630034 (1.89705e-06% change) + iteration 18: trace = 1.042055265630022 (1.89705e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 1.042055241138578 (2.3503e-06% change) + iteration 19: trace = 1.042055241138575 (2.3503e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) + linmin: converged after 4 iterations. + iteration 21: trace = 1.042055207018135 (1.30175e-06% change) linmin: converged after 6 iterations. - iteration 21: trace = 1.042055207018134 (1.30175e-06% change) - linmin: converged after 22 iterations. - iteration 22: trace = 1.042055201090032 (5.68886e-07% change) - linmin: converged after 30 iterations. - iteration 23: trace = 1.042055199094496 (1.915e-07% change) + iteration 22: trace = 1.042055201090035 (5.68885e-07% change) + linmin: converged after 4 iterations. + iteration 23: trace = 1.042055199094494 (1.91501e-07% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.042055198377252 (6.88297e-08% change) + iteration 24: trace = 1.04205519837725 (6.88297e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.042055198125169 (2.4191e-08% change) - linmin: converged after 3 iterations. - iteration 26: trace = 1.042055197991546 (1.2823e-08% change) + iteration 25: trace = 1.042055198125168 (2.41908e-08% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.042055197924895 (6.39612e-09% change) + iteration 26: trace = 1.042055197991545 (1.2823e-08% change) linmin: converged after 2 iterations. - iteration 28: trace = 1.042055197900922 (2.30053e-09% change) + iteration 27: trace = 1.042055197924896 (6.39597e-09% change) linmin: converged after 2 iterations. - iteration 29: trace = 1.042055197891546 (8.99766e-10% change) - linmin: converged after 4 iterations. - iteration 30: trace = 1.042055197887333 (4.04304e-10% change) - linmin: converged after 5 iterations. - iteration 31: trace = 1.042055197884501 (2.71745e-10% change) - linmin: converged after 4 iterations. - iteration 32: trace = 1.042055197882747 (1.68378e-10% change) + iteration 28: trace = 1.042055197900918 (2.30098e-09% change) + linmin: converged after 2 iterations. + iteration 29: trace = 1.042055197891543 (8.99723e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 1.042055197887333 (4.03963e-10% change) linmin: converged after 3 iterations. - iteration 33: trace = 1.04205519788213 (5.92372e-11% change) + iteration 31: trace = 1.042055197884503 (2.71553e-10% change) + linmin: converged after 3 iterations. + iteration 32: trace = 1.042055197882747 (1.68528e-10% change) + linmin: converged after 5 iterations. + iteration 33: trace = 1.042055197882128 (5.94716e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 -elapsed time for k point: 0.2502100467681885 +elapsed time for k point: 4.176355838775635 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. - iteration 1: trace = 1.04058396714268 (0.367529% change) + iteration 1: trace = 1.040583967142558 (0.367529% change) linmin: converged after 4 iterations. - iteration 2: trace = 1.039722865444636 (0.082786% change) + iteration 2: trace = 1.039722865444511 (0.082786% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.039501656240234 (0.021278% change) + iteration 3: trace = 1.039501656240105 (0.021278% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.039430647296821 (0.00683129% change) + iteration 4: trace = 1.039430647296697 (0.00683129% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.039402550983722 (0.00270308% change) - linmin: converged after 6 iterations. - iteration 6: trace = 1.039389236782874 (0.00128096% change) - linmin: converged after 4 iterations. - iteration 7: trace = 1.039377840080391 (0.00109649% change) + iteration 5: trace = 1.039402550983601 (0.00270308% change) + linmin: converged after 5 iterations. + iteration 6: trace = 1.039389236782759 (0.00128096% change) linmin: converged after 4 iterations. - iteration 8: trace = 1.03937250860792 (0.00051295% change) + iteration 7: trace = 1.03937784008029 (0.00109649% change) linmin: converged after 4 iterations. - iteration 9: trace = 1.039365669584158 (0.000657998% change) + iteration 8: trace = 1.039372508607829 (0.00051295% change) linmin: converged after 4 iterations. - iteration 10: trace = 1.039358797682225 (0.000661165% change) + iteration 9: trace = 1.039365669584078 (0.000657998% change) + linmin: converged after 6 iterations. + iteration 10: trace = 1.039358797682165 (0.000661165% change) + linmin: converged after 6 iterations. + iteration 11: trace = 1.039351522033681 (0.000700016% change) linmin: converged after 5 iterations. - iteration 11: trace = 1.039351522033718 (0.000700016% change) - linmin: converged after 11 iterations. - iteration 12: trace = 1.039347743030296 (0.000363593% change) - linmin: converged after 4 iterations. - iteration 13: trace = 1.039346603568471 (0.000109632% change) + iteration 12: trace = 1.039347743030266 (0.000363593% change) + linmin: converged after 5 iterations. + iteration 13: trace = 1.039346603568448 (0.000109632% change) linmin: converged after 4 iterations. - iteration 14: trace = 1.039346252827014 (3.37463e-05% change) + iteration 14: trace = 1.039346252826993 (3.37463e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 1.03934615166332 (9.7334e-06% change) + iteration 15: trace = 1.039346151663298 (9.7334e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 1.039346101166363 (4.85853e-06% change) + iteration 16: trace = 1.039346101166342 (4.85853e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 1.039346056762976 (4.27224e-06% change) - linmin: converged after 4 iterations. - iteration 18: trace = 1.039346002477123 (5.22308e-06% change) - linmin: converged after 7 iterations. - iteration 19: trace = 1.039345931774672 (6.80259e-06% change) + iteration 17: trace = 1.039346056762957 (4.27224e-06% change) + linmin: converged after 22 iterations. + iteration 18: trace = 1.039346002477106 (5.22308e-06% change) + linmin: converged after 5 iterations. + iteration 19: trace = 1.039345931774669 (6.80259e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 1.039345863606865 (6.55872e-06% change) - linmin: converged after 9 iterations. - iteration 21: trace = 1.039345797360598 (6.37384e-06% change) + iteration 20: trace = 1.039345863606866 (6.55872e-06% change) linmin: converged after 3 iterations. - iteration 22: trace = 1.039345749422771 (4.61231e-06% change) - linmin: converged after 12 iterations. - iteration 23: trace = 1.03934572407996 (2.43834e-06% change) + iteration 21: trace = 1.039345797360606 (6.37384e-06% change) + linmin: converged after 26 iterations. + iteration 22: trace = 1.039345749422766 (4.61231e-06% change) + linmin: converged after 21 iterations. + iteration 23: trace = 1.039345724079955 (2.43834e-06% change) linmin: converged after 4 iterations. - iteration 24: trace = 1.039345709972816 (1.35731e-06% change) + iteration 24: trace = 1.039345709972817 (1.35731e-06% change) linmin: converged after 4 iterations. - iteration 25: trace = 1.039345701605023 (8.05102e-07% change) + iteration 25: trace = 1.039345701605026 (8.05102e-07% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.039345695151118 (6.20958e-07% change) + iteration 26: trace = 1.039345695151121 (6.20958e-07% change) linmin: converged after 2 iterations. - iteration 27: trace = 1.039345691963402 (3.06704e-07% change) + iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. - iteration 28: trace = 1.039345690769051 (1.14914e-07% change) + iteration 28: trace = 1.039345690769053 (1.14913e-07% change) linmin: converged after 2 iterations. - iteration 29: trace = 1.039345690283837 (4.66846e-08% change) + iteration 29: trace = 1.039345690283833 (4.66852e-08% change) linmin: converged after 2 iterations. - iteration 30: trace = 1.039345690103328 (1.73676e-08% change) + iteration 30: trace = 1.039345690103322 (1.73677e-08% change) linmin: converged after 2 iterations. - iteration 31: trace = 1.039345690033776 (6.69189e-09% change) - linmin: converged after 3 iterations. - iteration 32: trace = 1.039345690011566 (2.13694e-09% change) + iteration 31: trace = 1.039345690033778 (6.69117e-09% change) linmin: converged after 3 iterations. - iteration 33: trace = 1.039345690005518 (5.81888e-10% change) + iteration 32: trace = 1.03934569001156 (2.13769e-09% change) + linmin: converged after 2 iterations. + iteration 33: trace = 1.039345690005518 (5.81375e-10% change) linmin: converged after 3 iterations. - iteration 34: trace = 1.039345690002446 (2.95569e-10% change) + iteration 34: trace = 1.039345690002444 (2.95762e-10% change) linmin: converged after 4 iterations. - iteration 35: trace = 1.039345689999084 (3.23449e-10% change) - linmin: converged after 8 iterations. - iteration 36: trace = 1.039345689993936 (4.95322e-10% change) + iteration 35: trace = 1.039345689999081 (3.23535e-10% change) linmin: converged after 3 iterations. - iteration 37: trace = 1.039345689988247 (5.47428e-10% change) - linmin: converged after 7 iterations. - iteration 38: trace = 1.039345689985423 (2.71727e-10% change) + iteration 36: trace = 1.039345689993936 (4.95044e-10% change) linmin: converged after 2 iterations. - iteration 39: trace = 1.039345689984556 (8.33405e-11% change) + iteration 37: trace = 1.039345689988246 (5.47407e-10% change) + linmin: converged after 13 iterations. + iteration 38: trace = 1.03934568998542 (2.71941e-10% change) + linmin: converged after 5 iterations. + iteration 39: trace = 1.039345689984554 (8.33191e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 -elapsed time for k point: 0.29488158226013184 +elapsed time for k point: 4.215608596801758 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. - iteration 1: trace = 1.042607161722784 (0.34652% change) - linmin: converged after 4 iterations. - iteration 2: trace = 1.041876242541704 (0.0701295% change) + iteration 1: trace = 1.042607161720368 (0.34652% change) linmin: converged after 4 iterations. - iteration 3: trace = 1.041689793084914 (0.0178971% change) + iteration 2: trace = 1.041876242539336 (0.0701295% change) linmin: converged after 4 iterations. - iteration 4: trace = 1.041641147669495 (0.00466997% change) + iteration 3: trace = 1.041689793082598 (0.0178971% change) linmin: converged after 4 iterations. - iteration 5: trace = 1.041621655684328 (0.00187129% change) + iteration 4: trace = 1.04164114766723 (0.00466997% change) linmin: converged after 4 iterations. - iteration 6: trace = 1.041610029147031 (0.0011162% change) + iteration 5: trace = 1.041621655682081 (0.00187129% change) + linmin: converged after 5 iterations. + iteration 6: trace = 1.041610029144806 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. - iteration 7: trace = 1.041583957216157 (0.00250307% change) - linmin: converged after 5 iterations. - iteration 8: trace = 1.041547309523958 (0.00351852% change) + iteration 7: trace = 1.041583957213918 (0.00250307% change) + linmin: converged after 6 iterations. + iteration 8: trace = 1.041547309521649 (0.00351852% change) large trace change predicted (0.00868818%) - linmin: converged after 4 iterations. - iteration 9: trace = 1.041457030684974 (0.00866814% change) linmin: converged after 5 iterations. - iteration 10: trace = 1.041334060956518 (0.0118082% change) + iteration 9: trace = 1.041457030682496 (0.00866814% change) linmin: converged after 5 iterations. - iteration 11: trace = 1.04116469868315 (0.0162653% change) + iteration 10: trace = 1.041334060954174 (0.0118082% change) + linmin: converged after 5 iterations. + iteration 11: trace = 1.041164698681648 (0.0162653% change) linmin: converged after 4 iterations. - iteration 12: trace = 1.041009772943269 (0.0148811% change) + iteration 12: trace = 1.041009772942722 (0.0148811% change) linmin: converged after 4 iterations. - iteration 13: trace = 1.040930951208425 (0.00757195% change) - linmin: converged after 3 iterations. - iteration 14: trace = 1.040898073106839 (0.00315858% change) + iteration 13: trace = 1.040930951208303 (0.00757195% change) linmin: converged after 3 iterations. - iteration 15: trace = 1.040888096986957 (0.000958419% change) + iteration 14: trace = 1.040898073106853 (0.00315858% change) linmin: converged after 3 iterations. - iteration 16: trace = 1.040884173753135 (0.000376913% change) + iteration 15: trace = 1.040888096986996 (0.000958419% change) + linmin: converged after 5 iterations. + iteration 16: trace = 1.040884173753158 (0.000376913% change) linmin: converged after 3 iterations. - iteration 17: trace = 1.040881857294595 (0.000222547% change) + iteration 17: trace = 1.0408818572946 (0.000222547% change) + linmin: converged after 4 iterations. + iteration 18: trace = 1.040880129419144 (0.000166001% change) linmin: converged after 5 iterations. - iteration 18: trace = 1.040880129419154 (0.000166001% change) + iteration 19: trace = 1.04087884692961 (0.000123212% change) linmin: converged after 5 iterations. - iteration 19: trace = 1.040878846929637 (0.000123212% change) - linmin: converged after 6 iterations. - iteration 20: trace = 1.040878282104806 (5.42642e-05% change) - linmin: converged after 4 iterations. - iteration 21: trace = 1.040878051081444 (2.2195e-05% change) + iteration 20: trace = 1.04087828210478 (5.42642e-05% change) + linmin: converged after 5 iterations. + iteration 21: trace = 1.040878051081421 (2.2195e-05% change) linmin: converged after 2 iterations. - iteration 22: trace = 1.040877952535598 (9.46757e-06% change) + iteration 22: trace = 1.040877952535576 (9.46757e-06% change) linmin: converged after 2 iterations. - iteration 23: trace = 1.04087791382365 (3.71916e-06% change) + iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. - iteration 24: trace = 1.040877896748273 (1.64048e-06% change) + iteration 24: trace = 1.040877896748251 (1.64048e-06% change) linmin: converged after 2 iterations. - iteration 25: trace = 1.040877888402709 (8.01781e-07% change) + iteration 25: trace = 1.040877888402689 (8.01781e-07% change) linmin: converged after 2 iterations. - iteration 26: trace = 1.040877879210226 (8.83147e-07% change) - linmin: converged after 3 iterations. - iteration 27: trace = 1.040877861806184 (1.67205e-06% change) - linmin: converged after 3 iterations. - iteration 28: trace = 1.040877831116796 (2.94841e-06% change) - linmin: converged after 3 iterations. - iteration 29: trace = 1.040877780705331 (4.84317e-06% change) - linmin: converged after 3 iterations. - iteration 30: trace = 1.040877720799278 (5.75534e-06% change) + iteration 26: trace = 1.040877879210208 (8.83147e-07% change) linmin: converged after 2 iterations. - iteration 31: trace = 1.040877666373299 (5.22885e-06% change) + iteration 27: trace = 1.040877861806173 (1.67205e-06% change) + linmin: converged after 9 iterations. + iteration 28: trace = 1.040877831116786 (2.94841e-06% change) + linmin: converged after 3 iterations. + iteration 29: trace = 1.040877780705328 (4.84317e-06% change) + linmin: converged after 11 iterations. + iteration 30: trace = 1.040877720799277 (5.75534e-06% change) linmin: converged after 2 iterations. - iteration 32: trace = 1.04087763683477 (2.83785e-06% change) + iteration 31: trace = 1.040877666373098 (5.22887e-06% change) linmin: converged after 2 iterations. - iteration 33: trace = 1.040877628021508 (8.46714e-07% change) + iteration 32: trace = 1.040877636834634 (2.83784e-06% change) linmin: converged after 2 iterations. - iteration 34: trace = 1.040877624968478 (2.93313e-07% change) + iteration 33: trace = 1.040877628021429 (8.46709e-07% change) linmin: converged after 2 iterations. - iteration 35: trace = 1.040877623448808 (1.45999e-07% change) + iteration 34: trace = 1.040877624968428 (2.9331e-07% change) linmin: converged after 2 iterations. - iteration 36: trace = 1.040877622408122 (9.99815e-08% change) + iteration 35: trace = 1.040877623448756 (1.45999e-07% change) linmin: converged after 2 iterations. - iteration 37: trace = 1.040877621570131 (8.05081e-08% change) + iteration 36: trace = 1.040877622408063 (9.99823e-08% change) linmin: converged after 2 iterations. - iteration 38: trace = 1.040877621105963 (4.45939e-08% change) + iteration 37: trace = 1.040877621570066 (8.05087e-08% change) linmin: converged after 3 iterations. - iteration 39: trace = 1.040877620899657 (1.98204e-08% change) + iteration 38: trace = 1.040877621105911 (4.45927e-08% change) linmin: converged after 2 iterations. - iteration 40: trace = 1.040877620810268 (8.58782e-09% change) + iteration 39: trace = 1.040877620899616 (1.98193e-08% change) linmin: converged after 2 iterations. - iteration 41: trace = 1.040877620768389 (4.02347e-09% change) + iteration 40: trace = 1.040877620810224 (8.58814e-09% change) linmin: converged after 2 iterations. - iteration 42: trace = 1.04087762074268 (2.46996e-09% change) - linmin: converged after 4 iterations. - iteration 43: trace = 1.040877620722485 (1.94014e-09% change) - linmin: converged after 6 iterations. - iteration 44: trace = 1.040877620697879 (2.36395e-09% change) - linmin: converged after 4 iterations. - iteration 45: trace = 1.040877620655525 (4.0691e-09% change) - large trace change predicted (8.31704e-09%) - linmin: converged after 20 iterations. - iteration 46: trace = 1.040877620568959 (8.31662e-09% change) - linmin: converged after 4 iterations. - iteration 47: trace = 1.040877620412687 (1.50134e-08% change) + iteration 41: trace = 1.040877620768347 (4.02326e-09% change) + linmin: converged after 2 iterations. + iteration 42: trace = 1.04087762074264 (2.46972e-09% change) + linmin: converged after 2 iterations. + iteration 43: trace = 1.04087762072244 (1.94065e-09% change) + linmin: converged after 2 iterations. + iteration 44: trace = 1.040877620697845 (2.36293e-09% change) linmin: converged after 3 iterations. - iteration 48: trace = 1.040877620260931 (1.45796e-08% change) - linmin: converged after 13 iterations. - iteration 49: trace = 1.040877620187648 (7.04052e-09% change) + iteration 45: trace = 1.040877620655492 (4.06899e-09% change) + large trace change predicted (8.316e-09%) + linmin: converged after 23 iterations. + iteration 46: trace = 1.040877620568931 (8.31613e-09% change) + linmin: converged after 25 iterations. + iteration 47: trace = 1.040877620412678 (1.50117e-08% change) linmin: converged after 4 iterations. - iteration 50: trace = 1.040877620163347 (2.33464e-09% change) + iteration 48: trace = 1.040877620260928 (1.4579e-08% change) linmin: converged after 4 iterations. - iteration 51: trace = 1.040877620156024 (7.03587e-10% change) - linmin: converged after 6 iterations. - iteration 52: trace = 1.040877620153321 (2.59658e-10% change) + iteration 49: trace = 1.040877620187645 (7.04054e-09% change) + linmin: converged after 3 iterations. + iteration 50: trace = 1.040877620163349 (2.33417e-09% change) + linmin: converged after 3 iterations. + iteration 51: trace = 1.040877620156028 (7.03331e-10% change) + linmin: converged after 3 iterations. + iteration 52: trace = 1.040877620153325 (2.59658e-10% change) linmin: converged after 5 iterations. - iteration 53: trace = 1.040877620151858 (1.40581e-10% change) - linmin: converged after 2 iterations. - iteration 54: trace = 1.040877620150958 (8.64177e-11% change) + iteration 53: trace = 1.040877620151857 (1.41007e-10% change) + linmin: converged after 6 iterations. + iteration 54: trace = 1.040877620150956 (8.66524e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 -Felapsed time for k point: 0.40569424629211426 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905206 at Vector3<0.25, 0.75, 0.5> -Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080566 at Vector3<0.3, 0.75, 0.45> -Band 3 range: 0.44237076681729925 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254674 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.44355516512198107 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898853 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.595838685692698 at Vector3<0.0, 0.0, 0.0> -Gap from band 2 (0.3967658014080566) to band 3 (0.44237076681729925), 10.869497799551292% -total elapsed time for run: 10.861451148986816 +Felapsed time for k point: 8.502089262008667 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5> +Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45> +Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0> +Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695% +total elapsed time for run: 195.64629125595093 done -/tmp/meepFBAM2J/test_diamond-0: 10.87s +/tmp/meepYM7cP9/test_diamond-0: 195.73s -/tmp/meepFBAM2J/test_epsilon_input_file-0 +/tmp/meepYM7cP9/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14162,7 +14160,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0031147003173828125 +elapsed time for initialization: 0.05435633659362793 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -14291,7 +14289,7 @@ iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -elapsed time for k point: 0.16669321060180664 +elapsed time for k point: 3.3376564979553223 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14340,7 +14338,7 @@ iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 -elapsed time for k point: 0.07954716682434082 +elapsed time for k point: 1.7409069538116455 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14383,7 +14381,7 @@ iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 -elapsed time for k point: 0.06921029090881348 +elapsed time for k point: 1.3683011531829834 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14430,7 +14428,7 @@ iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 -elapsed time for k point: 0.07610177993774414 +elapsed time for k point: 1.3866288661956787 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14483,7 +14481,7 @@ iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 -elapsed time for k point: 0.08659720420837402 +elapsed time for k point: 1.6333436965942383 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14554,7 +14552,7 @@ iteration 33: trace = 5.378204986194201 (9.65267e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 -elapsed time for k point: 0.1182551383972168 +elapsed time for k point: 1.6916067600250244 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14609,7 +14607,7 @@ iteration 25: trace = 5.28099171481807 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 -elapsed time for k point: 0.09027981758117676 +elapsed time for k point: 1.1868400573730469 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14658,7 +14656,7 @@ iteration 22: trace = 5.121436678029987 (6.8537e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 -elapsed time for k point: 0.07945728302001953 +elapsed time for k point: 1.1956510543823242 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14697,7 +14695,7 @@ iteration 17: trace = 4.989265495381124 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 -elapsed time for k point: 0.07270956039428711 +elapsed time for k point: 1.1971125602722168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14734,7 +14732,7 @@ iteration 16: trace = 4.906005206120705 (8.86186e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 -elapsed time for k point: 0.05886530876159668 +elapsed time for k point: 0.9370296001434326 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14771,7 +14769,7 @@ iteration 16: trace = 4.877776571705258 (7.50562e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 -elapsed time for k point: 0.058342695236206055 +elapsed time for k point: 1.3134238719940186 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14808,7 +14806,7 @@ iteration 16: trace = 4.93354121021467 (4.66634e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 -elapsed time for k point: 0.05843710899353027 +elapsed time for k point: 1.4226207733154297 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14853,7 +14851,7 @@ iteration 20: trace = 5.086788979299675 (3.47464e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 -elapsed time for k point: 0.07252001762390137 +elapsed time for k point: 0.9369874000549316 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14908,7 +14906,7 @@ iteration 25: trace = 5.263256512288835 (3.41214e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 -elapsed time for k point: 0.09021449089050293 +elapsed time for k point: 1.0227899551391602 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14967,7 +14965,7 @@ iteration 27: trace = 5.362887848881173 (8.62195e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 -elapsed time for k point: 0.09809732437133789 +elapsed time for k point: 0.8620927333831787 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -15045,7 +15043,7 @@ iteration 36: trace = 5.414470666066688 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -F.elapsed time for k point: 0.09967207908630371 +F.elapsed time for k point: 1.1347205638885498 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> @@ -15057,15 +15055,15 @@ Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% -total elapsed time for run: 1.3792695999145508 +total elapsed time for run: 22.45462393760681 done -/tmp/meepFBAM2J/test_epsilon_input_file-0: 1.38s +/tmp/meepYM7cP9/test_epsilon_input_file-0: 22.46s -/tmp/meepFBAM2J/test_first_brillouin_zone-0 +/tmp/meepYM7cP9/test_first_brillouin_zone-0 ======================== -/tmp/meepFBAM2J/test_first_brillouin_zone-0: 0.12s +/tmp/meepYM7cP9/test_first_brillouin_zone-0: 1.14s -/tmp/meepFBAM2J/test_fractional_lattice-0 +/tmp/meepYM7cP9/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15108,7 +15106,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0002472400665283203 +elapsed time for initialization: 0.0008814334869384766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -15117,147 +15115,148 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 54.7945%) + switching to approximate line minimization (decrease time by 55.2326%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) + switching back to exact line minimization iteration 6: trace = 83.33333352466074 (7.15943e-06% change) - iteration 7: trace = 83.3333333365708 (2.25708e-07% change) - iteration 8: trace = 83.33333333338271 (3.82571e-09% change) - iteration 9: trace = 83.33333333333447 (5.7895e-11% change) + linmin: converged after 2 iterations. + iteration 7: trace = 83.3333333365707 (2.25708e-07% change) + linmin: converged after 2 iterations. + iteration 8: trace = 83.33333333338271 (3.82559e-09% change) + linmin: converged after 2 iterations. + iteration 9: trace = 83.33333333333449 (5.78609e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -elapsed time for k point: 0.0017971992492675781 +elapsed time for k point: 0.022541284561157227 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 10 iterations. - iteration 1: trace = 82.33333333334653 (0.722248% change) + linmin: converged after 6 iterations. + iteration 1: trace = 82.33333333334652 (0.722248% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.33333333333383 (1.54306e-11% change) + iteration 2: trace = 82.33333333333381 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 -elapsed time for k point: 0.0012204647064208984 +elapsed time for k point: 0.015416383743286133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 82.6666666666667 (6.01669e-13% change) + iteration 1: trace = 82.66666666666671 (5.84479e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.00021195411682128906 +elapsed time for k point: 0.0005052089691162109 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.0002033710479736328 +elapsed time for k point: 0.0004773139953613281 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 87.33333333333334 (0% change) + iteration 1: trace = 87.33333333333331 (4.88159e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00022459030151367188 +elapsed time for k point: 0.0004508495330810547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 47 iterations. - iteration 1: trace = 91.66666666666666 (0% change) + linmin: converged after 1 iterations. + iteration 1: trace = 91.66666666666669 (1.55028e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.0005266666412353516 +elapsed time for k point: 0.0004558563232421875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 62.3932%) - iteration 1: trace = 90.66666666672697 (3.571% change) - iteration 2: trace = 90.6666672264862 (6.17382e-07% change) - iteration 3: trace = 90.66666666666707 (6.17448e-07% change) - iteration 4: trace = 90.66666666666671 (3.91843e-13% change) + switching to approximate line minimization (decrease time by 73.7013%) + iteration 1: trace = 90.66666666668117 (3.571% change) + iteration 2: trace = 90.66666682539551 (1.75053e-07% change) + iteration 3: trace = 90.66666666666673 (1.75069e-07% change) + iteration 4: trace = 90.66666666666666 (7.83687e-14% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.00042819976806640625 +elapsed time for k point: 0.03346538543701172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 91 (9.36979e-14% change) + iteration 1: trace = 91.00000000000001 (1.56163e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.00020194053649902344 +elapsed time for k point: 0.0005502700805664062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 55.3398%) - iteration 1: trace = 92.66666666666669 (1.53355e-14% change) + switching to approximate line minimization (decrease time by 63.8393%) + iteration 1: trace = 92.66666666666671 (3.06709e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 -elapsed time for k point: 0.00023627281188964844 +elapsed time for k point: 0.0005805492401123047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... - linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 56.8627%) - iteration 1: trace = 95.66666666666669 (2.97091e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 95.66666666666667 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.00023436546325683594 +elapsed time for k point: 0.0004916191101074219 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... - linmin: converged after 45 iterations. - iteration 1: trace = 99.99999999999999 (2.84217e-14% change) + linmin: converged after 40 iterations. + iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 -elapsed time for k point: 0.0005071163177490234 +elapsed time for k point: 0.01876997947692871 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 91.33333333333334 (1.55593e-14% change) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 52.4272%) + iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.00020575523376464844 +elapsed time for k point: 0.0005655288696289062 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.6882%) - iteration 1: trace = 85.33333333333334 (0% change) + linmin: converged after 1 iterations. + iteration 1: trace = 85.33333333333336 (1.66533e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.0002295970916748047 +elapsed time for k point: 0.000453948974609375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 51.0417%) - iteration 1: trace = 82 (0% change) + linmin: converged after 4 iterations. + iteration 1: trace = 82.00000000000001 (1.73303e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.0002269744873046875 +elapsed time for k point: 0.0005345344543457031 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 54.3478%) - iteration 1: trace = 81.33333333333333 (1.74724e-14% change) + linmin: converged after 33 iterations. + iteration 1: trace = 81.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.00022935867309570312 +elapsed time for k point: 0.009684324264526367 solve_kpoint (0,0,0): Solving for bands 2 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 83.33333333333331 (0% change) + linmin: converged after 4 iterations. + iteration 1: trace = 83.33333333333336 (5.11591e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0001800060272216797 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.007491111755371094 +.elapsed time for k point: 0.0006079673767089844 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193134 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 1.443375672974065 at Vector3<0.5, 0.0, 0.0> to 2.88675134594814 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109015 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.886751345948132 at Vector3<0.0, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.227486121839518 at Vector3<0.5, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.696845502136474 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665333 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.10832595825195312 done -/tmp/meepFBAM2J/test_fractional_lattice-0: 0.01s +/tmp/meepYM7cP9/test_fractional_lattice-0: 0.12s -/tmp/meepFBAM2J/test_get_bfield-0 +/tmp/meepYM7cP9/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15300,7 +15299,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017638206481933594 +elapsed time for initialization: 0.017528057098388672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -15411,7 +15410,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1429154872894287 +elapsed time for k point: 2.0425100326538086 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15662,7 +15661,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.587630033493042 +elapsed time for k point: 6.939607381820679 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15719,7 +15718,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09328675270080566 +elapsed time for k point: 1.9058446884155273 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15772,7 +15771,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08642053604125977 +elapsed time for k point: 1.9305508136749268 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15833,7 +15832,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10030388832092285 +elapsed time for k point: 1.9384937286376953 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15926,7 +15925,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15601873397827148 +elapsed time for k point: 2.729388952255249 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15997,7 +15996,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1176760196685791 +elapsed time for k point: 1.9311351776123047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16058,7 +16057,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10050725936889648 +elapsed time for k point: 1.8293559551239014 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16111,7 +16110,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0863499641418457 +elapsed time for k point: 1.75468111038208 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16163,7 +16162,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08297157287597656 +elapsed time for k point: 0.7632179260253906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16215,7 +16214,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08250951766967773 +elapsed time for k point: 0.6652059555053711 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16256,7 +16255,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06578803062438965 +elapsed time for k point: 1.0130250453948975 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16303,7 +16302,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07579803466796875 +elapsed time for k point: 1.0273382663726807 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16366,7 +16365,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10381484031677246 +elapsed time for k point: 1.810429573059082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16439,7 +16438,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12133216857910156 +elapsed time for k point: 1.5043377876281738 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16634,7 +16633,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25202202796936035 +elapsed time for k point: 2.8213396072387695 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -16646,12 +16645,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.258134365081787 +total elapsed time for run: 32.641899824142456 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepFBAM2J/test_get_bfield-0: 2.26s +./tmp/meepYM7cP9/test_get_bfield-0: 32.72s -/tmp/meepFBAM2J/test_get_dfield-0 +/tmp/meepYM7cP9/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16694,7 +16693,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016415119171142578 +elapsed time for initialization: 0.028900861740112305 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -16805,7 +16804,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1418149471282959 +elapsed time for k point: 1.5683903694152832 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17056,7 +17055,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4266531467437744 +elapsed time for k point: 7.781702041625977 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17113,7 +17112,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0935068130493164 +elapsed time for k point: 2.0101003646850586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17166,7 +17165,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08687663078308105 +elapsed time for k point: 1.7626080513000488 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17227,7 +17226,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1003274917602539 +elapsed time for k point: 1.9487206935882568 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17320,7 +17319,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15612077713012695 +elapsed time for k point: 2.805699110031128 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17391,7 +17390,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11764717102050781 +elapsed time for k point: 1.9196767807006836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17452,7 +17451,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10039806365966797 +elapsed time for k point: 1.5265815258026123 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17505,7 +17504,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08618974685668945 +elapsed time for k point: 1.5344960689544678 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17557,7 +17556,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0830526351928711 +elapsed time for k point: 1.4025228023529053 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17609,7 +17608,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08276772499084473 +elapsed time for k point: 1.4136507511138916 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17650,7 +17649,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06567144393920898 +elapsed time for k point: 0.807586669921875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17697,7 +17696,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07594037055969238 +elapsed time for k point: 0.825589656829834 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17760,7 +17759,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10435891151428223 +elapsed time for k point: 1.466672658920288 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17833,7 +17832,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12193942070007324 +elapsed time for k point: 1.5876998901367188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18028,7 +18027,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25220441818237305 +elapsed time for k point: 3.7722790241241455 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -18040,12 +18039,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.0981523990631104 +total elapsed time for run: 34.20751953125 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 -./tmp/meepFBAM2J/test_get_dfield-0: 2.10s +./tmp/meepYM7cP9/test_get_dfield-0: 34.25s -/tmp/meepFBAM2J/test_get_efield-0 +/tmp/meepYM7cP9/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18088,7 +18087,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016217231750488281 +elapsed time for initialization: 0.020824193954467773 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -18199,7 +18198,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14215731620788574 +elapsed time for k point: 2.4353652000427246 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18450,7 +18449,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4267873764038086 +elapsed time for k point: 4.822042226791382 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18507,7 +18506,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09350466728210449 +elapsed time for k point: 1.5325207710266113 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18560,7 +18559,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0866391658782959 +elapsed time for k point: 1.0387341976165771 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18621,7 +18620,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10043215751647949 +elapsed time for k point: 1.4392273426055908 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18714,7 +18713,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15606188774108887 +elapsed time for k point: 2.144808530807495 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18785,7 +18784,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11764860153198242 +elapsed time for k point: 1.8928961753845215 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18846,7 +18845,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10051417350769043 +elapsed time for k point: 1.503748893737793 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18899,7 +18898,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08663010597229004 +elapsed time for k point: 1.4935901165008545 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18951,7 +18950,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08305120468139648 +elapsed time for k point: 2.0763909816741943 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19003,7 +19002,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08244895935058594 +elapsed time for k point: 0.7893269062042236 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19044,7 +19043,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06574225425720215 +elapsed time for k point: 1.459606647491455 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19091,7 +19090,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07638263702392578 +elapsed time for k point: 1.0939068794250488 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19154,7 +19153,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1583263874053955 +elapsed time for k point: 1.220313549041748 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19227,7 +19226,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1716938018798828 +elapsed time for k point: 1.4702794551849365 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19422,7 +19421,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3236124515533447 +elapsed time for k point: 3.8745272159576416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -19434,12 +19433,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.2745707035064697 +total elapsed time for run: 30.311590909957886 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepFBAM2J/test_get_efield-0: 2.28s +./tmp/meepYM7cP9/test_get_efield-0: 30.35s -/tmp/meepFBAM2J/test_get_eigenvectors-0 +/tmp/meepYM7cP9/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19482,7 +19481,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0024001598358154297 +elapsed time for initialization: 0.012727499008178711 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -19593,7 +19592,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.18428325653076172 +elapsed time for k point: 1.6076083183288574 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 @@ -19852,7 +19851,7 @@ iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.6616377830505371 +elapsed time for k point: 5.314785480499268 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 @@ -19917,7 +19916,7 @@ iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.1569063663482666 +elapsed time for k point: 1.1448941230773926 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 @@ -19978,7 +19977,7 @@ iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.11758780479431152 +elapsed time for k point: 1.1741926670074463 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 @@ -20047,7 +20046,7 @@ iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.16023564338684082 +elapsed time for k point: 1.1525752544403076 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 @@ -20148,7 +20147,7 @@ iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.21492314338684082 +elapsed time for k point: 1.9868111610412598 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 @@ -20227,7 +20226,7 @@ iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.9367995262145996 +elapsed time for k point: 0.8991637229919434 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 @@ -20296,7 +20295,7 @@ iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10136151313781738 +elapsed time for k point: 1.286759614944458 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 @@ -20357,7 +20356,7 @@ iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.12679457664489746 +elapsed time for k point: 1.5196475982666016 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 @@ -20417,7 +20416,7 @@ iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.1379985809326172 +elapsed time for k point: 0.9352724552154541 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 @@ -20477,7 +20476,7 @@ iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.12860631942749023 +elapsed time for k point: 0.935941219329834 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 @@ -20526,7 +20525,7 @@ iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.09948945045471191 +elapsed time for k point: 1.0986223220825195 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 @@ -20581,7 +20580,7 @@ iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.10466384887695312 +elapsed time for k point: 0.9537887573242188 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 @@ -20652,7 +20651,7 @@ iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1353468894958496 +elapsed time for k point: 1.0001890659332275 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 @@ -20733,7 +20732,7 @@ iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.18167781829833984 +elapsed time for k point: 0.9211916923522949 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 @@ -20936,7 +20935,7 @@ iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32427120208740234 +elapsed time for k point: 2.0768752098083496 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 @@ -20956,11 +20955,11 @@ Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% -total elapsed time for run: 3.7943921089172363 +total elapsed time for run: 24.164469242095947 done -/tmp/meepFBAM2J/test_get_eigenvectors-0: 3.82s +/tmp/meepYM7cP9/test_get_eigenvectors-0: 24.30s -/tmp/meepFBAM2J/test_get_hfield-0 +/tmp/meepYM7cP9/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -21003,7 +21002,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017254352569580078 +elapsed time for initialization: 0.005038022994995117 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -21114,7 +21113,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.18262195587158203 +elapsed time for k point: 0.5609569549560547 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21365,7 +21364,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.6155452728271484 +elapsed time for k point: 2.4866514205932617 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21422,7 +21421,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.11363482475280762 +elapsed time for k point: 0.8765923976898193 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21475,7 +21474,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.1386702060699463 +elapsed time for k point: 0.9725062847137451 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21536,7 +21535,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1554563045501709 +elapsed time for k point: 1.0482406616210938 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21629,7 +21628,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.2102346420288086 +elapsed time for k point: 1.6834969520568848 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21700,7 +21699,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.17032408714294434 +elapsed time for k point: 2.4145936965942383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21761,7 +21760,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.138991117477417 +elapsed time for k point: 2.1419553756713867 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21814,7 +21813,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.10940766334533691 +elapsed time for k point: 1.9265732765197754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21866,7 +21865,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.10004115104675293 +elapsed time for k point: 1.9598126411437988 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21918,7 +21917,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.10111737251281738 +elapsed time for k point: 1.814249038696289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21959,7 +21958,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.1040506362915039 +elapsed time for k point: 1.0492990016937256 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22006,7 +22005,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.10631871223449707 +elapsed time for k point: 0.7598831653594971 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22069,7 +22068,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.16072440147399902 +elapsed time for k point: 1.3471479415893555 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22142,7 +22141,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.16162538528442383 +elapsed time for k point: 3.2119061946868896 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22337,7 +22336,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.36371612548828125 +elapsed time for k point: 5.3867347240448 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -22349,12 +22348,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.9361631870269775 +total elapsed time for run: 29.64911413192749 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepFBAM2J/test_get_hfield-0: 2.94s +./tmp/meepYM7cP9/test_get_hfield-0: 29.72s -/tmp/meepFBAM2J/test_handle_cvector-0 +/tmp/meepYM7cP9/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22397,7 +22396,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0024793148040771484 +elapsed time for initialization: 0.06164860725402832 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -22452,7 +22451,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.11702942848205566 +elapsed time for k point: 1.4495561122894287 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22493,7 +22492,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.09029197692871094 +elapsed time for k point: 1.324094533920288 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22528,7 +22527,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.08357715606689453 +elapsed time for k point: 1.188709020614624 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22561,7 +22560,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.08623838424682617 +elapsed time for k point: 1.3404672145843506 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22592,7 +22591,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.0576930046081543 +elapsed time for k point: 0.9330387115478516 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22623,7 +22622,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.05593562126159668 +elapsed time for k point: 0.7608094215393066 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22652,7 +22651,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.051038503646850586 +elapsed time for k point: 0.6156439781188965 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22681,7 +22680,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.05946969985961914 +elapsed time for k point: 0.6883611679077148 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22706,7 +22705,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.04817533493041992 +elapsed time for k point: 0.7527198791503906 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22731,7 +22730,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.06426835060119629 +elapsed time for k point: 0.8924767971038818 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22754,7 +22753,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.05451035499572754 +elapsed time for k point: 0.6748359203338623 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 @@ -22789,7 +22788,7 @@ iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.05209159851074219 +elapsed time for k point: 0.8200697898864746 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22818,7 +22817,7 @@ iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.0769510269165039 +elapsed time for k point: 0.6947140693664551 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22849,7 +22848,7 @@ iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.08256864547729492 +elapsed time for k point: 0.919581413269043 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22888,7 +22887,7 @@ iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.09500837326049805 +elapsed time for k point: 1.5556161403656006 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22925,7 +22924,7 @@ iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.07941031455993652 +elapsed time for k point: 0.8570616245269775 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> @@ -22939,7 +22938,7 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 1.1625080108642578 +total elapsed time for run: 15.626765727996826 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22957,9 +22956,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepFBAM2J/test_handle_cvector-0: 1.20s +./tmp/meepYM7cP9/test_handle_cvector-0: 16.27s -/tmp/meepFBAM2J/test_hermitian_eps-0 +/tmp/meepYM7cP9/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -22997,7 +22996,7 @@ Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0034072399139404297 +elapsed time for initialization: 0.07009577751159668 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... @@ -27239,7 +27238,7 @@ iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -elapsed time for k point: 12.512332677841187 +elapsed time for k point: 223.71239137649536 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30536,7 +30535,7 @@ iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 -elapsed time for k point: 11.149043321609497 +elapsed time for k point: 188.64310598373413 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -33810,7 +33809,7 @@ iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 -elapsed time for k point: 11.323221445083618 +elapsed time for k point: 152.44713068008423 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36637,7 +36636,7 @@ iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 -elapsed time for k point: 12.661685705184937 +elapsed time for k point: 117.87190580368042 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38966,7 +38965,7 @@ iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 -elapsed time for k point: 11.459135293960571 +elapsed time for k point: 86.12350511550903 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -40542,7 +40541,7 @@ iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 -elapsed time for k point: 7.066835165023804 +elapsed time for k point: 68.19681811332703 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41690,7 +41689,7 @@ iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 -elapsed time for k point: 3.883124589920044 +elapsed time for k point: 44.17159605026245 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -43110,7 +43109,7 @@ iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 -elapsed time for k point: 4.782995223999023 +elapsed time for k point: 48.83384108543396 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -45057,7 +45056,7 @@ iteration 863: trace = 2.429159854303058 (6.45889e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 -elapsed time for k point: 6.6189680099487305 +elapsed time for k point: 72.6601951122284 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46436,7 +46435,7 @@ iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -.elapsed time for k point: 3.914459466934204 +.elapsed time for k point: 52.80414175987244 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> @@ -46452,11 +46451,11 @@ Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% -total elapsed time for run: 85.37639451026917 +total elapsed time for run: 1055.5373306274414 done -/tmp/meepFBAM2J/test_hermitian_eps-0: 85.38s +/tmp/meepYM7cP9/test_hermitian_eps-0: 1055.58s -/tmp/meepFBAM2J/test_hole_slab-0 +/tmp/meepYM7cP9/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46490,7 +46489,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.12424325942993164 +elapsed time for initialization: 0.9845685958862305 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... @@ -46559,17 +46558,17 @@ iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 -elapsed time for k point: 27.61581516265869 -total elapsed time for run: 27.740251541137695 +elapsed time for k point: 206.26446628570557 +total elapsed time for run: 207.24923086166382 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepFBAM2J/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepYM7cP9/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 -mean time per iteration = 0.8948468239076676 s -/tmp/meepFBAM2J/test_hole_slab-0: 27.78s +mean time per iteration = 6.685459060053671 s +/tmp/meepYM7cP9/test_hole_slab-0: 207.35s -/tmp/meepFBAM2J/test_honey_rods-0 +/tmp/meepYM7cP9/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46614,7 +46613,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0034444332122802734 +elapsed time for initialization: 0.02525043487548828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -46700,7 +46699,7 @@ iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.1817033290863037 +elapsed time for k point: 1.1219372749328613 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46774,7 +46773,7 @@ iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 -elapsed time for k point: 0.19469404220581055 +elapsed time for k point: 1.2723057270050049 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46813,7 +46812,7 @@ iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 -elapsed time for k point: 0.09661078453063965 +elapsed time for k point: 0.604252815246582 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46850,7 +46849,7 @@ iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 -elapsed time for k point: 0.09319543838500977 +elapsed time for k point: 0.511831521987915 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46885,7 +46884,7 @@ iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 -elapsed time for k point: 0.08619332313537598 +elapsed time for k point: 0.5221881866455078 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46916,7 +46915,7 @@ iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 -elapsed time for k point: 0.07489943504333496 +elapsed time for k point: 0.46465611457824707 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46945,7 +46944,7 @@ iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 -elapsed time for k point: 0.06940603256225586 +elapsed time for k point: 0.4601922035217285 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46978,7 +46977,7 @@ iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 -elapsed time for k point: 0.0808553695678711 +elapsed time for k point: 0.46570396423339844 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47011,7 +47010,7 @@ iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 -elapsed time for k point: 0.081024169921875 +elapsed time for k point: 0.1636335849761963 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47048,7 +47047,7 @@ iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 -elapsed time for k point: 0.09209465980529785 +elapsed time for k point: 0.16382575035095215 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47113,7 +47112,7 @@ iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 -elapsed time for k point: 0.1574242115020752 +elapsed time for k point: 0.5873672962188721 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47148,7 +47147,7 @@ iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 -elapsed time for k point: 0.08658194541931152 +elapsed time for k point: 1.0030310153961182 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47179,7 +47178,7 @@ iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 -elapsed time for k point: 0.07468485832214355 +elapsed time for k point: 0.7649202346801758 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47210,7 +47209,7 @@ iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 -elapsed time for k point: 0.07564258575439453 +elapsed time for k point: 0.9318132400512695 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47247,7 +47246,7 @@ iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 -elapsed time for k point: 0.10771322250366211 +elapsed time for k point: 0.642815351486206 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47448,7 +47447,7 @@ iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.40782785415649414 +elapsed time for k point: 2.5409326553344727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> @@ -47461,7 +47460,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% -total elapsed time for run: 1.9665985107421875 +total elapsed time for run: 12.250716924667358 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47505,7 +47504,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002873659133911133 +elapsed time for initialization: 0.012577295303344727 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -47707,7 +47706,7 @@ iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -elapsed time for k point: 0.40051770210266113 +elapsed time for k point: 4.700831651687622 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47812,7 +47811,7 @@ iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 -elapsed time for k point: 0.2799339294433594 +elapsed time for k point: 1.827751874923706 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -47869,7 +47868,7 @@ iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 -elapsed time for k point: 0.14686822891235352 +elapsed time for k point: 0.5021865367889404 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47926,7 +47925,7 @@ iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 -elapsed time for k point: 0.14773917198181152 +elapsed time for k point: 0.33349037170410156 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47993,7 +47992,7 @@ iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 -elapsed time for k point: 0.18009710311889648 +elapsed time for k point: 0.5279324054718018 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48076,7 +48075,7 @@ iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 -elapsed time for k point: 0.25153422355651855 +elapsed time for k point: 2.4678595066070557 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48141,7 +48140,7 @@ iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 -elapsed time for k point: 0.19646143913269043 +elapsed time for k point: 2.1791579723358154 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48212,7 +48211,7 @@ iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 -elapsed time for k point: 0.2124006748199463 +elapsed time for k point: 1.151611566543579 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48285,7 +48284,7 @@ iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 -elapsed time for k point: 0.22054290771484375 +elapsed time for k point: 1.528348684310913 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48360,7 +48359,7 @@ iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 -elapsed time for k point: 0.6180503368377686 +elapsed time for k point: 1.2345359325408936 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48517,7 +48516,7 @@ iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 -elapsed time for k point: 0.3999006748199463 +elapsed time for k point: 5.192939043045044 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48728,7 +48727,7 @@ iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 -elapsed time for k point: 0.5968389511108398 +elapsed time for k point: 5.625737905502319 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48783,7 +48782,7 @@ iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 -elapsed time for k point: 0.1631622314453125 +elapsed time for k point: 1.2600927352905273 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48836,7 +48835,7 @@ iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 -elapsed time for k point: 0.15746712684631348 +elapsed time for k point: 1.2359702587127686 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48893,7 +48892,7 @@ iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 -elapsed time for k point: 0.16996049880981445 +elapsed time for k point: 0.6852867603302002 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49042,7 +49041,7 @@ iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.5965502262115479 +.elapsed time for k point: 2.0801494121551514 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> @@ -49054,11 +49053,11 @@ Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% -total elapsed time for run: 4.742814064025879 +total elapsed time for run: 32.56632208824158 done -/tmp/meepFBAM2J/test_honey_rods-0: 6.71s +/tmp/meepYM7cP9/test_honey_rods-0: 44.83s -/tmp/meepFBAM2J/test_line_defect-0 +/tmp/meepYM7cP9/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49105,7 +49104,7 @@ Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> -elapsed time for initialization: 0.022919416427612305 +elapsed time for initialization: 0.07856535911560059 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... @@ -49302,7 +49301,7 @@ Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 -elapsed time for k point: 2.506809949874878 +elapsed time for k point: 25.684725761413574 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 @@ -49315,18 +49314,18 @@ Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. @@ -49424,7 +49423,7 @@ Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 -elapsed time for k point: 1.3730783462524414 +elapsed time for k point: 13.463261127471924 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 @@ -49437,18 +49436,18 @@ Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49538,7 +49537,7 @@ Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 -elapsed time for k point: 3.053178310394287 +elapsed time for k point: 7.146764755249023 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 @@ -49551,18 +49550,18 @@ Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49784,7 +49783,7 @@ Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 -elapsed time for k point: 4.135879278182983 +elapsed time for k point: 13.520308494567871 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 @@ -49797,18 +49796,18 @@ Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49970,7 +49969,7 @@ Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 -elapsed time for k point: 2.402693510055542 +elapsed time for k point: 16.66835308074951 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 @@ -49983,18 +49982,18 @@ Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -50050,7 +50049,7 @@ Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 -elapsed time for k point: 0.6238670349121094 +elapsed time for k point: 3.939737319946289 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 @@ -50063,18 +50062,18 @@ Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50089,15 +50088,15 @@ Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% -total elapsed time for run: 14.325102806091309 +total elapsed time for run: 81.51580381393433 done -/tmp/meepFBAM2J/test_line_defect-0: 14.35s +/tmp/meepYM7cP9/test_line_defect-0: 81.55s -/tmp/meepFBAM2J/test_list_split-0 +/tmp/meepYM7cP9/test_list_split-0 ======================== -/tmp/meepFBAM2J/test_list_split-0: 0.00s +/tmp/meepYM7cP9/test_list_split-0: 0.00s -/tmp/meepFBAM2J/test_load_and_save_eigenvectors-0 +/tmp/meepYM7cP9/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50140,7 +50139,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017392635345458984 +elapsed time for initialization: 0.0036067962646484375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -50251,7 +50250,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1431887149810791 +elapsed time for k point: 0.3132319450378418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50502,7 +50501,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4274742603302002 +elapsed time for k point: 1.709820032119751 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50559,7 +50558,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09351849555969238 +elapsed time for k point: 0.5476655960083008 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50612,7 +50611,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08693289756774902 +elapsed time for k point: 0.4531693458557129 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50673,7 +50672,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10065364837646484 +elapsed time for k point: 0.5881786346435547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50766,7 +50765,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15633082389831543 +elapsed time for k point: 0.4471316337585449 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50837,7 +50836,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11779046058654785 +elapsed time for k point: 0.5565545558929443 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50898,7 +50897,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10087394714355469 +elapsed time for k point: 0.452559232711792 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50951,7 +50950,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08649444580078125 +elapsed time for k point: 0.25873851776123047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51003,7 +51002,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08308053016662598 +elapsed time for k point: 0.26467180252075195 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51055,7 +51054,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08287858963012695 +elapsed time for k point: 0.2571866512298584 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51096,7 +51095,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06595253944396973 +elapsed time for k point: 0.26087450981140137 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51143,7 +51142,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07596063613891602 +elapsed time for k point: 0.2605445384979248 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51206,7 +51205,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10474896430969238 +elapsed time for k point: 0.587780237197876 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51279,7 +51278,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12509679794311523 +elapsed time for k point: 1.1300523281097412 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51474,7 +51473,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2534360885620117 +elapsed time for k point: 2.1834022998809814 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -51486,7 +51485,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1076347827911377 +total elapsed time for run: 10.2861328125 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51528,7 +51527,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001661062240600586 +elapsed time for initialization: 0.0040171146392822266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -51639,7 +51638,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14235424995422363 +elapsed time for k point: 0.3811626434326172 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51890,7 +51889,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.5603303909301758 +elapsed time for k point: 2.3714559078216553 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51947,7 +51946,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09357333183288574 +elapsed time for k point: 0.5527517795562744 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52000,7 +51999,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08678412437438965 +elapsed time for k point: 0.5256180763244629 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52061,7 +52060,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10442590713500977 +elapsed time for k point: 0.6432089805603027 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52154,7 +52153,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15807199478149414 +elapsed time for k point: 1.1856358051300049 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52225,7 +52224,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11847925186157227 +elapsed time for k point: 0.8976955413818359 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52286,7 +52285,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10109901428222656 +elapsed time for k point: 0.5878384113311768 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52339,7 +52338,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08765578269958496 +elapsed time for k point: 0.2434237003326416 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52391,7 +52390,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08394098281860352 +elapsed time for k point: 0.20825910568237305 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52443,7 +52442,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08264899253845215 +elapsed time for k point: 0.5133035182952881 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52484,7 +52483,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06575560569763184 +elapsed time for k point: 0.278120756149292 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52531,7 +52530,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07682013511657715 +elapsed time for k point: 0.2951321601867676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52594,7 +52593,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10463523864746094 +elapsed time for k point: 0.2977938652038574 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52667,7 +52666,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12155342102050781 +elapsed time for k point: 0.6010258197784424 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52862,7 +52861,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.25234460830688477 +.elapsed time for k point: 1.0137693881988525 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -52874,11 +52873,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.24359393119812 +total elapsed time for run: 10.60319185256958 done -/tmp/meepFBAM2J/test_load_and_save_eigenvectors-0: 4.36s +/tmp/meepYM7cP9/test_load_and_save_eigenvectors-0: 20.90s -/tmp/meepFBAM2J/test_maximize_first_tm_gap-0 +/tmp/meepYM7cP9/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52921,7 +52920,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011801719665527344 +elapsed time for initialization: 0.0025022029876708984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -52960,7 +52959,7 @@ iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.0044171810150146484 +elapsed time for k point: 0.012142181396484375 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53027,7 +53026,7 @@ iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 -elapsed time for k point: 0.01500558853149414 +elapsed time for k point: 0.048548221588134766 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53050,7 +53049,7 @@ iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 -elapsed time for k point: 0.004712581634521484 +elapsed time for k point: 0.01384735107421875 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53073,7 +53072,7 @@ iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 -elapsed time for k point: 0.0046842098236083984 +elapsed time for k point: 0.013340950012207031 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53094,7 +53093,7 @@ iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 -elapsed time for k point: 0.004216670989990234 +elapsed time for k point: 0.011629104614257812 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53115,7 +53114,7 @@ iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 -elapsed time for k point: 0.00422215461730957 +elapsed time for k point: 0.011714696884155273 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53136,7 +53135,7 @@ iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 -elapsed time for k point: 0.004204988479614258 +elapsed time for k point: 0.011918067932128906 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53157,7 +53156,7 @@ iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 -elapsed time for k point: 0.004259824752807617 +elapsed time for k point: 0.014951467514038086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53178,7 +53177,7 @@ iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 -elapsed time for k point: 0.00420689582824707 +elapsed time for k point: 0.03287863731384277 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53201,7 +53200,7 @@ iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 -elapsed time for k point: 0.0046923160552978516 +elapsed time for k point: 0.05050039291381836 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53224,7 +53223,7 @@ iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 -elapsed time for k point: 0.0046863555908203125 +elapsed time for k point: 0.050460100173950195 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53266,7 +53265,7 @@ iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 -elapsed time for k point: 0.008544445037841797 +elapsed time for k point: 0.0708458423614502 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53289,7 +53288,7 @@ iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 -elapsed time for k point: 0.0046844482421875 +elapsed time for k point: 0.03741931915283203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53312,7 +53311,7 @@ iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 -elapsed time for k point: 0.004707813262939453 +elapsed time for k point: 0.025887012481689453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53337,7 +53336,7 @@ iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 -elapsed time for k point: 0.005228281021118164 +elapsed time for k point: 0.027520418167114258 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53366,11 +53365,11 @@ iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.003257274627685547 +elapsed time for k point: 0.03737282752990723 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% -total elapsed time for run: 0.08724331855773926 +total elapsed time for run: 0.4841771125793457 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53412,7 +53411,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016117095947265625 +elapsed time for initialization: 0.016106605529785156 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53453,7 +53452,7 @@ iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 -elapsed time for k point: 0.004621028900146484 +elapsed time for k point: 0.04166126251220703 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53513,7 +53512,7 @@ iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 -elapsed time for k point: 0.013500213623046875 +elapsed time for k point: 0.15378808975219727 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53536,7 +53535,7 @@ iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 -elapsed time for k point: 0.004720926284790039 +elapsed time for k point: 0.0420382022857666 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53559,7 +53558,7 @@ iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 -elapsed time for k point: 0.00469660758972168 +elapsed time for k point: 0.0620112419128418 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53580,7 +53579,7 @@ iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 -elapsed time for k point: 0.0042188167572021484 +elapsed time for k point: 0.04950690269470215 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53601,7 +53600,7 @@ iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 -elapsed time for k point: 0.004221439361572266 +elapsed time for k point: 0.026505470275878906 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53622,7 +53621,7 @@ iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 -elapsed time for k point: 0.004224061965942383 +elapsed time for k point: 0.016771793365478516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53643,7 +53642,7 @@ iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 -elapsed time for k point: 0.004224061965942383 +elapsed time for k point: 0.03374981880187988 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53664,7 +53663,7 @@ iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 -elapsed time for k point: 0.004210233688354492 +elapsed time for k point: 0.024077892303466797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53687,7 +53686,7 @@ iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 -elapsed time for k point: 0.004675626754760742 +elapsed time for k point: 0.03244137763977051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53710,7 +53709,7 @@ iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 -elapsed time for k point: 0.00469970703125 +elapsed time for k point: 0.0296022891998291 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53760,7 +53759,7 @@ iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.010456085205078125 +elapsed time for k point: 0.05259394645690918 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53783,7 +53782,7 @@ iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 -elapsed time for k point: 0.004680633544921875 +elapsed time for k point: 0.013848066329956055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53806,7 +53805,7 @@ iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 -elapsed time for k point: 0.004705190658569336 +elapsed time for k point: 0.029611587524414062 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53829,7 +53828,7 @@ iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.004687786102294922 +elapsed time for k point: 0.030019283294677734 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53860,11 +53859,11 @@ iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 -elapsed time for k point: 0.003498554229736328 +elapsed time for k point: 0.022274494171142578 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% -total elapsed time for run: 0.08797478675842285 +total elapsed time for run: 0.6788549423217773 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53906,7 +53905,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011525154113769531 +elapsed time for initialization: 0.002791166305541992 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53953,7 +53952,7 @@ iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.0053730010986328125 +elapsed time for k point: 0.03486180305480957 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53990,7 +53989,7 @@ iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 -elapsed time for k point: 0.008203744888305664 +elapsed time for k point: 0.053064584732055664 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54015,7 +54014,7 @@ iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 -elapsed time for k point: 0.0052187442779541016 +elapsed time for k point: 0.014113187789916992 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54038,7 +54037,7 @@ iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 -elapsed time for k point: 0.004719257354736328 +elapsed time for k point: 0.02695941925048828 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54059,7 +54058,7 @@ iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 -elapsed time for k point: 0.00422358512878418 +elapsed time for k point: 0.2712864875793457 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54080,7 +54079,7 @@ iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 -elapsed time for k point: 0.004201650619506836 +elapsed time for k point: 0.03664422035217285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54101,7 +54100,7 @@ iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 -elapsed time for k point: 0.00421142578125 +elapsed time for k point: 0.024561643600463867 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54122,7 +54121,7 @@ iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 -elapsed time for k point: 0.004207134246826172 +elapsed time for k point: 0.026540279388427734 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54143,7 +54142,7 @@ iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 -elapsed time for k point: 0.004223823547363281 +elapsed time for k point: 0.026142120361328125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54166,7 +54165,7 @@ iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 -elapsed time for k point: 0.004692792892456055 +elapsed time for k point: 0.03142857551574707 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54189,7 +54188,7 @@ iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 -elapsed time for k point: 0.004669904708862305 +elapsed time for k point: 0.022092342376708984 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54228,7 +54227,7 @@ iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 -elapsed time for k point: 0.008712530136108398 +elapsed time for k point: 0.07659029960632324 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54251,7 +54250,7 @@ iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 -elapsed time for k point: 0.0047414302825927734 +elapsed time for k point: 0.04016900062561035 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54276,7 +54275,7 @@ iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 -elapsed time for k point: 0.005197048187255859 +elapsed time for k point: 0.03732562065124512 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54303,7 +54302,7 @@ iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 -elapsed time for k point: 0.00570225715637207 +elapsed time for k point: 0.18997645378112793 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. @@ -54340,11 +54339,11 @@ iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.004728555679321289 +elapsed time for k point: 0.040802001953125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% -total elapsed time for run: 0.0845649242401123 +total elapsed time for run: 0.9575550556182861 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54386,7 +54385,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013015270233154297 +elapsed time for initialization: 0.014998435974121094 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -54421,7 +54420,7 @@ iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 -elapsed time for k point: 0.003894805908203125 +elapsed time for k point: 0.03894972801208496 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54446,7 +54445,7 @@ iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 -elapsed time for k point: 0.00522160530090332 +elapsed time for k point: 0.02704024314880371 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54471,7 +54470,7 @@ iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 -elapsed time for k point: 0.0053217411041259766 +elapsed time for k point: 0.03584599494934082 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -54496,7 +54495,7 @@ iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 -elapsed time for k point: 0.005176544189453125 +elapsed time for k point: 0.03611326217651367 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54519,7 +54518,7 @@ iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 -elapsed time for k point: 0.004767656326293945 +elapsed time for k point: 0.03697490692138672 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54540,7 +54539,7 @@ iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 -elapsed time for k point: 0.0042171478271484375 +elapsed time for k point: 0.029218196868896484 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54561,7 +54560,7 @@ iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 -elapsed time for k point: 0.004306316375732422 +elapsed time for k point: 0.023731470108032227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54582,7 +54581,7 @@ iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 -elapsed time for k point: 0.004260063171386719 +elapsed time for k point: 0.02691030502319336 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54603,7 +54602,7 @@ iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 -elapsed time for k point: 0.004209756851196289 +elapsed time for k point: 0.02826523780822754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54628,7 +54627,7 @@ iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 -elapsed time for k point: 0.005219221115112305 +elapsed time for k point: 0.04725456237792969 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54653,7 +54652,7 @@ iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 -elapsed time for k point: 0.005234718322753906 +elapsed time for k point: 0.03578782081604004 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54692,7 +54691,7 @@ iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 -elapsed time for k point: 0.008538484573364258 +elapsed time for k point: 0.05502676963806152 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54715,7 +54714,7 @@ iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 -elapsed time for k point: 0.004747152328491211 +elapsed time for k point: 0.028714418411254883 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54740,7 +54739,7 @@ iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 -elapsed time for k point: 0.005293130874633789 +elapsed time for k point: 0.030504941940307617 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54765,7 +54764,7 @@ iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 -elapsed time for k point: 0.00519108772277832 +elapsed time for k point: 0.03119969367980957 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54794,15 +54793,15 @@ iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 -.elapsed time for k point: 0.0032892227172851562 +.elapsed time for k point: 0.025794267654418945 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% -total elapsed time for run: 0.08057260513305664 +total elapsed time for run: 0.5627071857452393 done -/tmp/meepFBAM2J/test_maximize_first_tm_gap-0: 0.34s +/tmp/meepYM7cP9/test_maximize_first_tm_gap-0: 2.69s -/tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0 +/tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54845,7 +54844,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018990039825439453 +elapsed time for initialization: 0.012279510498046875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -54956,7 +54955,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14353632926940918 +elapsed time for k point: 1.0966172218322754 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55207,7 +55206,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.43159008026123047 +elapsed time for k point: 3.20477294921875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55264,7 +55263,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0934903621673584 +elapsed time for k point: 0.5548534393310547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55317,7 +55316,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08666849136352539 +elapsed time for k point: 0.5964689254760742 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55378,7 +55377,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10028839111328125 +elapsed time for k point: 0.685659646987915 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55471,7 +55470,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15621018409729004 +elapsed time for k point: 1.278618574142456 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55542,7 +55541,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11781120300292969 +elapsed time for k point: 0.6974184513092041 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55603,7 +55602,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.1021883487701416 +elapsed time for k point: 0.31583166122436523 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55656,7 +55655,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08630847930908203 +elapsed time for k point: 0.6888492107391357 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55708,7 +55707,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08316922187805176 +elapsed time for k point: 0.502133846282959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55760,7 +55759,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08286857604980469 +elapsed time for k point: 0.4530048370361328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55801,7 +55800,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06572246551513672 +elapsed time for k point: 0.4161543846130371 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55848,7 +55847,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.076385498046875 +elapsed time for k point: 0.45948362350463867 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55911,7 +55910,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1043403148651123 +elapsed time for k point: 0.9450802803039551 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55984,7 +55983,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.15343642234802246 +elapsed time for k point: 0.9698023796081543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56179,7 +56178,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32598137855529785 +elapsed time for k point: 1.7729077339172363 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -56191,7 +56190,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.2135531902313232 +total elapsed time for run: 14.658104419708252 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56240,7 +56239,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0028533935546875 +elapsed time for initialization: 0.01615285873413086 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -56351,7 +56350,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.23821687698364258 +elapsed time for k point: 0.8118247985839844 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56602,7 +56601,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.1568918228149414 +elapsed time for k point: 1.966348648071289 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56659,7 +56658,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.14595699310302734 +elapsed time for k point: 0.30570411682128906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56712,7 +56711,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.13494038581848145 +elapsed time for k point: 0.5976011753082275 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56773,7 +56772,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1563704013824463 +elapsed time for k point: 0.5948629379272461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56866,7 +56865,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.24286317825317383 +elapsed time for k point: 0.9170472621917725 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56937,7 +56936,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1819934844970703 +elapsed time for k point: 0.6851232051849365 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56998,7 +56997,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.15612506866455078 +elapsed time for k point: 0.5932767391204834 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57051,7 +57050,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.13461732864379883 +elapsed time for k point: 0.5150132179260254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57103,7 +57102,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.129439115524292 +elapsed time for k point: 0.48099851608276367 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57155,7 +57154,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.12879562377929688 +elapsed time for k point: 0.48670220375061035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57196,7 +57195,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.10222578048706055 +elapsed time for k point: 0.3846302032470703 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57243,7 +57242,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.11787557601928711 +elapsed time for k point: 0.4545772075653076 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57306,7 +57305,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.16144108772277832 +elapsed time for k point: 0.4780616760253906 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57379,7 +57378,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1890718936920166 +elapsed time for k point: 0.39287662506103516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57574,7 +57573,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4155237674713135 +elapsed time for k point: 0.7286450862884521 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -57586,7 +57585,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.7973673343658447 +total elapsed time for run: 10.412841081619263 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57595,9 +57594,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0: 6.10s +./tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0: 25.30s -/tmp/meepFBAM2J/test_multiply_bloch_phase-0 +/tmp/meepYM7cP9/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57640,7 +57639,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002808809280395508 +elapsed time for initialization: 0.004044294357299805 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -57751,7 +57750,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.22725343704223633 +elapsed time for k point: 0.5244829654693604 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58002,7 +58001,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.6611506938934326 +elapsed time for k point: 1.1797301769256592 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58059,7 +58058,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.1469879150390625 +elapsed time for k point: 0.31609678268432617 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58112,7 +58111,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.13452720642089844 +elapsed time for k point: 0.2857513427734375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58173,7 +58172,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1633443832397461 +elapsed time for k point: 0.2915003299713135 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58266,7 +58265,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.24141812324523926 +elapsed time for k point: 0.4781324863433838 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58337,7 +58336,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1818850040435791 +elapsed time for k point: 0.32706522941589355 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58398,7 +58397,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.15433907508850098 +elapsed time for k point: 0.30129384994506836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58451,7 +58450,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1347975730895996 +elapsed time for k point: 0.28582310676574707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58503,7 +58502,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.12730789184570312 +elapsed time for k point: 0.287245512008667 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58555,7 +58554,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.12649774551391602 +elapsed time for k point: 0.25287771224975586 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58596,7 +58595,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.10250568389892578 +elapsed time for k point: 0.22250723838806152 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58643,7 +58642,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.11733174324035645 +elapsed time for k point: 0.4407198429107666 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58706,7 +58705,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1612529754638672 +elapsed time for k point: 0.56211256980896 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58779,7 +58778,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.18634462356567383 +elapsed time for k point: 0.6151697635650635 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58974,7 +58973,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.40378332138061523 +elapsed time for k point: 1.4407682418823242 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -58986,12 +58985,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.2756388187408447 +total elapsed time for run: 7.818036317825317 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepFBAM2J/test_multiply_bloch_phase-0: 3.28s +./tmp/meepYM7cP9/test_multiply_bloch_phase-0: 7.83s -/tmp/meepFBAM2J/test_output_charge_density-0 +/tmp/meepYM7cP9/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59034,7 +59033,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0021944046020507812 +elapsed time for initialization: 0.008229494094848633 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -59145,7 +59144,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.23314404487609863 +elapsed time for k point: 0.5959222316741943 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59396,7 +59395,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9145488739013672 +elapsed time for k point: 3.30495548248291 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59453,7 +59452,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0963296890258789 +elapsed time for k point: 0.5316827297210693 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59506,7 +59505,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.1791234016418457 +elapsed time for k point: 0.4926755428314209 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59567,7 +59566,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.18854713439941406 +elapsed time for k point: 0.5795073509216309 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59660,7 +59659,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.7187001705169678 +elapsed time for k point: 0.8737876415252686 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59731,7 +59730,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.35565805435180664 +elapsed time for k point: 0.3774547576904297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59792,7 +59791,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.804509162902832 +elapsed time for k point: 0.41311192512512207 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59845,7 +59844,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.5260026454925537 +elapsed time for k point: 0.5044589042663574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59897,7 +59896,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.18182706832885742 +elapsed time for k point: 0.5783984661102295 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59949,7 +59948,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.24282097816467285 +elapsed time for k point: 0.4741823673248291 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59990,7 +59989,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14324140548706055 +elapsed time for k point: 0.37759971618652344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60037,7 +60036,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.1691884994506836 +elapsed time for k point: 0.4298062324523926 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60100,7 +60099,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.2253875732421875 +elapsed time for k point: 0.6142630577087402 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60173,7 +60172,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2621936798095703 +elapsed time for k point: 0.7097606658935547 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60368,7 +60367,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5549688339233398 +elapsed time for k point: 0.9019889831542969 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -60380,13 +60379,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 5.800880193710327 +total elapsed time for run: 11.770480871200562 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepFBAM2J/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepFBAM2J/test_output_charge_density-0: 5.82s +.Outputting complex scalar field to /tmp/meepYM7cP9/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepYM7cP9/test_output_charge_density-0: 11.80s -/tmp/meepFBAM2J/test_output_dpwr_in_objects-0 +/tmp/meepYM7cP9/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60429,7 +60428,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.003217458724975586 +elapsed time for initialization: 0.005051136016845703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -60540,12 +60539,12 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3138887882232666 +elapsed time for k point: 0.3858811855316162 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 -Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60808,7 +60807,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9335222244262695 +elapsed time for k point: 1.529740810394287 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60881,7 +60880,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.21281051635742188 +elapsed time for k point: 0.40010976791381836 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60950,7 +60949,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08724617958068848 +elapsed time for k point: 0.23909282684326172 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -61027,7 +61026,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10090231895446777 +elapsed time for k point: 0.44496583938598633 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61136,7 +61135,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15791082382202148 +elapsed time for k point: 1.5310161113739014 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61223,7 +61222,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11794567108154297 +elapsed time for k point: 0.7602415084838867 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61300,7 +61299,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10065984725952148 +elapsed time for k point: 0.5726556777954102 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61369,7 +61368,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08645176887512207 +elapsed time for k point: 0.21042656898498535 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61437,7 +61436,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08319520950317383 +elapsed time for k point: 0.5115735530853271 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61505,7 +61504,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08287596702575684 +elapsed time for k point: 0.5266246795654297 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61562,7 +61561,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06576824188232422 +elapsed time for k point: 0.4131138324737549 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61625,7 +61624,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07611560821533203 +elapsed time for k point: 1.527512550354004 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61704,7 +61703,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10417652130126953 +elapsed time for k point: 4.630728721618652 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61793,7 +61792,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12188911437988281 +elapsed time for k point: 1.3819465637207031 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -62004,12 +62003,12 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25293922424316406 +elapsed time for k point: 1.9519166946411133 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 -Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -62033,11 +62032,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.9910690784454346 +total elapsed time for run: 17.725994110107422 done -/tmp/meepFBAM2J/test_output_dpwr_in_objects-0: 2.99s +/tmp/meepYM7cP9/test_output_dpwr_in_objects-0: 17.75s -/tmp/meepFBAM2J/test_output_efield_z-0 +/tmp/meepYM7cP9/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62080,7 +62079,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015873908996582031 +elapsed time for initialization: 0.012493610382080078 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -62216,7 +62215,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16735315322875977 +elapsed time for k point: 1.1571342945098877 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62267,7 +62266,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.08304786682128906 +elapsed time for k point: 0.21841096878051758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62298,7 +62297,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.04800224304199219 +elapsed time for k point: 0.10860633850097656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62329,7 +62328,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.04791259765625 +elapsed time for k point: 0.10086512565612793 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62360,7 +62359,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04799818992614746 +elapsed time for k point: 0.10020661354064941 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62391,7 +62390,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.047991037368774414 +elapsed time for k point: 0.11041569709777832 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62420,7 +62419,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04458141326904297 +elapsed time for k point: 0.09762072563171387 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62447,7 +62446,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.04086565971374512 +elapsed time for k point: 0.08971929550170898 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62476,7 +62475,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.0443570613861084 +elapsed time for k point: 0.4485747814178467 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62509,7 +62508,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.0514986515045166 +elapsed time for k point: 0.34359288215637207 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62544,7 +62543,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.055043697357177734 +elapsed time for k point: 0.3601036071777344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62581,7 +62580,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.05851411819458008 +elapsed time for k point: 0.4337184429168701 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62610,7 +62609,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.044573068618774414 +elapsed time for k point: 0.29965925216674805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62639,7 +62638,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.04444742202758789 +elapsed time for k point: 0.3709084987640381 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62672,7 +62671,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.051465511322021484 +elapsed time for k point: 0.19782447814941406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62804,7 +62803,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.1636953353881836 +elapsed time for k point: 0.43120789527893066 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -62815,13 +62814,13 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 1.0443305969238281 +total elapsed time for run: 4.884284257888794 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 -.Outputting fields to /tmp/meepFBAM2J/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepFBAM2J/test_output_efield_z-0: 1.05s +.Outputting fields to /tmp/meepYM7cP9/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepYM7cP9/test_output_efield_z-0: 4.90s -/tmp/meepFBAM2J/test_output_field_to_file-0 +/tmp/meepYM7cP9/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62864,7 +62863,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017235279083251953 +elapsed time for initialization: 0.004113912582397461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -62975,7 +62974,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14514994621276855 +elapsed time for k point: 1.3919522762298584 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63226,7 +63225,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.43558359146118164 +elapsed time for k point: 3.4638378620147705 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63283,7 +63282,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09472894668579102 +elapsed time for k point: 0.2123706340789795 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63336,7 +63335,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0872340202331543 +elapsed time for k point: 0.21711039543151855 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63397,7 +63396,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10866713523864746 +elapsed time for k point: 0.4260222911834717 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63490,7 +63489,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1571347713470459 +elapsed time for k point: 0.926201343536377 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63561,7 +63560,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11817216873168945 +elapsed time for k point: 0.7981839179992676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63622,7 +63621,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10084819793701172 +elapsed time for k point: 0.4643425941467285 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63675,7 +63674,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0864717960357666 +elapsed time for k point: 0.3239312171936035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63727,7 +63726,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0829918384552002 +elapsed time for k point: 0.6020951271057129 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63779,7 +63778,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08267617225646973 +elapsed time for k point: 0.6578288078308105 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63820,7 +63819,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06558418273925781 +elapsed time for k point: 0.47844600677490234 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63867,7 +63866,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.0760033130645752 +elapsed time for k point: 0.4069480895996094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63930,7 +63929,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10411763191223145 +elapsed time for k point: 0.5694434642791748 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64003,7 +64002,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12180805206298828 +elapsed time for k point: 0.7742393016815186 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64198,7 +64197,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2527790069580078 +elapsed time for k point: 1.899641990661621 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -64210,13 +64209,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1232564449310303 +total elapsed time for run: 13.621763706207275 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepFBAM2J/test_output_field_to_file-0-epsilon.h5... -/tmp/meepFBAM2J/test_output_field_to_file-0: 2.14s +.Outputting /tmp/meepYM7cP9/test_output_field_to_file-0-epsilon.h5... +/tmp/meepYM7cP9/test_output_field_to_file-0: 13.70s -/tmp/meepFBAM2J/test_output_tot_pwr-0 +/tmp/meepYM7cP9/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64259,7 +64258,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016369819641113281 +elapsed time for initialization: 0.06258392333984375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -64370,7 +64369,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14279532432556152 +elapsed time for k point: 1.3831803798675537 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64621,7 +64620,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.42743730545043945 +elapsed time for k point: 4.407744884490967 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64678,7 +64677,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09357857704162598 +elapsed time for k point: 0.655247688293457 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64731,7 +64730,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08680391311645508 +elapsed time for k point: 0.2345876693725586 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64792,7 +64791,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10049033164978027 +elapsed time for k point: 0.23368358612060547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64885,7 +64884,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1563735008239746 +elapsed time for k point: 0.879345178604126 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64956,7 +64955,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11780762672424316 +elapsed time for k point: 0.7831811904907227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65017,7 +65016,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10064888000488281 +elapsed time for k point: 0.6639893054962158 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65070,7 +65069,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08649992942810059 +elapsed time for k point: 0.51766037940979 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65122,7 +65121,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08291745185852051 +elapsed time for k point: 0.5927245616912842 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65174,7 +65173,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08279752731323242 +elapsed time for k point: 0.23877477645874023 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65215,7 +65214,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06570029258728027 +elapsed time for k point: 0.19536900520324707 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65262,7 +65261,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07585430145263672 +elapsed time for k point: 0.20823407173156738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65325,7 +65324,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10410165786743164 +elapsed time for k point: 0.2806692123413086 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65398,7 +65397,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12121152877807617 +elapsed time for k point: 0.8908743858337402 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65593,7 +65592,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25257086753845215 +elapsed time for k point: 2.16862416267395 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -65605,16 +65604,16 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.100841522216797 +total elapsed time for run: 14.39958381652832 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepFBAM2J/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepYM7cP9/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -./tmp/meepFBAM2J/test_output_tot_pwr-0: 2.11s +./tmp/meepYM7cP9/test_output_tot_pwr-0: 14.42s -/tmp/meepFBAM2J/test_point_defect_state-0 +/tmp/meepYM7cP9/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65692,7 +65691,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.03686356544494629 +elapsed time for initialization: 0.20543146133422852 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... @@ -66218,321 +66217,321 @@ linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. - iteration 8: trace = 2.167774130834345 (0.275766% change) + iteration 8: trace = 2.167774130834347 (0.275766% change) linmin: converged after 5 iterations. - iteration 9: trace = 2.163580412369531 (0.193645% change) + iteration 9: trace = 2.163580412369534 (0.193645% change) linmin: converged after 5 iterations. - iteration 10: trace = 2.159739063083735 (0.177704% change) + iteration 10: trace = 2.159739063083734 (0.177704% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.157022098206512 (0.12588% change) + iteration 11: trace = 2.15702209820651 (0.12588% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.155362899544595 (0.0769504% change) + iteration 12: trace = 2.155362899544596 (0.0769504% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.154174695745531 (0.055143% change) + iteration 13: trace = 2.15417469574553 (0.055143% change) linmin: converged after 5 iterations. - iteration 14: trace = 2.153097710199355 (0.0500078% change) + iteration 14: trace = 2.153097710199354 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. - iteration 16: trace = 2.151804496012085 (0.0256456% change) + iteration 16: trace = 2.151804496012086 (0.0256456% change) linmin: converged after 5 iterations. - iteration 17: trace = 2.151338213212591 (0.0216717% change) + iteration 17: trace = 2.151338213212585 (0.0216717% change) linmin: converged after 4 iterations. - iteration 18: trace = 2.151061655416888 (0.012856% change) + iteration 18: trace = 2.151061655416886 (0.012856% change) linmin: converged after 5 iterations. - iteration 19: trace = 2.150823285355223 (0.0110821% change) - linmin: converged after 4 iterations. - iteration 20: trace = 2.150656547787734 (0.00775257% change) + iteration 19: trace = 2.150823285355221 (0.0110821% change) + linmin: converged after 5 iterations. + iteration 20: trace = 2.150656547787729 (0.00775257% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.150547249174874 (0.00508223% change) + iteration 21: trace = 2.150547249174877 (0.00508223% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.150480112751347 (0.00312188% change) + iteration 22: trace = 2.150480112751344 (0.00312188% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.150447078138262 (0.00153616% change) - linmin: converged after 6 iterations. - iteration 24: trace = 2.150426792532528 (0.000943325% change) + iteration 23: trace = 2.150447078138263 (0.00153616% change) linmin: converged after 5 iterations. - iteration 25: trace = 2.150415528122599 (0.000523823% change) + iteration 24: trace = 2.150426792532505 (0.000943325% change) linmin: converged after 4 iterations. - iteration 26: trace = 2.150409798893993 (0.000266425% change) + iteration 25: trace = 2.150415528122167 (0.000523823% change) linmin: converged after 4 iterations. - iteration 27: trace = 2.150405289612995 (0.000209694% change) + iteration 26: trace = 2.150409798893981 (0.000266425% change) + linmin: converged after 6 iterations. + iteration 27: trace = 2.150405289612916 (0.000209694% change) linmin: converged after 5 iterations. - iteration 28: trace = 2.150402141190848 (0.000146411% change) + iteration 28: trace = 2.150402141190802 (0.000146411% change) linmin: converged after 5 iterations. - iteration 29: trace = 2.150399522462378 (0.000121779% change) - linmin: converged after 6 iterations. - iteration 30: trace = 2.15039665038708 (0.00013356% change) + iteration 29: trace = 2.150399522462351 (0.000121779% change) + linmin: converged after 8 iterations. + iteration 30: trace = 2.150396650386881 (0.00013356% change) linmin: converged after 5 iterations. - iteration 31: trace = 2.150393099657722 (0.00016512% change) + iteration 31: trace = 2.150393099657709 (0.00016512% change) linmin: converged after 6 iterations. - iteration 32: trace = 2.150387655108852 (0.000253189% change) + iteration 32: trace = 2.150387655108673 (0.000253189% change) linmin: converged after 5 iterations. - iteration 33: trace = 2.150380791558313 (0.000319178% change) - linmin: converged after 6 iterations. - iteration 34: trace = 2.150373779754988 (0.000326073% change) - linmin: converged after 6 iterations. - iteration 35: trace = 2.150366764597099 (0.00032623% change) - linmin: converged after 7 iterations. - iteration 36: trace = 2.150359397062003 (0.000342618% change) + iteration 33: trace = 2.1503807915581 (0.000319178% change) linmin: converged after 5 iterations. - iteration 37: trace = 2.150351903688224 (0.000348471% change) + iteration 34: trace = 2.15037377975487 (0.000326073% change) linmin: converged after 5 iterations. - iteration 38: trace = 2.150343144581451 (0.000407334% change) + iteration 35: trace = 2.150366764596702 (0.00032623% change) linmin: converged after 6 iterations. - iteration 39: trace = 2.150335244515378 (0.000367387% change) + iteration 36: trace = 2.150359397061859 (0.000342618% change) linmin: converged after 6 iterations. - iteration 40: trace = 2.150328828223113 (0.000298386% change) + iteration 37: trace = 2.150351903689407 (0.000348471% change) + linmin: converged after 11 iterations. + iteration 38: trace = 2.150343144579903 (0.000407335% change) linmin: converged after 5 iterations. - iteration 41: trace = 2.150323123442618 (0.000265298% change) + iteration 39: trace = 2.15033524451654 (0.000367387% change) + linmin: converged after 4 iterations. + iteration 40: trace = 2.150328828221297 (0.000298386% change) linmin: converged after 5 iterations. - iteration 42: trace = 2.150319840871887 (0.000152655% change) + iteration 41: trace = 2.150323123441815 (0.000265298% change) linmin: converged after 3 iterations. - iteration 43: trace = 2.150317369712293 (0.000114921% change) - linmin: converged after 10 iterations. - iteration 44: trace = 2.150315485749122 (8.76133e-05% change) - linmin: converged after 4 iterations. - iteration 45: trace = 2.150314485103233 (4.65349e-05% change) + iteration 42: trace = 2.150319840871659 (0.000152655% change) linmin: converged after 3 iterations. - iteration 46: trace = 2.150313850325438 (2.95202e-05% change) - linmin: converged after 5 iterations. - iteration 47: trace = 2.150313567748734 (1.31412e-05% change) - linmin: converged after 5 iterations. - iteration 48: trace = 2.150313402389934 (7.68999e-06% change) + iteration 43: trace = 2.150317369711702 (0.000114921% change) + linmin: converged after 6 iterations. + iteration 44: trace = 2.15031548574945 (8.76133e-05% change) + linmin: converged after 3 iterations. + iteration 45: trace = 2.150314485103042 (4.65349e-05% change) linmin: converged after 7 iterations. - iteration 49: trace = 2.150313290594287 (5.19904e-06% change) + iteration 46: trace = 2.150313850325226 (2.95202e-05% change) + linmin: converged after 5 iterations. + iteration 47: trace = 2.150313567748621 (1.31412e-05% change) linmin: converged after 7 iterations. - iteration 50: trace = 2.150313233313265 (2.66385e-06% change) - linmin: converged after 10 iterations. - iteration 51: trace = 2.150313205104854 (1.31183e-06% change) - linmin: converged after 3 iterations. - iteration 52: trace = 2.150313191064191 (6.52959e-07% change) + iteration 48: trace = 2.150313402389803 (7.68999e-06% change) + linmin: converged after 5 iterations. + iteration 49: trace = 2.150313290594153 (5.19904e-06% change) + linmin: converged after 6 iterations. + iteration 50: trace = 2.150313233311027 (2.66394e-06% change) + linmin: converged after 8 iterations. + iteration 51: trace = 2.150313205104588 (1.31174e-06% change) linmin: converged after 2 iterations. - iteration 53: trace = 2.150313183156568 (3.67743e-07% change) - linmin: converged after 4 iterations. - iteration 54: trace = 2.150313178006574 (2.395e-07% change) + iteration 52: trace = 2.150313191064193 (6.52947e-07% change) + linmin: converged after 2 iterations. + iteration 53: trace = 2.150313183156648 (3.67739e-07% change) + linmin: converged after 2 iterations. + iteration 54: trace = 2.150313178006798 (2.39493e-07% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.150313174684764 (1.5448e-07% change) + iteration 55: trace = 2.15031317468481 (1.54489e-07% change) linmin: converged after 4 iterations. - iteration 56: trace = 2.150313172987224 (7.89439e-08% change) - linmin: converged after 21 iterations. - iteration 57: trace = 2.150313171840691 (5.33193e-08% change) + iteration 56: trace = 2.150313172987311 (7.89419e-08% change) linmin: converged after 3 iterations. - iteration 58: trace = 2.150313171039512 (3.72587e-08% change) - linmin: converged after 13 iterations. - iteration 59: trace = 2.150313170619235 (1.95449e-08% change) + iteration 57: trace = 2.150313171840801 (5.33183e-08% change) linmin: converged after 2 iterations. - iteration 60: trace = 2.15031317031079 (1.43442e-08% change) - linmin: converged after 3 iterations. - iteration 61: trace = 2.150313170079609 (1.0751e-08% change) + iteration 58: trace = 2.150313171039609 (3.72593e-08% change) + linmin: converged after 4 iterations. + iteration 59: trace = 2.150313170619346 (1.95442e-08% change) linmin: converged after 3 iterations. - iteration 62: trace = 2.150313169877512 (9.39851e-09% change) + iteration 60: trace = 2.150313170310902 (1.43442e-08% change) linmin: converged after 2 iterations. - iteration 63: trace = 2.150313169681881 (9.09777e-09% change) + iteration 61: trace = 2.150313170079691 (1.07524e-08% change) linmin: converged after 2 iterations. - iteration 64: trace = 2.150313169527683 (7.17098e-09% change) - linmin: converged after 2 iterations. - iteration 65: trace = 2.150313169349942 (8.26582e-09% change) - linmin: converged after 2 iterations. - iteration 66: trace = 2.150313169165071 (8.59741e-09% change) - linmin: converged after 11 iterations. - iteration 67: trace = 2.150313168972158 (8.97138e-09% change) + iteration 62: trace = 2.15031316987761 (9.39775e-09% change) + linmin: converged after 4 iterations. + iteration 63: trace = 2.150313169681972 (9.09815e-09% change) + linmin: converged after 6 iterations. + iteration 64: trace = 2.150313169527739 (7.17259e-09% change) + linmin: converged after 3 iterations. + iteration 65: trace = 2.15031316935002 (8.26478e-09% change) linmin: converged after 2 iterations. - iteration 68: trace = 2.150313168727332 (1.13856e-08% change) + iteration 66: trace = 2.150313169165146 (8.59755e-09% change) + linmin: converged after 5 iterations. + iteration 67: trace = 2.150313168972199 (8.97295e-09% change) + linmin: converged after 4 iterations. + iteration 68: trace = 2.150313168727388 (1.13849e-08% change) linmin: converged after 3 iterations. - iteration 69: trace = 2.150313168488646 (1.11001e-08% change) + iteration 69: trace = 2.150313168488697 (1.11003e-08% change) resetting CG direction... - linmin: converged after 2 iterations. - iteration 70: trace = 2.150313168384446 (4.84579e-09% change) + linmin: converged after 6 iterations. + iteration 70: trace = 2.15031316838449 (4.84615e-09% change) + linmin: converged after 3 iterations. + iteration 71: trace = 2.150313168200631 (8.55034e-09% change) linmin: converged after 3 iterations. - iteration 71: trace = 2.150313168200573 (8.55098e-09% change) + iteration 72: trace = 2.150313168068283 (6.15482e-09% change) linmin: converged after 2 iterations. - iteration 72: trace = 2.150313168068241 (6.1541e-09% change) + iteration 73: trace = 2.150313167955831 (5.22958e-09% change) + linmin: converged after 4 iterations. + iteration 74: trace = 2.150313167849667 (4.93712e-09% change) linmin: converged after 2 iterations. - iteration 73: trace = 2.150313167955788 (5.22962e-09% change) + iteration 75: trace = 2.150313167775666 (3.44142e-09% change) linmin: converged after 3 iterations. - iteration 74: trace = 2.150313167849613 (4.93761e-09% change) - linmin: converged after 3 iterations. - iteration 75: trace = 2.150313167775622 (3.44096e-09% change) - linmin: converged after 3 iterations. - iteration 76: trace = 2.150313167691678 (3.90378e-09% change) + iteration 76: trace = 2.15031316769171 (3.90438e-09% change) linmin: converged after 2 iterations. - iteration 77: trace = 2.150313167607472 (3.91603e-09% change) + iteration 77: trace = 2.150313167607504 (3.91597e-09% change) linmin: converged after 2 iterations. - iteration 78: trace = 2.150313167537983 (3.23157e-09% change) + iteration 78: trace = 2.150313167538014 (3.23163e-09% change) linmin: converged after 2 iterations. - iteration 79: trace = 2.150313167462588 (3.5062e-09% change) - linmin: converged after 6 iterations. - iteration 80: trace = 2.150313167392504 (3.25928e-09% change) + iteration 79: trace = 2.150313167462598 (3.50719e-09% change) linmin: converged after 2 iterations. - iteration 81: trace = 2.150313167303481 (4.13996e-09% change) - linmin: converged after 4 iterations. - iteration 82: trace = 2.150313167175205 (5.96546e-09% change) + iteration 80: trace = 2.150313167392543 (3.25792e-09% change) linmin: converged after 2 iterations. - iteration 83: trace = 2.150313167058008 (5.45023e-09% change) + iteration 81: trace = 2.15031316730351 (4.14044e-09% change) + linmin: converged after 3 iterations. + iteration 82: trace = 2.150313167175226 (5.96583e-09% change) + linmin: converged after 4 iterations. + iteration 83: trace = 2.150313167058024 (5.45049e-09% change) linmin: converged after 6 iterations. - iteration 84: trace = 2.150313166920491 (6.39521e-09% change) + iteration 84: trace = 2.150313166920506 (6.39525e-09% change) linmin: converged after 2 iterations. - iteration 85: trace = 2.150313166761648 (7.38698e-09% change) + iteration 85: trace = 2.150313166761667 (7.38677e-09% change) linmin: converged after 3 iterations. - iteration 86: trace = 2.150313166661039 (4.67882e-09% change) - linmin: converged after 3 iterations. - iteration 87: trace = 2.150313166582913 (3.63324e-09% change) + iteration 86: trace = 2.150313166661037 (4.67979e-09% change) + linmin: converged after 2 iterations. + iteration 87: trace = 2.150313166582903 (3.63359e-09% change) + linmin: converged after 7 iterations. + iteration 88: trace = 2.150313166516761 (3.07593e-09% change) + linmin: converged after 2 iterations. + iteration 89: trace = 2.150313166476429 (1.87564e-09% change) linmin: converged after 4 iterations. - iteration 88: trace = 2.150313166516767 (3.0761e-09% change) - linmin: converged after 3 iterations. - iteration 89: trace = 2.150313166476436 (1.87558e-09% change) - linmin: converged after 3 iterations. - iteration 90: trace = 2.150313166453959 (1.04532e-09% change) + iteration 90: trace = 2.15031316645396 (1.0449e-09% change) linmin: converged after 4 iterations. - iteration 91: trace = 2.150313166443228 (4.99022e-10% change) - linmin: converged after 2 iterations. - iteration 92: trace = 2.150313166437208 (2.79963e-10% change) + iteration 91: trace = 2.150313166443228 (4.99104e-10% change) + linmin: converged after 6 iterations. + iteration 92: trace = 2.150313166437209 (2.79901e-10% change) + linmin: converged after 4 iterations. + iteration 93: trace = 2.150313166432872 (2.0169e-10% change) linmin: converged after 3 iterations. - iteration 93: trace = 2.150313166432881 (2.01236e-10% change) - linmin: converged after 7 iterations. - iteration 94: trace = 2.15031316643078 (9.7706e-11% change) + iteration 94: trace = 2.150313166430776 (9.74995e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace - linmin: converged after 13 iterations. - iteration 1: trace = 8.545615064988477 (191.103% change) linmin: converged after 8 iterations. - iteration 2: trace = 3.261177020959319 (89.5152% change) - linmin: converged after 6 iterations. - iteration 3: trace = 2.735430573200602 (17.5348% change) + iteration 1: trace = 8.545615064955346 (191.103% change) + linmin: converged after 8 iterations. + iteration 2: trace = 3.261177021002489 (89.5152% change) linmin: converged after 6 iterations. - iteration 4: trace = 2.599623175177841 (5.09114% change) + iteration 3: trace = 2.735430573230346 (17.5348% change) + linmin: converged after 5 iterations. + iteration 4: trace = 2.599623175194042 (5.09114% change) linmin: converged after 6 iterations. - iteration 5: trace = 2.527777768730765 (2.80241% change) + iteration 5: trace = 2.527777768746663 (2.80241% change) linmin: converged after 6 iterations. - iteration 6: trace = 2.486971986894361 (1.62743% change) + iteration 6: trace = 2.486971986915944 (1.62743% change) linmin: converged after 5 iterations. - iteration 7: trace = 2.468814644263359 (0.732773% change) - linmin: converged after 7 iterations. - iteration 8: trace = 2.458530008747287 (0.417451% change) + iteration 7: trace = 2.468814644289866 (0.732773% change) + linmin: converged after 5 iterations. + iteration 8: trace = 2.458530008775574 (0.417451% change) linmin: converged after 5 iterations. - iteration 9: trace = 2.452010604792638 (0.265527% change) + iteration 9: trace = 2.452010604897636 (0.265527% change) linmin: converged after 5 iterations. - iteration 10: trace = 2.446951935961674 (0.20652% change) + iteration 10: trace = 2.446951935982947 (0.20652% change) linmin: converged after 5 iterations. - iteration 11: trace = 2.443000264878866 (0.161624% change) + iteration 11: trace = 2.443000264868221 (0.161624% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.440801958902615 (0.0900244% change) + iteration 12: trace = 2.440801958887805 (0.0900244% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.439651917245068 (0.0471285% change) + iteration 13: trace = 2.439651917262315 (0.0471285% change) linmin: converged after 5 iterations. - iteration 14: trace = 2.438794386046162 (0.0351559% change) + iteration 14: trace = 2.438794386057058 (0.0351559% change) linmin: converged after 5 iterations. - iteration 15: trace = 2.438022815245383 (0.0316424% change) + iteration 15: trace = 2.43802281526741 (0.0316424% change) linmin: converged after 5 iterations. - iteration 16: trace = 2.437314214162286 (0.0290688% change) + iteration 16: trace = 2.437314214189137 (0.0290688% change) linmin: converged after 5 iterations. - iteration 17: trace = 2.436427434786529 (0.0363901% change) + iteration 17: trace = 2.436427434798389 (0.0363901% change) linmin: converged after 5 iterations. - iteration 18: trace = 2.435606064883372 (0.0337177% change) + iteration 18: trace = 2.435606064887636 (0.0337177% change) linmin: converged after 5 iterations. - iteration 19: trace = 2.435080522313934 (0.0215798% change) + iteration 19: trace = 2.435080522321182 (0.0215798% change) linmin: converged after 5 iterations. - iteration 20: trace = 2.434730903992929 (0.0143586% change) + iteration 20: trace = 2.434730903995121 (0.0143586% change) linmin: converged after 5 iterations. - iteration 21: trace = 2.434515489420207 (0.00884796% change) - linmin: converged after 4 iterations. - iteration 22: trace = 2.43439015648767 (0.0051483% change) + iteration 21: trace = 2.434515489424045 (0.00884796% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.43428994212513 (0.0041167% change) + iteration 22: trace = 2.434390156492517 (0.0051483% change) linmin: converged after 4 iterations. - iteration 24: trace = 2.434215166715971 (0.0030718% change) + iteration 23: trace = 2.434289942129963 (0.0041167% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.43415114845797 (0.00262997% change) + iteration 24: trace = 2.434215166718979 (0.0030718% change) linmin: converged after 4 iterations. - iteration 26: trace = 2.434099388359072 (0.00212644% change) - linmin: converged after 4 iterations. - iteration 27: trace = 2.434069520683534 (0.00122706% change) + iteration 25: trace = 2.43415114846057 (0.00262997% change) + linmin: converged after 5 iterations. + iteration 26: trace = 2.434099388359106 (0.00212644% change) linmin: converged after 4 iterations. - iteration 28: trace = 2.434051894177866 (0.00072416% change) + iteration 27: trace = 2.434069520682713 (0.00122706% change) + linmin: converged after 6 iterations. + iteration 28: trace = 2.434051894177385 (0.00072416% change) linmin: converged after 6 iterations. - iteration 29: trace = 2.434040920660008 (0.000450834% change) + iteration 29: trace = 2.434040920659748 (0.000450834% change) linmin: converged after 6 iterations. - iteration 30: trace = 2.434034872116067 (0.000248498% change) + iteration 30: trace = 2.434034872115986 (0.000248498% change) linmin: converged after 5 iterations. - iteration 31: trace = 2.434031134496718 (0.000153557% change) + iteration 31: trace = 2.434031134496804 (0.000153557% change) linmin: converged after 5 iterations. - iteration 32: trace = 2.434028967612021 (8.90246e-05% change) + iteration 32: trace = 2.434028967612147 (8.90246e-05% change) linmin: converged after 5 iterations. - iteration 33: trace = 2.434027725302496 (5.10392e-05% change) + iteration 33: trace = 2.434027725302595 (5.10392e-05% change) + linmin: converged after 6 iterations. + iteration 34: trace = 2.434026886520718 (3.44607e-05% change) linmin: converged after 5 iterations. - iteration 34: trace = 2.43402688652064 (3.44607e-05% change) + iteration 35: trace = 2.43402613865067 (3.07256e-05% change) linmin: converged after 5 iterations. - iteration 35: trace = 2.434026138650661 (3.07256e-05% change) + iteration 36: trace = 2.4340254509205 (2.82548e-05% change) linmin: converged after 5 iterations. - iteration 36: trace = 2.434025450920533 (2.82548e-05% change) + iteration 37: trace = 2.434024951043304 (2.05371e-05% change) linmin: converged after 5 iterations. - iteration 37: trace = 2.434024951043302 (2.05371e-05% change) + iteration 38: trace = 2.434024674066363 (1.13794e-05% change) linmin: converged after 5 iterations. - iteration 38: trace = 2.434024674066367 (1.13794e-05% change) - linmin: converged after 11 iterations. - iteration 39: trace = 2.434024546234764 (5.25186e-06% change) + iteration 39: trace = 2.434024546234761 (5.25186e-06% change) linmin: converged after 4 iterations. - iteration 40: trace = 2.434024472708239 (3.02078e-06% change) - linmin: converged after 16 iterations. - iteration 41: trace = 2.434024422641628 (2.05695e-06% change) + iteration 40: trace = 2.434024472707927 (3.02079e-06% change) + linmin: converged after 7 iterations. + iteration 41: trace = 2.434024422642368 (2.0569e-06% change) linmin: converged after 5 iterations. - iteration 42: trace = 2.434024388298194 (1.41097e-06% change) - linmin: converged after 10 iterations. - iteration 43: trace = 2.434024363245127 (1.02929e-06% change) + iteration 42: trace = 2.434024388298618 (1.41099e-06% change) + linmin: converged after 7 iterations. + iteration 43: trace = 2.434024363245329 (1.02929e-06% change) linmin: converged after 2 iterations. - iteration 44: trace = 2.434024345052513 (7.47429e-07% change) + iteration 44: trace = 2.434024345052931 (7.47421e-07% change) + linmin: converged after 3 iterations. + iteration 45: trace = 2.434024334362956 (4.39189e-07% change) + linmin: converged after 7 iterations. + iteration 46: trace = 2.434024326948149 (3.04632e-07% change) linmin: converged after 2 iterations. - iteration 45: trace = 2.434024334362809 (4.39178e-07% change) + iteration 47: trace = 2.434024320899215 (2.48516e-07% change) linmin: converged after 2 iterations. - iteration 46: trace = 2.434024326947982 (3.04632e-07% change) + iteration 48: trace = 2.434024317216479 (1.51302e-07% change) linmin: converged after 2 iterations. - iteration 47: trace = 2.434024320899082 (2.48514e-07% change) - linmin: converged after 3 iterations. - iteration 48: trace = 2.434024317216461 (1.51298e-07% change) + iteration 49: trace = 2.434024315166997 (8.42014e-08% change) linmin: converged after 2 iterations. - iteration 49: trace = 2.434024315166989 (8.4201e-08% change) + iteration 50: trace = 2.434024314138602 (4.22508e-08% change) linmin: converged after 2 iterations. - iteration 50: trace = 2.434024314138627 (4.22495e-08% change) - linmin: converged after 3 iterations. - iteration 51: trace = 2.434024313589964 (2.25414e-08% change) - linmin: converged after 3 iterations. - iteration 52: trace = 2.434024313234834 (1.45902e-08% change) - linmin: converged after 3 iterations. - iteration 53: trace = 2.434024312971761 (1.08082e-08% change) - linmin: converged after 5 iterations. - iteration 54: trace = 2.434024312719699 (1.03558e-08% change) + iteration 51: trace = 2.434024313589948 (2.2541e-08% change) + linmin: converged after 2 iterations. + iteration 52: trace = 2.434024313234822 (1.45901e-08% change) linmin: converged after 2 iterations. - iteration 55: trace = 2.434024312512227 (8.5238e-09% change) + iteration 53: trace = 2.434024312971753 (1.0808e-08% change) linmin: converged after 2 iterations. - iteration 56: trace = 2.434024312381284 (5.3797e-09% change) + iteration 54: trace = 2.434024312719689 (1.03559e-08% change) linmin: converged after 4 iterations. - iteration 57: trace = 2.434024312305171 (3.12702e-09% change) - linmin: converged after 3 iterations. - iteration 58: trace = 2.434024312262395 (1.75746e-09% change) - linmin: converged after 3 iterations. - iteration 59: trace = 2.434024312237022 (1.04241e-09% change) + iteration 55: trace = 2.434024312512236 (8.52303e-09% change) linmin: converged after 4 iterations. - iteration 60: trace = 2.434024312222581 (5.93293e-10% change) - linmin: converged after 3 iterations. - iteration 61: trace = 2.434024312214297 (3.40325e-10% change) + iteration 56: trace = 2.434024312381283 (5.38009e-09% change) linmin: converged after 3 iterations. - iteration 62: trace = 2.434024312207981 (2.59518e-10% change) + iteration 57: trace = 2.434024312305164 (3.12729e-09% change) + linmin: converged after 4 iterations. + iteration 58: trace = 2.434024312262389 (1.7574e-09% change) + linmin: converged after 6 iterations. + iteration 59: trace = 2.434024312237017 (1.0424e-09% change) + linmin: converged after 5 iterations. + iteration 60: trace = 2.434024312222584 (5.92946e-10% change) + linmin: converged after 4 iterations. + iteration 61: trace = 2.434024312214287 (3.40891e-10% change) linmin: converged after 3 iterations. - iteration 63: trace = 2.434024312203503 (1.83983e-10% change) + iteration 62: trace = 2.434024312207971 (2.59463e-10% change) + linmin: converged after 6 iterations. + iteration 63: trace = 2.434024312203509 (1.83326e-10% change) linmin: converged after 3 iterations. - iteration 64: trace = 2.434024312200226 (1.3463e-10% change) + iteration 64: trace = 2.434024312200225 (1.34922e-10% change) linmin: converged after 3 iterations. - iteration 65: trace = 2.43402431219786 (9.72097e-11% change) + iteration 65: trace = 2.434024312197838 (9.80672e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 -elapsed time for k point: 69.55634021759033 -total elapsed time for run: 69.59357714653015 +elapsed time for k point: 377.16282320022583 +total elapsed time for run: 377.3686375617981 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 -Outputting fields to /tmp/meepFBAM2J/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66612,7 +66611,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.014231681823730469 +elapsed time for initialization: 0.0489046573638916 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66749,245 +66748,245 @@ iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. - iteration 59: trace = 0.0009893701135198281 (5.48166% change) + iteration 59: trace = 0.0009893701135198292 (5.48166% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0009134884190754318 (7.97555% change) + iteration 60: trace = 0.0009134884190754299 (7.97555% change) linmin: converged after 3 iterations. - iteration 61: trace = 0.0008747574426590745 (4.33173% change) + iteration 61: trace = 0.0008747574426590694 (4.33173% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000858354469847565 (1.89289% change) + iteration 62: trace = 0.000858354469847563 (1.89289% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008424113301520901 (1.87482% change) + iteration 63: trace = 0.0008424113301520909 (1.87482% change) linmin: converged after 3 iterations. - iteration 64: trace = 0.0008152380191264982 (3.27854% change) + iteration 64: trace = 0.0008152380191264975 (3.27854% change) linmin: converged after 3 iterations. - iteration 65: trace = 0.0007878477209784786 (3.4172% change) + iteration 65: trace = 0.0007878477209784779 (3.4172% change) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007745627297707628 (1.70058% change) + iteration 66: trace = 0.0007745627297707618 (1.70058% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007672194415439306 (0.952571% change) + iteration 67: trace = 0.0007672194415439325 (0.952571% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007562123534745159 (1.44504% change) + iteration 68: trace = 0.0007562123534745165 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. - iteration 69: trace = 0.0007292232463818434 (3.63383% change) + iteration 69: trace = 0.0007292232463818413 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.000720171878879658 (1.24899% change) + iteration 70: trace = 0.0007201718788796592 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006820040470914096 (5.44409% change) + iteration 71: trace = 0.0006820040470914168 (5.44409% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006742704060955606 (1.14042% change) + iteration 72: trace = 0.0006742704060955676 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. - iteration 73: trace = 0.0005003027005619296 (29.6223% change) + iteration 73: trace = 0.0005003027005612641 (29.6223% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.000490365838401777 (2.00609% change) + iteration 74: trace = 0.0004903658384017742 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. - iteration 75: trace = 0.0004599272329149868 (6.40615% change) + iteration 75: trace = 0.0004599272329149532 (6.40615% change) linmin: converged after 3 iterations. - iteration 76: trace = 0.0004555356683804556 (0.959419% change) + iteration 76: trace = 0.0004555356683804523 (0.959419% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.00045493958832287 (0.130938% change) + iteration 77: trace = 0.0004549395883227713 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004518602134421153 (0.679174% change) + iteration 78: trace = 0.0004518602134421152 (0.679174% change) linmin: converged after 3 iterations. - iteration 79: trace = 0.0004469389689300242 (1.09507% change) + iteration 79: trace = 0.0004469389689295624 (1.09507% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004430305347445143 (0.87833% change) + iteration 80: trace = 0.0004430305347444902 (0.87833% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0004426074253562628 (0.0955491% change) + iteration 81: trace = 0.000442607425356213 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004365008052143844 (1.38928% change) + iteration 82: trace = 0.0004365008052143807 (1.38928% change) linmin: converged after 2 iterations. - iteration 83: trace = 0.0004357919435503435 (0.162528% change) + iteration 83: trace = 0.0004357919435499626 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. - iteration 84: trace = 0.0004324623297514738 (0.766967% change) + iteration 84: trace = 0.0004324623297514571 (0.766967% change) linmin: converged after 2 iterations. - iteration 85: trace = 0.000432289073001036 (0.0400709% change) + iteration 85: trace = 0.0004322890730010333 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. - iteration 86: trace = 0.0004268775609673482 (1.25971% change) + iteration 86: trace = 0.0004268775609671831 (1.25971% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.000426488620218929 (0.0911545% change) + iteration 87: trace = 0.000426488620218934 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. - iteration 88: trace = 0.0004234535788968569 (0.714176% change) + iteration 88: trace = 0.0004234535788968159 (0.714176% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004232426024739949 (0.0498352% change) + iteration 89: trace = 0.0004232426024739935 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0004217579218241389 (0.351403% change) + iteration 90: trace = 0.0004217579218232346 (0.351403% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0004207658759738874 (0.235494% change) + iteration 91: trace = 0.0004207658759738886 (0.235494% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0004196438065784965 (0.267029% change) + iteration 92: trace = 0.000419643806578354 (0.267029% change) linmin: converged after 4 iterations. - iteration 93: trace = 0.0004186306125287541 (0.241733% change) + iteration 93: trace = 0.0004186306125287615 (0.241733% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0004184953846839999 (0.0323076% change) + iteration 94: trace = 0.0004184953846838694 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. - iteration 95: trace = 0.0004179692102346515 (0.125809% change) + iteration 95: trace = 0.0004179692102346542 (0.125809% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0004174146485235401 (0.132768% change) + iteration 96: trace = 0.0004174146485233506 (0.132768% change) linmin: converged after 4 iterations. - iteration 97: trace = 0.0004169210653863607 (0.118318% change) + iteration 97: trace = 0.0004169210653863518 (0.118318% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0004168953516526212 (0.00616772% change) + iteration 98: trace = 0.000416895351652614 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. - iteration 99: trace = 0.0004160835439875339 (0.194917% change) + iteration 99: trace = 0.0004160835439875391 (0.194917% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0004159547361828121 (0.030962% change) + iteration 100: trace = 0.0004159547361826709 (0.030962% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004157198047668405 (0.056496% change) + iteration 101: trace = 0.0004157198047668428 (0.056496% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0004156861673654086 (0.00809169% change) + iteration 102: trace = 0.0004156861673653842 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. - iteration 103: trace = 0.0004150157701166531 (0.161405% change) + iteration 103: trace = 0.0004150157701166503 (0.161405% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0004149907929756343 (0.00601854% change) + iteration 104: trace = 0.0004149907929756055 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0004147628363877602 (0.0549456% change) + iteration 105: trace = 0.0004147628363877637 (0.0549456% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0004147394189410975 (0.00564614% change) + iteration 106: trace = 0.00041473941894106 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0004145988939496256 (0.0338885% change) + iteration 107: trace = 0.000414598893949622 (0.0338885% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0004145923269926584 (0.00158394% change) + iteration 108: trace = 0.0004145923269926535 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0004144394960417955 (0.0368697% change) + iteration 109: trace = 0.0004144394960417982 (0.0368697% change) linmin: converged after 3 iterations. - iteration 110: trace = 0.0004143662526703303 (0.0176744% change) + iteration 110: trace = 0.0004143662526703229 (0.0176744% change) linmin: converged after 3 iterations. - iteration 111: trace = 0.0004143003725873115 (0.0159003% change) + iteration 111: trace = 0.0004143003725873108 (0.0159003% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004142972990297622 (0.00074187% change) + iteration 112: trace = 0.0004142972990297597 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. - iteration 113: trace = 0.0004141279401301865 (0.0408869% change) + iteration 113: trace = 0.000414127940130185 (0.0408869% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004141257884175344 (0.000519578% change) + iteration 114: trace = 0.0004141257884175342 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. - iteration 115: trace = 0.0004141063987730476 (0.00468218% change) + iteration 115: trace = 0.0004141063987730488 (0.00468218% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004141042374139381 (0.000521935% change) + iteration 116: trace = 0.0004141042374139382 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. - iteration 117: trace = 0.000414029149370798 (0.0181343% change) + iteration 117: trace = 0.0004140291493707971 (0.0181343% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004140277758762922 (0.000331739% change) + iteration 118: trace = 0.0004140277758762924 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004139899444001901 (0.00913784% change) + iteration 119: trace = 0.0004139899444001971 (0.00913784% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004139873451097992 (0.000627865% change) + iteration 120: trace = 0.0004139873451098017 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004139722345276474 (0.00365008% change) + iteration 121: trace = 0.0004139722345276518 (0.00365008% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004139689704135286 (0.000788489% change) + iteration 122: trace = 0.0004139689704135331 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. - iteration 123: trace = 0.000413944655586168 (0.00587376% change) + iteration 123: trace = 0.0004139446555861704 (0.00587376% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.000413944237192082 (0.000101075% change) + iteration 124: trace = 0.0004139442371920818 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004139405390532732 (0.000893395% change) + iteration 125: trace = 0.0004139405390532763 (0.000893395% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0004139381541982378 (0.000576136% change) + iteration 126: trace = 0.0004139381541982404 (0.000576136% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004139350539611391 (0.000748964% change) + iteration 127: trace = 0.0004139350539611409 (0.000748964% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) + iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004139328107957841 (0.000511318% change) + iteration 129: trace = 0.0004139328107957864 (0.000511318% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004139318232555446 (0.000238575% change) + iteration 130: trace = 0.0004139318232555436 (0.000238575% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0004139304983430083 (0.00032008% change) + iteration 131: trace = 0.0004139304983430069 (0.00032008% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) + iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0004139290212292437 (0.000339456% change) + iteration 133: trace = 0.000413929021229246 (0.000339456% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) + iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0004139279391458783 (0.000224744% change) + iteration 135: trace = 0.0004139279391458814 (0.000224744% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0004139270056164049 (0.00022553% change) + iteration 136: trace = 0.0004139270056164055 (0.00022553% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0004139264559420514 (0.000132795% change) + iteration 137: trace = 0.0004139264559420506 (0.000132795% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) + iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) + iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) + iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) linmin: converged after 2 iterations. - iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) + iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. - iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) + iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) linmin: converged after 2 iterations. - iteration 143: trace = 0.0004139249894461593 (0.000133906% change) + iteration 143: trace = 0.0004139249894461562 (0.000133906% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) + iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. - iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) + iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) linmin: converged after 2 iterations. - iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) + iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) linmin: converged after 2 iterations. - iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) + iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) linmin: converged after 2 iterations. - iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) + iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. - iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) + iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) linmin: converged after 2 iterations. - iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) + iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) linmin: converged after 2 iterations. - iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) + iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) linmin: converged after 2 iterations. - iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) - large trace change predicted (2.7665e-05%) + iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) + large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. - iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) + iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) + iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) linmin: converged after 2 iterations. - iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) + iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) linmin: converged after 2 iterations. - iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) + iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. - iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) + iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) linmin: converged after 2 iterations. - iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) + iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) linmin: converged after 2 iterations. - iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) + iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 1.8572313785552979 -total elapsed time for run: 1.8716239929199219 +elapsed time for k point: 8.268392324447632 +total elapsed time for run: 8.317556858062744 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67067,7 +67066,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.012998104095458984 +elapsed time for initialization: 0.024448156356811523 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67204,245 +67203,245 @@ iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. - iteration 59: trace = 0.0009893701135198281 (5.48166% change) + iteration 59: trace = 0.0009893701135198292 (5.48166% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0009134884190754318 (7.97555% change) + iteration 60: trace = 0.0009134884190754299 (7.97555% change) linmin: converged after 3 iterations. - iteration 61: trace = 0.0008747574426590745 (4.33173% change) + iteration 61: trace = 0.0008747574426590694 (4.33173% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000858354469847565 (1.89289% change) + iteration 62: trace = 0.000858354469847563 (1.89289% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008424113301520901 (1.87482% change) + iteration 63: trace = 0.0008424113301520909 (1.87482% change) linmin: converged after 3 iterations. - iteration 64: trace = 0.0008152380191264982 (3.27854% change) + iteration 64: trace = 0.0008152380191264975 (3.27854% change) linmin: converged after 3 iterations. - iteration 65: trace = 0.0007878477209784786 (3.4172% change) + iteration 65: trace = 0.0007878477209784779 (3.4172% change) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007745627297707628 (1.70058% change) + iteration 66: trace = 0.0007745627297707618 (1.70058% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007672194415439306 (0.952571% change) + iteration 67: trace = 0.0007672194415439325 (0.952571% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007562123534745159 (1.44504% change) + iteration 68: trace = 0.0007562123534745165 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. - iteration 69: trace = 0.0007292232463818434 (3.63383% change) + iteration 69: trace = 0.0007292232463818413 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.000720171878879658 (1.24899% change) + iteration 70: trace = 0.0007201718788796592 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006820040470914096 (5.44409% change) + iteration 71: trace = 0.0006820040470914168 (5.44409% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006742704060955606 (1.14042% change) + iteration 72: trace = 0.0006742704060955676 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. - iteration 73: trace = 0.0005003027005619296 (29.6223% change) + iteration 73: trace = 0.0005003027005612641 (29.6223% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.000490365838401777 (2.00609% change) + iteration 74: trace = 0.0004903658384017742 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. - iteration 75: trace = 0.0004599272329149868 (6.40615% change) + iteration 75: trace = 0.0004599272329149532 (6.40615% change) linmin: converged after 3 iterations. - iteration 76: trace = 0.0004555356683804556 (0.959419% change) + iteration 76: trace = 0.0004555356683804523 (0.959419% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.00045493958832287 (0.130938% change) + iteration 77: trace = 0.0004549395883227713 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004518602134421153 (0.679174% change) + iteration 78: trace = 0.0004518602134421152 (0.679174% change) linmin: converged after 3 iterations. - iteration 79: trace = 0.0004469389689300242 (1.09507% change) + iteration 79: trace = 0.0004469389689295624 (1.09507% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004430305347445143 (0.87833% change) + iteration 80: trace = 0.0004430305347444902 (0.87833% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0004426074253562628 (0.0955491% change) + iteration 81: trace = 0.000442607425356213 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004365008052143844 (1.38928% change) + iteration 82: trace = 0.0004365008052143807 (1.38928% change) linmin: converged after 2 iterations. - iteration 83: trace = 0.0004357919435503435 (0.162528% change) + iteration 83: trace = 0.0004357919435499626 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. - iteration 84: trace = 0.0004324623297514738 (0.766967% change) + iteration 84: trace = 0.0004324623297514571 (0.766967% change) linmin: converged after 2 iterations. - iteration 85: trace = 0.000432289073001036 (0.0400709% change) + iteration 85: trace = 0.0004322890730010333 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. - iteration 86: trace = 0.0004268775609673482 (1.25971% change) + iteration 86: trace = 0.0004268775609671831 (1.25971% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.000426488620218929 (0.0911545% change) + iteration 87: trace = 0.000426488620218934 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. - iteration 88: trace = 0.0004234535788968569 (0.714176% change) + iteration 88: trace = 0.0004234535788968159 (0.714176% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004232426024739949 (0.0498352% change) + iteration 89: trace = 0.0004232426024739935 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0004217579218241389 (0.351403% change) + iteration 90: trace = 0.0004217579218232346 (0.351403% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0004207658759738874 (0.235494% change) + iteration 91: trace = 0.0004207658759738886 (0.235494% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0004196438065784965 (0.267029% change) + iteration 92: trace = 0.000419643806578354 (0.267029% change) linmin: converged after 4 iterations. - iteration 93: trace = 0.0004186306125287541 (0.241733% change) + iteration 93: trace = 0.0004186306125287615 (0.241733% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0004184953846839999 (0.0323076% change) + iteration 94: trace = 0.0004184953846838694 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. - iteration 95: trace = 0.0004179692102346515 (0.125809% change) + iteration 95: trace = 0.0004179692102346542 (0.125809% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0004174146485235401 (0.132768% change) + iteration 96: trace = 0.0004174146485233506 (0.132768% change) linmin: converged after 4 iterations. - iteration 97: trace = 0.0004169210653863607 (0.118318% change) + iteration 97: trace = 0.0004169210653863518 (0.118318% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0004168953516526212 (0.00616772% change) + iteration 98: trace = 0.000416895351652614 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. - iteration 99: trace = 0.0004160835439875339 (0.194917% change) + iteration 99: trace = 0.0004160835439875391 (0.194917% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0004159547361828121 (0.030962% change) + iteration 100: trace = 0.0004159547361826709 (0.030962% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004157198047668405 (0.056496% change) + iteration 101: trace = 0.0004157198047668428 (0.056496% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0004156861673654086 (0.00809169% change) + iteration 102: trace = 0.0004156861673653842 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. - iteration 103: trace = 0.0004150157701166531 (0.161405% change) + iteration 103: trace = 0.0004150157701166503 (0.161405% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0004149907929756343 (0.00601854% change) + iteration 104: trace = 0.0004149907929756055 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0004147628363877602 (0.0549456% change) + iteration 105: trace = 0.0004147628363877637 (0.0549456% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0004147394189410975 (0.00564614% change) + iteration 106: trace = 0.00041473941894106 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0004145988939496256 (0.0338885% change) + iteration 107: trace = 0.000414598893949622 (0.0338885% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0004145923269926584 (0.00158394% change) + iteration 108: trace = 0.0004145923269926535 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0004144394960417955 (0.0368697% change) + iteration 109: trace = 0.0004144394960417982 (0.0368697% change) linmin: converged after 3 iterations. - iteration 110: trace = 0.0004143662526703303 (0.0176744% change) + iteration 110: trace = 0.0004143662526703229 (0.0176744% change) linmin: converged after 3 iterations. - iteration 111: trace = 0.0004143003725873115 (0.0159003% change) + iteration 111: trace = 0.0004143003725873108 (0.0159003% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004142972990297622 (0.00074187% change) + iteration 112: trace = 0.0004142972990297597 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. - iteration 113: trace = 0.0004141279401301865 (0.0408869% change) + iteration 113: trace = 0.000414127940130185 (0.0408869% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004141257884175344 (0.000519578% change) + iteration 114: trace = 0.0004141257884175342 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. - iteration 115: trace = 0.0004141063987730476 (0.00468218% change) + iteration 115: trace = 0.0004141063987730488 (0.00468218% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004141042374139381 (0.000521935% change) + iteration 116: trace = 0.0004141042374139382 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. - iteration 117: trace = 0.000414029149370798 (0.0181343% change) + iteration 117: trace = 0.0004140291493707971 (0.0181343% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004140277758762922 (0.000331739% change) + iteration 118: trace = 0.0004140277758762924 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004139899444001901 (0.00913784% change) + iteration 119: trace = 0.0004139899444001971 (0.00913784% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004139873451097992 (0.000627865% change) + iteration 120: trace = 0.0004139873451098017 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004139722345276474 (0.00365008% change) + iteration 121: trace = 0.0004139722345276518 (0.00365008% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004139689704135286 (0.000788489% change) + iteration 122: trace = 0.0004139689704135331 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. - iteration 123: trace = 0.000413944655586168 (0.00587376% change) + iteration 123: trace = 0.0004139446555861704 (0.00587376% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.000413944237192082 (0.000101075% change) + iteration 124: trace = 0.0004139442371920818 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004139405390532732 (0.000893395% change) + iteration 125: trace = 0.0004139405390532763 (0.000893395% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0004139381541982378 (0.000576136% change) + iteration 126: trace = 0.0004139381541982404 (0.000576136% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004139350539611391 (0.000748964% change) + iteration 127: trace = 0.0004139350539611409 (0.000748964% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) + iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004139328107957841 (0.000511318% change) + iteration 129: trace = 0.0004139328107957864 (0.000511318% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004139318232555446 (0.000238575% change) + iteration 130: trace = 0.0004139318232555436 (0.000238575% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0004139304983430083 (0.00032008% change) + iteration 131: trace = 0.0004139304983430069 (0.00032008% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) + iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0004139290212292437 (0.000339456% change) + iteration 133: trace = 0.000413929021229246 (0.000339456% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) + iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0004139279391458783 (0.000224744% change) + iteration 135: trace = 0.0004139279391458814 (0.000224744% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0004139270056164049 (0.00022553% change) + iteration 136: trace = 0.0004139270056164055 (0.00022553% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0004139264559420514 (0.000132795% change) + iteration 137: trace = 0.0004139264559420506 (0.000132795% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) + iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) + iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) + iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) linmin: converged after 2 iterations. - iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) + iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. - iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) + iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) linmin: converged after 2 iterations. - iteration 143: trace = 0.0004139249894461593 (0.000133906% change) + iteration 143: trace = 0.0004139249894461562 (0.000133906% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) + iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. - iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) + iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) linmin: converged after 2 iterations. - iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) + iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) linmin: converged after 2 iterations. - iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) + iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) linmin: converged after 2 iterations. - iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) + iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. - iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) + iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) linmin: converged after 2 iterations. - iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) + iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) linmin: converged after 2 iterations. - iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) + iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) linmin: converged after 2 iterations. - iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) - large trace change predicted (2.7665e-05%) + iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) + large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. - iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) + iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) + iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) linmin: converged after 2 iterations. - iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) + iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) linmin: converged after 2 iterations. - iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) + iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. - iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) + iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) linmin: converged after 2 iterations. - iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) + iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) linmin: converged after 2 iterations. - iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) + iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 2.0637335777282715 -total elapsed time for run: 2.0769007205963135 +elapsed time for k point: 4.700574159622192 +total elapsed time for run: 4.725223779678345 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67522,7 +67521,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.026056766510009766 +elapsed time for initialization: 0.047678232192993164 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67967,8 +67966,8 @@ iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 -elapsed time for k point: 3.1079084873199463 -total elapsed time for run: 3.134099245071411 +elapsed time for k point: 7.826050519943237 +total elapsed time for run: 7.873985528945923 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68048,7 +68047,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.029860734939575195 +elapsed time for initialization: 0.03512978553771973 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68381,8 +68380,8 @@ iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 -elapsed time for k point: 2.0286593437194824 -total elapsed time for run: 2.0586583614349365 +elapsed time for k point: 5.67038369178772 +total elapsed time for run: 5.7056756019592285 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68462,309 +68461,309 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013619184494018555 +elapsed time for initialization: 0.03768110275268555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396244070952 (199.998% change) + iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327734802514248 (5.03009% change) + iteration 2: trace = 0.01327734802514242 (5.03009% change) linmin: converged after 6 iterations. - iteration 3: trace = 0.0131293893823858 (1.12061% change) + iteration 3: trace = 0.01312938938238878 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. - iteration 4: trace = 0.01143971570355348 (13.7545% change) + iteration 4: trace = 0.01143971570304361 (13.7545% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01056618625955219 (7.93905% change) + iteration 5: trace = 0.0105661862593834 (7.93905% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01008942352510294 (4.6163% change) + iteration 6: trace = 0.01008942352517646 (4.6163% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009853432413979776 (2.36667% change) + iteration 7: trace = 0.009853432414314828 (2.36667% change) linmin: converged after 9 iterations. - iteration 8: trace = 0.008796447371257093 (11.335% change) + iteration 8: trace = 0.00879644737201061 (11.335% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008458573891971312 (3.91623% change) + iteration 9: trace = 0.008458573892327015 (3.91623% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008228863764865695 (2.75309% change) + iteration 10: trace = 0.008228863765741978 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. - iteration 11: trace = 0.006959104851833582 (16.7206% change) + iteration 11: trace = 0.006959104853007302 (16.7206% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006731675902091234 (3.32237% change) + iteration 12: trace = 0.006731675903006996 (3.32237% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006525014650039604 (3.11784% change) + iteration 13: trace = 0.006525014650750336 (3.11784% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005693152944034019 (13.6168% change) + iteration 14: trace = 0.005693152944302004 (13.6168% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005504795126198728 (3.36415% change) + iteration 15: trace = 0.005504795126336618 (3.36415% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005182224286211165 (6.03668% change) + iteration 16: trace = 0.005182224286438158 (6.03668% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004410551313957203 (16.0886% change) + iteration 17: trace = 0.0044105513144986 (16.0886% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004283910857964777 (2.91313% change) + iteration 18: trace = 0.004283910858601568 (2.91313% change) linmin: converged after 4 iterations. - iteration 19: trace = 0.004224603983516382 (1.39406% change) + iteration 19: trace = 0.004224603984099812 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003556460288217489 (17.1736% change) + iteration 20: trace = 0.003556460288349742 (17.1736% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003124334182198492 (12.9364% change) + iteration 21: trace = 0.003124334182308876 (12.9364% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003069228500164921 (1.77945% change) + iteration 22: trace = 0.003069228500307204 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. - iteration 23: trace = 0.002934336282977529 (4.49374% change) + iteration 23: trace = 0.002934336283155909 (4.49374% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002642331733109301 (10.4724% change) + iteration 24: trace = 0.002642331733349835 (10.4724% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002571579567296367 (2.71398% change) + iteration 25: trace = 0.002571579567560927 (2.71398% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002533478244822608 (1.49269% change) + iteration 26: trace = 0.002533478245051361 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002278678035550776 (10.5899% change) + iteration 27: trace = 0.002278678035451331 (10.5899% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.001883039953470738 (19.0132% change) + iteration 28: trace = 0.001883039953371402 (19.0132% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001791571188514256 (4.97842% change) + iteration 29: trace = 0.001791571188527097 (4.97842% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001767270133717624 (1.36567% change) + iteration 30: trace = 0.001767270133760926 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001692171162079923 (4.34168% change) + iteration 31: trace = 0.00169217116213239 (4.34168% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001555831949295193 (8.39526% change) + iteration 32: trace = 0.001555831949242743 (8.39526% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001511411252322982 (2.89646% change) + iteration 33: trace = 0.001511411252227819 (2.89646% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001486905418586345 (1.63464% change) + iteration 34: trace = 0.001486905418488265 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001387435430383476 (6.92124% change) + iteration 35: trace = 0.001387435430266622 (6.92124% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001194026459233489 (14.9845% change) + iteration 36: trace = 0.001194026458912932 (14.9845% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001122562343185326 (6.16977% change) + iteration 37: trace = 0.001122562342795258 (6.16977% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001099956477416706 (2.03426% change) + iteration 38: trace = 0.001099956477072608 (2.03426% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001059182240507967 (3.7769% change) + iteration 39: trace = 0.00105918224033337 (3.7769% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.0009866837678978412 (7.08731% change) + iteration 40: trace = 0.0009866837678476393 (7.08731% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.0009558629208429826 (3.17324% change) + iteration 41: trace = 0.0009558629207720003 (3.17324% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.0009452267884322843 (1.11895% change) + iteration 42: trace = 0.0009452267883513073 (1.11895% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.0009243211032308202 (2.23644% change) + iteration 43: trace = 0.0009243211031386557 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0008615593031014585 (7.02867% change) + iteration 44: trace = 0.0008615593030195791 (7.02867% change) linmin: converged after 3 iterations. - iteration 45: trace = 0.0008134176826396069 (5.74833% change) + iteration 45: trace = 0.0008134176826142257 (5.74833% change) linmin: converged after 4 iterations. - iteration 46: trace = 0.0007986283255416237 (1.83486% change) + iteration 46: trace = 0.0007986283255294427 (1.83486% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0007852627945719087 (1.68768% change) + iteration 47: trace = 0.0007852627945361737 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0007461125163351396 (5.11309% change) + iteration 48: trace = 0.0007461125162184888 (5.11309% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0006970945357448248 (6.79292% change) + iteration 49: trace = 0.0006970945356581758 (6.79292% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0006808926183553205 (2.35153% change) + iteration 50: trace = 0.000680892618314573 (2.35153% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0006752932687859413 (0.82575% change) + iteration 51: trace = 0.0006752932687554085 (0.82575% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0006660950936463082 (1.37144% change) + iteration 52: trace = 0.0006660950936085674 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0006448656203004086 (3.23877% change) + iteration 53: trace = 0.0006448656202478612 (3.23877% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0006304610544456774 (2.25896% change) + iteration 54: trace = 0.0006304610544060703 (2.25896% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0006258397561783084 (0.735699% change) + iteration 55: trace = 0.0006258397561453801 (0.735699% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0006213724158638193 (0.716372% change) + iteration 56: trace = 0.0006213724158296615 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0006073554439271515 (2.28154% change) + iteration 57: trace = 0.0006073554438713578 (2.28154% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.000584999189852645 (3.74993% change) + iteration 58: trace = 0.0005849991897674963 (3.74993% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0005750384421320456 (1.71731% change) + iteration 59: trace = 0.0005750384420439861 (1.71731% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0005705355312929826 (0.786141% change) + iteration 60: trace = 0.0005705355312084113 (0.786141% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0005627759095208225 (1.36937% change) + iteration 61: trace = 0.000562775909447368 (1.36937% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0005488357745383402 (2.50809% change) + iteration 62: trace = 0.0005488357744973057 (2.50809% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0005415218646077653 (1.34156% change) + iteration 63: trace = 0.0005415218645897253 (1.34156% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0005394069954724528 (0.391306% change) + iteration 64: trace = 0.0005394069954582029 (0.391306% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0005374974140712973 (0.354643% change) + iteration 65: trace = 0.0005374974140522867 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0005318034221285828 (1.06499% change) + iteration 66: trace = 0.0005318034220926464 (1.06499% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0005225513688545946 (1.75502% change) + iteration 67: trace = 0.0005225513688305628 (1.75502% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0005182232127305461 (0.831718% change) + iteration 68: trace = 0.0005182232127259536 (0.831718% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0005162072680208836 (0.389769% change) + iteration 69: trace = 0.0005162072680176623 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0005155092907333682 (0.135304% change) + iteration 70: trace = 0.0005155092907289642 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0005119637368370328 (0.69015% change) + iteration 71: trace = 0.0005119637368328733 (0.69015% change) linmin: converged after 2 iterations. - iteration 72: trace = 0.000511608216276014 (0.0694666% change) + iteration 72: trace = 0.0005116082162739982 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0004980720955581589 (2.68127% change) + iteration 73: trace = 0.0004980720955543454 (2.68127% change) linmin: converged after 2 iterations. - iteration 74: trace = 0.0004962593830389853 (0.364609% change) + iteration 74: trace = 0.0004962593830382443 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0004755685305169946 (4.25813% change) + iteration 75: trace = 0.0004755685305139867 (4.25813% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0004613074630958849 (3.04439% change) + iteration 76: trace = 0.0004613074630933708 (3.04439% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.0004610867968616982 (0.0478464% change) + iteration 77: trace = 0.0004610867968600356 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004601018611165299 (0.21384% change) + iteration 78: trace = 0.0004601018611141185 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0004555175354524354 (1.00136% change) + iteration 79: trace = 0.000455517535446558 (1.00136% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004514547054383692 (0.895911% change) + iteration 80: trace = 0.0004514547054348013 (0.895911% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0004512636246070159 (0.0423345% change) + iteration 81: trace = 0.0004512636246026654 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004503349945087943 (0.205996% change) + iteration 82: trace = 0.0004503349945079216 (0.205996% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0004501374789180884 (0.0438693% change) + iteration 83: trace = 0.0004501374789161126 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0004476360710491528 (0.557247% change) + iteration 84: trace = 0.0004476360710489421 (0.557247% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0004475864327812387 (0.0110896% change) + iteration 85: trace = 0.0004475864327809164 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0004470257239678319 (0.125352% change) + iteration 86: trace = 0.0004470257239679656 (0.125352% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.0004469825667574598 (0.00965477% change) + iteration 87: trace = 0.000446982566757198 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. - iteration 88: trace = 0.0004464661248477418 (0.115606% change) + iteration 88: trace = 0.0004464661248476459 (0.115606% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004464504551906056 (0.00350977% change) + iteration 89: trace = 0.0004464504551904783 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0004456538746356611 (0.178585% change) + iteration 90: trace = 0.000445653874635074 (0.178585% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0004456257171318294 (0.00631844% change) + iteration 91: trace = 0.0004456257171310337 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. - iteration 92: trace = 0.0004452924589956872 (0.0748123% change) + iteration 92: trace = 0.0004452924589946991 (0.0748123% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0004452687856061341 (0.00531651% change) + iteration 93: trace = 0.0004452687856051591 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0004447657260542244 (0.113043% change) + iteration 94: trace = 0.0004447657260541854 (0.113043% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0004447267673611256 (0.00875976% change) + iteration 95: trace = 0.0004447267673626513 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0004442556986457235 (0.105979% change) + iteration 96: trace = 0.0004442556986459031 (0.105979% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0004442455806051777 (0.00227755% change) + iteration 97: trace = 0.0004442455806050875 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. - iteration 98: trace = 0.0004438810888303385 (0.082081% change) + iteration 98: trace = 0.0004438810888302759 (0.082081% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0004438500905857432 (0.0069837% change) + iteration 99: trace = 0.0004438500905870567 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. - iteration 100: trace = 0.0004437432255006679 (0.0240797% change) + iteration 100: trace = 0.000443743225500739 (0.0240797% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004437391651983482 (0.000915016% change) + iteration 101: trace = 0.0004437391651983485 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. - iteration 102: trace = 0.000443656704665559 (0.0185848% change) + iteration 102: trace = 0.0004436567046655403 (0.0185848% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0004436180975620899 (0.0087024% change) + iteration 103: trace = 0.0004436180975635375 (0.0087024% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.000443596595424909 (0.00484711% change) + iteration 104: trace = 0.000443596595424942 (0.00484711% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0004435901010882656 (0.00146403% change) + iteration 105: trace = 0.0004435901010888418 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0004435266121585284 (0.0143135% change) + iteration 106: trace = 0.000443526612158538 (0.0143135% change) linmin: converged after 3 iterations. - iteration 107: trace = 0.0004434983515570951 (0.006372% change) + iteration 107: trace = 0.0004434983515584871 (0.006372% change) linmin: converged after 3 iterations. - iteration 108: trace = 0.0004434761005167245 (0.00501729% change) + iteration 108: trace = 0.00044347610051672 (0.00501729% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.0004434714731012338 (0.00104345% change) + iteration 109: trace = 0.0004434714731017632 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0004434385151230344 (0.00743209% change) + iteration 110: trace = 0.0004434385151230384 (0.00743209% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0004434252055763201 (0.00300149% change) + iteration 111: trace = 0.0004434252055768146 (0.00300149% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004434206868132256 (0.00101906% change) + iteration 112: trace = 0.0004434206868132168 (0.00101906% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0004434136924350159 (0.00157738% change) + iteration 113: trace = 0.0004434136924359412 (0.00157738% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004434078981872072 (0.00130674% change) + iteration 114: trace = 0.0004434078981872004 (0.00130675% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0004434060803079899 (0.00040998% change) + iteration 115: trace = 0.0004434060803082016 (0.00040998% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004434035864054671 (0.000562444% change) + iteration 116: trace = 0.0004434035864054641 (0.000562444% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0004433997721778282 (0.000860219% change) + iteration 117: trace = 0.0004433997721779338 (0.000860219% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change) + iteration 118: trace = 0.0004433993922834479 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004433959989790834 (0.000765296% change) + iteration 119: trace = 0.0004433959989794154 (0.000765296% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004433937107530678 (0.00051607% change) + iteration 120: trace = 0.0004433937107530648 (0.00051607% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004433925552247387 (0.00026061% change) + iteration 121: trace = 0.0004433925552247438 (0.00026061% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change) + iteration 122: trace = 0.0004433924380077825 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0004433895351566106 (0.000654693% change) + iteration 123: trace = 0.0004433895351568387 (0.000654693% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0004433889271465956 (0.000137128% change) + iteration 124: trace = 0.0004433889271465965 (0.000137128% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004433880632293131 (0.000194844% change) + iteration 125: trace = 0.0004433880632293187 (0.000194844% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change) + iteration 126: trace = 0.000443388031228047 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change) + iteration 127: trace = 0.0004433876268651143 (9.11985e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change) + iteration 128: trace = 0.0004433874490725925 (4.00987e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change) + iteration 129: trace = 0.0004433873033573263 (3.28641e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004433872992476687 (9.26878e-07% change) + iteration 130: trace = 0.0004433872992476704 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 -elapsed time for k point: 1.7970466613769531 -total elapsed time for run: 1.8108036518096924 +elapsed time for k point: 4.214576005935669 +total elapsed time for run: 4.252428293228149 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68844,7 +68843,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.031500816345214844 +elapsed time for initialization: 0.024069786071777344 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68854,333 +68853,333 @@ linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313921802708361 (1.0343% change) + iteration 3: trace = 0.01313921802708362 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142281205553266 (13.9761% change) + iteration 4: trace = 0.01142281205553351 (13.9761% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01058525607493082 (7.61135% change) + iteration 5: trace = 0.01058525607493297 (7.61135% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01015898370443547 (4.10979% change) + iteration 6: trace = 0.0101589837044347 (4.10979% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009918237309330053 (2.3982% change) + iteration 7: trace = 0.009918237309329864 (2.3982% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008927971077283768 (10.5089% change) + iteration 8: trace = 0.00892797107728269 (10.5089% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008614717280225186 (3.57133% change) + iteration 9: trace = 0.008614717280223476 (3.57133% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008466233313486501 (1.73859% change) + iteration 10: trace = 0.008466233313485243 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007282511329332547 (15.0326% change) + iteration 11: trace = 0.007282511329325394 (15.0326% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.007044999189450767 (3.31547% change) + iteration 12: trace = 0.007044999189471032 (3.31547% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006874592947690497 (2.44844% change) + iteration 13: trace = 0.006874592947715286 (2.44844% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.006133148163447735 (11.4001% change) + iteration 14: trace = 0.006133148163368856 (11.4001% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005961549769472903 (2.83758% change) + iteration 15: trace = 0.005961549769357523 (2.83758% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005645565245604592 (5.44467% change) + iteration 16: trace = 0.005645565245526819 (5.44467% change) linmin: converged after 5 iterations. - iteration 17: trace = 0.004830936611878811 (15.5515% change) + iteration 17: trace = 0.004830936611883179 (15.5515% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004686994044893297 (3.02466% change) + iteration 18: trace = 0.004686994044926179 (3.02466% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004633898350157841 (1.13928% change) + iteration 19: trace = 0.004633898350181182 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003985702634746582 (15.04% change) + iteration 20: trace = 0.003985702634698927 (15.04% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003535474708253777 (11.9723% change) + iteration 21: trace = 0.003535474708241069 (11.9723% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003476369469704832 (1.68587% change) + iteration 22: trace = 0.003476369469699929 (1.68587% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003338185922505572 (4.05554% change) + iteration 23: trace = 0.00333818592248314 (4.05554% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.003040239886136103 (9.34231% change) + iteration 24: trace = 0.003040239886137003 (9.34231% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002968314177918705 (2.39411% change) + iteration 25: trace = 0.002968314177935729 (2.39411% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002929179324685609 (1.32717% change) + iteration 26: trace = 0.002929179324696153 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002665163221273504 (9.43868% change) + iteration 27: trace = 0.002665163221220175 (9.43868% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002263716107366163 (16.2896% change) + iteration 28: trace = 0.002263716107325872 (16.2896% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.002168934509122882 (4.27652% change) + iteration 29: trace = 0.00216893450910269 (4.27652% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.002140776398965061 (1.30673% change) + iteration 30: trace = 0.002140776398946851 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. - iteration 31: trace = 0.002054832936099284 (4.09683% change) + iteration 31: trace = 0.002054832936078479 (4.09683% change) linmin: converged after 4 iterations. - iteration 32: trace = 0.001928675147047012 (6.334% change) + iteration 32: trace = 0.001928675147038835 (6.334% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001891060683030569 (1.96948% change) + iteration 33: trace = 0.001891060683027584 (1.96948% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001863419993311022 (1.47241% change) + iteration 34: trace = 0.001863419993304216 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. - iteration 35: trace = 0.001742904242548188 (6.68358% change) + iteration 35: trace = 0.001742904242518234 (6.68358% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001553603641508177 (11.4849% change) + iteration 36: trace = 0.001553603641478992 (11.4849% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001490518358344507 (4.14473% change) + iteration 37: trace = 0.001490518358322988 (4.14473% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001465056863323182 (1.72295% change) + iteration 38: trace = 0.001465056863302722 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. - iteration 39: trace = 0.001409511515989721 (3.8646% change) + iteration 39: trace = 0.001409511515969067 (3.8646% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001324643606828225 (6.20798% change) + iteration 40: trace = 0.001324643606815046 (6.20798% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001293109867285795 (2.40922% change) + iteration 41: trace = 0.001293109867277146 (2.40922% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001281892836859725 (0.871225% change) + iteration 42: trace = 0.001281892836851446 (0.871225% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001258915302646228 (1.80868% change) + iteration 43: trace = 0.001258915302635903 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001191045275704825 (5.5405% change) + iteration 44: trace = 0.001191045275692942 (5.5405% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.001138499727051532 (4.51123% change) + iteration 45: trace = 0.001138499727044202 (4.51123% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.00112217005827625 (1.44468% change) + iteration 46: trace = 0.001122170058270399 (1.44468% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.00110859569902975 (1.21701% change) + iteration 47: trace = 0.001108595699023488 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. - iteration 48: trace = 0.001069901372108893 (3.55239% change) + iteration 48: trace = 0.00106990137210023 (3.55239% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.001014621259085611 (5.30386% change) + iteration 49: trace = 0.001014621259077012 (5.30386% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0009931819911355253 (2.13559% change) + iteration 50: trace = 0.0009931819911279671 (2.13559% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0009855932451903935 (0.767014% change) + iteration 51: trace = 0.0009855932451830235 (0.767014% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0009747198763121587 (1.10935% change) + iteration 52: trace = 0.000974719876304833 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0009518762290240061 (2.3714% change) + iteration 53: trace = 0.0009518762290181694 (2.3714% change) linmin: converged after 3 iterations. - iteration 54: trace = 0.0009362068768647573 (1.65982% change) + iteration 54: trace = 0.0009362068768610649 (1.65982% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.000930962073371916 (0.561792% change) + iteration 55: trace = 0.0009309620733688387 (0.561792% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0009261399277477792 (0.519319% change) + iteration 56: trace = 0.0009261399277447124 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0009114740520585527 (1.59619% change) + iteration 57: trace = 0.0009114740520546793 (1.59619% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0008851577234266234 (2.92952% change) + iteration 58: trace = 0.0008851577234215649 (2.92952% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.000871693071466451 (1.53282% change) + iteration 59: trace = 0.000871693071461078 (1.53282% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0008661342145308695 (0.639748% change) + iteration 60: trace = 0.0008661342145254756 (0.639748% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0008582710080001816 (0.911991% change) + iteration 61: trace = 0.0008582710079949929 (0.911991% change) linmin: converged after 3 iterations. - iteration 62: trace = 0.0008422283020192667 (1.88682% change) + iteration 62: trace = 0.00084222830201513 (1.88682% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008310961553908193 (1.33054% change) + iteration 63: trace = 0.0008310961553877375 (1.33054% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0008278256094771208 (0.394298% change) + iteration 64: trace = 0.0008278256094743229 (0.394298% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0008259581513437934 (0.225841% change) + iteration 65: trace = 0.0008259581513410663 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0008214375661539716 (0.548816% change) + iteration 66: trace = 0.0008214375661512261 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0008104570891788135 (1.34573% change) + iteration 67: trace = 0.0008104570891759209 (1.34573% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0008022185029169372 (1.02173% change) + iteration 68: trace = 0.0008022185029139933 (1.02173% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0007990641591574285 (0.393977% change) + iteration 69: trace = 0.0007990641591545313 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0007982674272537656 (0.0997579% change) + iteration 70: trace = 0.000798267427250896 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. - iteration 71: trace = 0.000794190965401303 (0.511971% change) + iteration 71: trace = 0.0007941909653984683 (0.511971% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0007934194265299957 (0.097195% change) + iteration 72: trace = 0.0007934194265270598 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0007771906069306927 (2.06656% change) + iteration 73: trace = 0.0007771906069316093 (2.06656% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0007749505868584082 (0.288636% change) + iteration 74: trace = 0.0007749505868597712 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0007492994743112499 (3.36574% change) + iteration 75: trace = 0.0007492994743128429 (3.36574% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0007303048045869264 (2.56753% change) + iteration 76: trace = 0.0007303048045879829 (2.56753% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0007296260899939187 (0.092979% change) + iteration 77: trace = 0.0007296260899938505 (0.092979% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.000728644102354961 (0.134678% change) + iteration 78: trace = 0.0007286441023556302 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0007245873406317841 (0.558309% change) + iteration 79: trace = 0.0007245873406325023 (0.558309% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.000718077187500906 (0.902518% change) + iteration 80: trace = 0.0007180771875012872 (0.902518% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0007177753846879655 (0.0420381% change) + iteration 81: trace = 0.0007177753846878525 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0007161515296068739 (0.226491% change) + iteration 82: trace = 0.0007161515296069531 (0.226491% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0007160330404422598 (0.0165466% change) + iteration 83: trace = 0.0007160330404420501 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0007127367071703376 (0.461423% change) + iteration 84: trace = 0.0007127367071705165 (0.461423% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.000712662076958642 (0.0104715% change) + iteration 85: trace = 0.0007126620769586315 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0007114852716358145 (0.165265% change) + iteration 86: trace = 0.0007114852716353512 (0.165265% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.0007114282832196567 (0.0080101% change) + iteration 87: trace = 0.0007114282832188135 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. - iteration 88: trace = 0.000710752335649579 (0.0950579% change) + iteration 88: trace = 0.0007107523356494787 (0.0950579% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0007107286747960747 (0.00332904% change) + iteration 89: trace = 0.0007107286747959787 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0007092078344343849 (0.214212% change) + iteration 90: trace = 0.0007092078344343416 (0.214212% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0007089701515805088 (0.0335195% change) + iteration 91: trace = 0.0007089701515770342 (0.0335195% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0007085829024921158 (0.0546363% change) + iteration 92: trace = 0.0007085829024920111 (0.0546363% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0007085381993797611 (0.006309% change) + iteration 93: trace = 0.0007085381993791572 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. - iteration 94: trace = 0.0007078806538428688 (0.0928462% change) + iteration 94: trace = 0.0007078806538428434 (0.0928462% change) linmin: converged after 4 iterations. - iteration 95: trace = 0.0007072074075466887 (0.0951526% change) + iteration 95: trace = 0.0007072074075475011 (0.0951526% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0007068181437309847 (0.0550575% change) + iteration 96: trace = 0.0007068181437308895 (0.0550575% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0007067093274637296 (0.0153964% change) + iteration 97: trace = 0.0007067093274571758 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. - iteration 98: trace = 0.0007063118363022342 (0.0562612% change) + iteration 98: trace = 0.0007063118363022213 (0.0562612% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.000706140318493618 (0.0242865% change) + iteration 99: trace = 0.0007061403184934812 (0.0242865% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.000706095099610728 (0.00640387% change) + iteration 100: trace = 0.0007060950996107473 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0007059060330946713 (0.0267799% change) + iteration 101: trace = 0.0007059060330952891 (0.0267799% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0007058881454630741 (0.00253403% change) + iteration 102: trace = 0.0007058881454630703 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. - iteration 103: trace = 0.0007057919581192479 (0.0136274% change) + iteration 103: trace = 0.000705791958119235 (0.0136274% change) linmin: converged after 3 iterations. - iteration 104: trace = 0.0007057842514747325 (0.00109192% change) + iteration 104: trace = 0.0007057842514746187 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0007056529475522372 (0.0186057% change) + iteration 105: trace = 0.0007056529475522983 (0.0186057% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.000705648336961321 (0.000653382% change) + iteration 106: trace = 0.0007056483369617469 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0007055439182104818 (0.0147987% change) + iteration 107: trace = 0.0007055439182104608 (0.0147987% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0007055329035974612 (0.00156116% change) + iteration 108: trace = 0.0007055329035967619 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. - iteration 109: trace = 0.0007054546515591156 (0.0110918% change) + iteration 109: trace = 0.0007054546515591708 (0.0110918% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0007054502743522219 (0.000620482% change) + iteration 110: trace = 0.000705450274352933 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0007054364838128185 (0.00195488% change) + iteration 111: trace = 0.0007054364838128093 (0.00195488% change) linmin: converged after 3 iterations. - iteration 112: trace = 0.0007054238644731049 (0.00178889% change) + iteration 112: trace = 0.0007054238644720394 (0.00178889% change) linmin: converged after 3 iterations. - iteration 113: trace = 0.0007054118291849887 (0.00170612% change) + iteration 113: trace = 0.0007054118291849954 (0.00170612% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0007054065895959976 (0.000742773% change) + iteration 114: trace = 0.0007054065895967991 (0.000742773% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0007054022952447704 (0.000608779% change) + iteration 115: trace = 0.000705402295244772 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0007053927001434995 (0.00136024% change) + iteration 116: trace = 0.0007053927001434934 (0.00136024% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0007053920786220366 (8.811e-05% change) + iteration 117: trace = 0.0007053920786220416 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. - iteration 118: trace = 0.000705380435396726 (0.00165062% change) + iteration 118: trace = 0.0007053804353968566 (0.00165062% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change) + iteration 119: trace = 0.0007053797879385811 (9.17886e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. - iteration 120: trace = 0.0007053750082369695 (0.000677609% change) + iteration 120: trace = 0.0007053750082369959 (0.000677609% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0007053742080981112 (0.000113435% change) + iteration 121: trace = 0.000705374208098857 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. - iteration 122: trace = 0.0007053691586075282 (0.000715862% change) + iteration 122: trace = 0.0007053691586075307 (0.000715862% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change) + iteration 123: trace = 0.0007053690877136454 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0007053666990218474 (0.000338645% change) + iteration 124: trace = 0.0007053666990218499 (0.000338645% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change) + iteration 125: trace = 0.0007053665919396272 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. - iteration 126: trace = 0.000705365103599717 (0.000211003% change) + iteration 126: trace = 0.0007053651035997163 (0.000211003% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.000705365060349489 (6.13161e-06% change) + iteration 127: trace = 0.0007053650603494894 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change) + iteration 128: trace = 0.0007053647958367643 (3.75001e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change) + iteration 129: trace = 0.0007053645526031884 (3.44834e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change) + iteration 130: trace = 0.0007053644026624995 (2.12572e-05% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change) + iteration 131: trace = 0.0007053642119763969 (2.70337e-05% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change) + iteration 132: trace = 0.0007053641295694905 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change) + iteration 133: trace = 0.0007053638844030214 (3.47574e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change) + iteration 134: trace = 0.000705363876868119 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change) + iteration 135: trace = 0.0007053634213077374 (6.45852e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change) + iteration 136: trace = 0.0007053633820806043 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change) + iteration 137: trace = 0.0007053632283731598 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change) + iteration 139: trace = 0.0007053631037760407 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change) + iteration 140: trace = 0.0007053630961879911 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. - iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change) + iteration 141: trace = 0.000705363036599132 (8.44797e-06% change) linmin: converged after 2 iterations. - iteration 142: trace = 0.000705363032831463 (5.34146e-07% change) + iteration 142: trace = 0.0007053630328314592 (5.34147e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 -elapsed time for k point: 1.6782987117767334 -total elapsed time for run: 1.7099530696868896 +elapsed time for k point: 3.410320520401001 +total elapsed time for run: 3.4345881938934326 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69260,7 +69259,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.014412164688110352 +elapsed time for initialization: 0.021042585372924805 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69268,305 +69267,325 @@ linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684595598249 (5.03584% change) + iteration 2: trace = 0.01327684595598253 (5.03584% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313324005125724 (1.08751% change) + iteration 3: trace = 0.01313324005126112 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143110159436247 (13.8586% change) + iteration 4: trace = 0.01143110159363475 (13.8586% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057166476739567 (7.81208% change) + iteration 5: trace = 0.01057166476712294 (7.81208% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011480006982954 (4.41704% change) + iteration 6: trace = 0.01011480006992648 (4.41704% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876896506772561 (2.38002% change) + iteration 7: trace = 0.009876896507187892 (2.38002% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008845869821944279 (11.0136% change) + iteration 8: trace = 0.008845869822923064 (11.0136% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008516806986723392 (3.79046% change) + iteration 9: trace = 0.008516806987200545 (3.79046% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008325902736362793 (2.26691% change) + iteration 10: trace = 0.008325902737333319 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074435668898778 (16.2525% change) + iteration 11: trace = 0.007074435670628136 (16.2525% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006841983819601372 (3.34068% change) + iteration 12: trace = 0.006841983820928351 (3.34068% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006643948102592079 (2.93692% change) + iteration 13: trace = 0.006643948104078183 (2.93692% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.00586514291060854 (12.4518% change) + iteration 14: trace = 0.005865142910627932 (12.4518% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690265827790274 (3.02676% change) + iteration 15: trace = 0.005690265827323177 (3.02676% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005358817859069506 (5.99956% change) + iteration 16: trace = 0.005358817859046534 (5.99956% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004559992560398251 (16.1073% change) + iteration 17: trace = 0.004559992561182125 (16.1073% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004422633266784209 (3.05833% change) + iteration 18: trace = 0.004422633267909758 (3.05833% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004367501597863202 (1.2544% change) + iteration 19: trace = 0.004367501598838224 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725260304068634 (15.872% change) + iteration 20: trace = 0.003725260303643653 (15.872% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003275912354748756 (12.8364% change) + iteration 21: trace = 0.003275912354827932 (12.8364% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217291914038384 (1.80559% change) + iteration 22: trace = 0.00321729191426386 (1.80559% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.00308932284200158 (4.05825% change) + iteration 23: trace = 0.003089322841901015 (4.05825% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002788506789923117 (10.2356% change) + iteration 24: trace = 0.002788506790121337 (10.2356% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710327275611987 (2.84349% change) + iteration 25: trace = 0.002710327276137733 (2.84349% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002673641017994111 (1.3628% change) + iteration 26: trace = 0.002673641018410782 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. - iteration 27: trace = 0.00243839982068261 (9.20342% change) + iteration 27: trace = 0.002438399819800866 (9.20342% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002033628118501227 (18.1024% change) + iteration 28: trace = 0.002033628117893882 (18.1024% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001932625575621425 (5.0931% change) + iteration 29: trace = 0.001932625575540724 (5.0931% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.00190744712172359 (1.31135% change) + iteration 30: trace = 0.001907447121682367 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834380521982554 (3.9054% change) + iteration 31: trace = 0.001834380521748458 (3.9054% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001693627002882612 (7.97921% change) + iteration 32: trace = 0.001693627002757739 (7.97921% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001645862013250786 (2.86062% change) + iteration 33: trace = 0.001645862013277153 (2.86062% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.00162157241635545 (1.48677% change) + iteration 34: trace = 0.001621572416332617 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001526837305204811 (6.01797% change) + iteration 35: trace = 0.001526837304743273 (6.01797% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331181622609916 (13.6917% change) + iteration 36: trace = 0.001331181622065788 (13.6917% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255055950679983 (5.88698% change) + iteration 37: trace = 0.001255055950375255 (5.88698% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001231638631723321 (1.88341% change) + iteration 38: trace = 0.001231638631463513 (1.88341% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191185578855174 (3.33933% change) + iteration 39: trace = 0.001191185578571564 (3.33933% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001115731224371966 (6.54158% change) + iteration 40: trace = 0.001115731224187569 (6.54158% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001081930559096441 (3.07606% change) + iteration 41: trace = 0.001081930559026527 (3.07606% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001070713334915742 (1.04218% change) + iteration 42: trace = 0.001070713334854979 (1.04218% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050332277760946 (1.92179% change) + iteration 43: trace = 0.001050332277628762 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009871633724335882 (6.20064% change) + iteration 44: trace = 0.000987163372203733 (6.20064% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009348499847442413 (5.4436% change) + iteration 45: trace = 0.0009348499846542396 (5.4436% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009186091629092011 (1.75249% change) + iteration 46: trace = 0.0009186091628691179 (1.75249% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009053624950684855 (1.45251% change) + iteration 47: trace = 0.0009053624949987563 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008674888832388871 (4.27262% change) + iteration 48: trace = 0.0008674888830445566 (4.27262% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008159178081785649 (6.12699% change) + iteration 49: trace = 0.0008159178080335557 (6.12699% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007976349714469041 (2.26616% change) + iteration 50: trace = 0.0007976349713781021 (2.26616% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007916172098281029 (0.757307% change) + iteration 51: trace = 0.000791617209769586 (0.757307% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007826476375286576 (1.13953% change) + iteration 52: trace = 0.000782647637445911 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007610683320960094 (2.79576% change) + iteration 53: trace = 0.0007610683319941925 (2.79576% change) linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 98.536%) - iteration 54: trace = 0.0007448033462970293 (2.16021% change) - iteration 55: trace = 0.0007395076947308179 (0.71355% change) - iteration 56: trace = 0.0007352820756651053 (0.573047% change) - iteration 57: trace = 0.0007215688620192971 (1.88258% change) - iteration 58: trace = 0.0006995830451890325 (3.09408% change) - iteration 59: trace = 0.0006907662411073694 (1.26829% change) - iteration 60: trace = 0.0006862752011588193 (0.652274% change) - iteration 61: trace = 0.0006775510008826386 (1.27937% change) - iteration 62: trace = 0.000661937396636334 (2.33128% change) - iteration 63: trace = 0.0006535129760739318 (1.28084% change) - iteration 64: trace = 0.0006506347976208965 (0.441388% change) - iteration 65: trace = 0.0006481076264471567 (0.389172% change) - iteration 66: trace = 0.0006421990570322826 (0.91584% change) - iteration 67: trace = 0.0006321774802661257 (1.57278% change) - iteration 68: trace = 0.0006259750952155139 (0.985951% change) - iteration 69: trace = 0.000623278889516347 (0.431651% change) - resetting CG direction... - iteration 70: trace = 0.0006226215687630837 (0.105517% change) - iteration 71: trace = 0.0006191602417820845 (0.557477% change) - iteration 72: trace = 0.0006126512370827651 (1.05682% change) - iteration 73: trace = 0.0005989205384044014 (2.26659% change) - iteration 74: trace = 0.0005847456995950592 (2.39507% change) - iteration 75: trace = 0.0005752830324279322 (1.63145% change) - iteration 76: trace = 0.0005678845305126278 (1.29439% change) - iteration 77: trace = 0.0005628285912797225 (0.894292% change) - iteration 78: trace = 0.0005626555392125205 (0.0307516% change) - switching back to exact line minimization - large trace change predicted (1.22609%) + iteration 54: trace = 0.0007448033462511633 (2.16021% change) + linmin: converged after 4 iterations. + iteration 55: trace = 0.0007395059081910645 (0.713792% change) + linmin: converged after 4 iterations. + iteration 56: trace = 0.000734989723014633 (0.612574% change) + large trace change predicted (1.82366%) + linmin: converged after 4 iterations. + iteration 57: trace = 0.0007213725308981069 (1.87003% change) + linmin: converged after 3 iterations. + iteration 58: trace = 0.0006974056183843871 (3.37853% change) + linmin: converged after 4 iterations. + iteration 59: trace = 0.0006857685871166295 (1.68266% change) + linmin: converged after 4 iterations. + iteration 60: trace = 0.0006809629613303769 (0.703229% change) + linmin: converged after 4 iterations. + iteration 61: trace = 0.0006737065008076734 (1.07133% change) + linmin: converged after 4 iterations. + iteration 62: trace = 0.0006595597907065947 (2.12211% change) + linmin: converged after 4 iterations. + iteration 63: trace = 0.0006509089490059122 (1.32027% change) + linmin: converged after 4 iterations. + iteration 64: trace = 0.0006483901390092811 (0.387718% change) + linmin: converged after 4 iterations. + iteration 65: trace = 0.0006465124061345836 (0.290019% change) + large trace change predicted (0.811341%) + linmin: converged after 4 iterations. + iteration 66: trace = 0.0006412331173909334 (0.819927% change) + linmin: converged after 4 iterations. + iteration 67: trace = 0.0006311167036627953 (1.59019% change) + linmin: converged after 4 iterations. + iteration 68: trace = 0.0006255870591604881 (0.880024% change) + linmin: converged after 4 iterations. + iteration 69: trace = 0.0006232810581683197 (0.369295% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 79: trace = 0.0005557706651917763 (1.23117% change) + iteration 70: trace = 0.0006225571732045051 (0.116209% change) + large trace change predicted (0.609983%) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005555986602208504 (0.0309537% change) - large trace change predicted (0.468883%) + iteration 71: trace = 0.0006187620007070495 (0.611474% change) + large trace change predicted (1.73973%) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005530043842738982 (0.468026% change) + iteration 72: trace = 0.0006080141759784033 (1.75221% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005527536657756488 (0.0453478% change) - large trace change predicted (0.2609%) + iteration 73: trace = 0.0006035622678304225 (0.734895% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005513180200984618 (0.260064% change) + iteration 74: trace = 0.0005956759415962494 (1.31522% change) + large trace change predicted (2.85632%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005512439133230123 (0.0134427% change) - large trace change predicted (0.413105%) + iteration 75: trace = 0.0005786878970640165 (2.89315% change) + linmin: converged after 4 iterations. + iteration 76: trace = 0.0005632744308316242 (2.69947% change) + linmin: converged after 2 iterations. + iteration 77: trace = 0.0005628726027648138 (0.0713633% change) + large trace change predicted (0.145053%) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005489914337672051 (0.409454% change) + iteration 78: trace = 0.0005620566909256537 (0.14506% change) + large trace change predicted (0.920718%) linmin: converged after 3 iterations. - iteration 86: trace = 0.000548404744542217 (0.106924% change) + iteration 79: trace = 0.0005569012686996278 (0.921468% change) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005477860193878605 (0.112886% change) + iteration 80: trace = 0.0005530168479597191 (0.699947% change) linmin: converged after 3 iterations. - iteration 88: trace = 0.0005477247137427831 (0.0111922% change) - large trace change predicted (0.107168%) - linmin: converged after 4 iterations. - iteration 89: trace = 0.0005471366202782986 (0.107428% change) + iteration 81: trace = 0.0005523447937986331 (0.121599% change) + linmin: converged after 3 iterations. + iteration 82: trace = 0.0005519201577228758 (0.0769084% change) + linmin: converged after 3 iterations. + iteration 83: trace = 0.0005511154675307357 (0.145905% change) + large trace change predicted (0.454137%) + linmin: converged after 3 iterations. + iteration 84: trace = 0.0005486399805369761 (0.450189% change) + linmin: converged after 3 iterations. + iteration 85: trace = 0.0005483001043197841 (0.0619681% change) + linmin: converged after 3 iterations. + iteration 86: trace = 0.0005481437586088394 (0.0285187% change) + large trace change predicted (0.103654%) + linmin: converged after 3 iterations. + iteration 87: trace = 0.000547576267321679 (0.103583% change) + linmin: converged after 2 iterations. + iteration 88: trace = 0.0005471173775082813 (0.0838389% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005469147207541458 (0.0405647% change) + iteration 89: trace = 0.0005469543549641757 (0.0298011% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0005466761418329422 (0.0436322% change) - large trace change predicted (0.104467%) + iteration 90: trace = 0.0005468753842767918 (0.0144393% change) + large trace change predicted (0.179336%) linmin: converged after 4 iterations. - iteration 92: trace = 0.0005461037789638006 (0.104754% change) + iteration 91: trace = 0.0005458908535778842 (0.180191% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005458259168297896 (0.0508938% change) + iteration 92: trace = 0.0005457402125965552 (0.0275992% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.000545651339146641 (0.0319892% change) - linmin: converged after 3 iterations. - iteration 95: trace = 0.0005455448307391693 (0.0195214% change) - large trace change predicted (0.126201%) + iteration 93: trace = 0.0005454536841269865 (0.0525165% change) + linmin: converged after 2 iterations. + iteration 94: trace = 0.0005453725909077288 (0.0148682% change) + large trace change predicted (0.0882481%) linmin: converged after 3 iterations. - iteration 96: trace = 0.0005448569642546447 (0.126168% change) + iteration 95: trace = 0.0005448913918826236 (0.088272% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005447722760054545 (0.0155444% change) - large trace change predicted (0.083036%) - linmin: converged after 4 iterations. - iteration 98: trace = 0.0005443194993251672 (0.0831476% change) + iteration 96: trace = 0.0005447734720807123 (0.0216433% change) + large trace change predicted (0.0981658%) linmin: converged after 2 iterations. - iteration 99: trace = 0.0005443050222957469 (0.00265969% change) - large trace change predicted (0.0595276%) - linmin: converged after 4 iterations. - iteration 100: trace = 0.0005439800093051602 (0.0597294% change) + iteration 97: trace = 0.0005442386144210216 (0.098228% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005439529857108651 (0.00496788% change) - large trace change predicted (0.0541096%) + iteration 98: trace = 0.0005442276851013754 (0.00200821% change) + large trace change predicted (0.082279%) linmin: converged after 3 iterations. - iteration 102: trace = 0.000543657633751566 (0.0543121% change) + iteration 99: trace = 0.0005437776922384293 (0.0827189% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005436505135158503 (0.0013097% change) - large trace change predicted (0.0142613%) + iteration 100: trace = 0.0005437640368084018 (0.00251125% change) + large trace change predicted (0.0242661%) linmin: converged after 2 iterations. - iteration 104: trace = 0.000543572946093896 (0.0142689% change) + iteration 101: trace = 0.000543631878746202 (0.0243073% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0005435662850020111 (0.00122543% change) - large trace change predicted (0.0223306%) - linmin: converged after 3 iterations. - iteration 106: trace = 0.0005434449260754796 (0.0223289% change) + iteration 102: trace = 0.0005436266544387058 (0.000961006% change) + large trace change predicted (0.0202723%) linmin: converged after 2 iterations. - iteration 107: trace = 0.0005434406976463318 (0.000778082% change) - large trace change predicted (0.0101686%) - linmin: converged after 3 iterations. - iteration 108: trace = 0.0005433854614796105 (0.0101647% change) - linmin: converged after 3 iterations. - iteration 109: trace = 0.0005433630209173898 (0.00412985% change) + iteration 103: trace = 0.000543516378075383 (0.0202874% change) + linmin: converged after 2 iterations. + iteration 104: trace = 0.0005435111183287109 (0.00096773% change) + large trace change predicted (0.0121753%) linmin: converged after 3 iterations. - iteration 110: trace = 0.0005433198677410858 (0.00794218% change) + iteration 105: trace = 0.0005434449567638206 (0.0121737% change) + linmin: converged after 2 iterations. + iteration 106: trace = 0.0005434410274727657 (0.000723036% change) + large trace change predicted (0.0153686%) linmin: converged after 3 iterations. - iteration 111: trace = 0.0005433016491217589 (0.00335326% change) + iteration 107: trace = 0.000543357583724769 (0.0153559% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005432904552375306 (0.00206037% change) - large trace change predicted (0.00503731%) + iteration 108: trace = 0.0005433559425934892 (0.000302036% change) + large trace change predicted (0.0117648%) + linmin: converged after 3 iterations. + iteration 109: trace = 0.0005432920431473641 (0.0117608% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005432630888115566 (0.00503729% change) + iteration 110: trace = 0.0005432896628366341 (0.000438128% change) + large trace change predicted (0.00949573%) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005432405511159749 (0.00414866% change) + iteration 111: trace = 0.0005432380426682869 (0.00950186% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005432232343119156 (0.00318774% change) + iteration 112: trace = 0.0005432331257739402 (0.000905113% change) + large trace change predicted (0.00221037%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005432227204238679 (9.45998e-05% change) - large trace change predicted (0.00254651%) + iteration 113: trace = 0.000543221116361951 (0.00221075% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005432088848917903 (0.00254697% change) + iteration 114: trace = 0.0005432204746704915 (0.000118127% change) + large trace change predicted (0.00265795%) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005432080586324675 (0.000152107% change) - large trace change predicted (0.00130205%) + iteration 115: trace = 0.0005432060353813971 (0.00265813% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005432009854965117 (0.00130211% change) + iteration 116: trace = 0.0005432036139747397 (0.000445763% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005432007843361913 (3.70324e-05% change) - large trace change predicted (0.00117154%) + iteration 117: trace = 0.0005431990785116193 (0.000834951% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005431944207952946 (0.0011715% change) + iteration 118: trace = 0.0005431979264061372 (0.000212097% change) + large trace change predicted (0.000723263%) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005431939577061234 (8.5253e-05% change) - large trace change predicted (0.000843668%) + iteration 119: trace = 0.0005431939976704792 (0.000723263% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005431893750371498 (0.000843656% change) + iteration 120: trace = 0.0005431920389551275 (0.000360593% change) + large trace change predicted (0.00103864%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005431891409549458 (4.3094e-05% change) - large trace change predicted (0.000806767%) + iteration 121: trace = 0.0005431863971834095 (0.00103864% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005431847586501823 (0.000806777% change) + iteration 122: trace = 0.0005431852869783227 (0.000204388% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005431843328528601 (7.83891e-05% change) - large trace change predicted (0.000740693%) + iteration 123: trace = 0.000543184531099469 (0.000139157% change) + large trace change predicted (0.000337847%) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005431803095915942 (0.000740683% change) + iteration 124: trace = 0.0005431826959961891 (0.000337842% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.000543179959249254 (6.44984e-05% change) + iteration 125: trace = 0.0005431795216100968 (0.000584407% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005431795265019933 (7.96693e-05% change) - large trace change predicted (0.000202366%) + iteration 126: trace = 0.000543178894063383 (0.000115532% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005431784273172502 (0.000202361% change) + iteration 127: trace = 0.0005431787781330419 (2.13429e-05% change) + large trace change predicted (0.000240786%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005431780317806902 (7.28189e-05% change) + iteration 128: trace = 0.0005431774702791114 (0.000240778% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005431778501809542 (3.34328e-05% change) + iteration 129: trace = 0.0005431773353971021 (2.4832e-05% change) + large trace change predicted (0.000112502%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005431776179226803 (4.27592e-05% change) - large trace change predicted (0.000164561%) + iteration 130: trace = 0.0005431767243155096 (0.000112501% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.000543176724085599 (0.000164557% change) + iteration 131: trace = 0.0005431767142489135 (1.85328e-06% change) + large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005431767010750109 (4.2363e-06% change) - large trace change predicted (2.12489e-05%) + iteration 132: trace = 0.0005431766042266818 (2.02553e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005431765856562453 (2.12488e-05% change) + iteration 133: trace = 0.0005431765741613696 (5.53509e-06% change) + large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005431765718071127 (2.54966e-06% change) - large trace change predicted (5.28436e-05%) + iteration 134: trace = 0.0005431763597343467 (3.94765e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005431762847744628 (5.28434e-05% change) + iteration 135: trace = 0.000543176350304105 (1.73613e-06% change) + large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005431762754553261 (1.71567e-06% change) - resetting CG direction... + iteration 136: trace = 0.0005431762346775087 (2.12871e-05% change) linmin: converged after 2 iterations. - iteration 140: trace = 0.0005431762667404001 (1.60444e-06% change) - large trace change predicted (1.19454e-05%) + iteration 137: trace = 0.0005431762149597989 (3.63008e-06% change) + large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. - iteration 141: trace = 0.0005431762018560444 (1.19454e-05% change) + iteration 138: trace = 0.0005431761117660975 (1.89982e-05% change) linmin: converged after 2 iterations. - iteration 142: trace = 0.0005431761980762738 (6.95865e-07% change) -Finished solving for bands 1 to 1 after 142 iterations. + iteration 139: trace = 0.0005431761082614572 (6.45213e-07% change) +Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 -elapsed time for k point: 2.0462465286254883 -total elapsed time for run: 2.0608127117156982 +elapsed time for k point: 5.13008451461792 +total elapsed time for run: 5.151307106018066 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69646,332 +69665,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01366281509399414 +elapsed time for initialization: 0.055750131607055664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396294122459344 (199.998% change) + iteration 1: trace = 0.01396294122459341 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327637332042482 (5.04101% change) + iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313625235226433 (1.06102% change) + iteration 3: trace = 0.01313625235226446 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.0114262646608427 (13.9236% change) + iteration 4: trace = 0.01142626466081094 (13.9236% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.0105778426814247 (7.71149% change) + iteration 5: trace = 0.01057784268141021 (7.71149% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01013639857555772 (4.26223% change) + iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009897078209514276 (2.3892% change) + iteration 7: trace = 0.009897078209518385 (2.3892% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008886564416124102 (10.7595% change) + iteration 8: trace = 0.008886564416138045 (10.7595% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008565145991395282 (3.68352% change) + iteration 9: trace = 0.008565145991401256 (3.68352% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008397849844160287 (1.97248% change) + iteration 10: trace = 0.008397849844177109 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007175141845411724 (15.7029% change) + iteration 11: trace = 0.007175141845434898 (15.7029% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006939886279331015 (3.33341% change) + iteration 12: trace = 0.00693988627934725 (3.33341% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006754220864490118 (2.71161% change) + iteration 13: trace = 0.006754220864517417 (2.71161% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005999068791934243 (11.8425% change) + iteration 14: trace = 0.005999068791940736 (11.8425% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005828143295089338 (2.89038% change) + iteration 15: trace = 0.005828143295087075 (2.89038% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005499745249097797 (5.79805% change) + iteration 16: trace = 0.005499745249108462 (5.79805% change) linmin: converged after 5 iterations. - iteration 17: trace = 0.004689705950872016 (15.8996% change) + iteration 17: trace = 0.004689705950887633 (15.8996% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.00454821626307008 (3.06324% change) + iteration 18: trace = 0.004548216263088865 (3.06324% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004494400626848155 (1.19027% change) + iteration 19: trace = 0.004494400626864724 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003852697661184533 (15.3755% change) + iteration 20: trace = 0.003852697661175374 (15.3755% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003401441414579496 (12.4413% change) + iteration 21: trace = 0.003401441414578578 (12.4413% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003342291500870931 (1.75422% change) + iteration 22: trace = 0.003342291500872484 (1.75422% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003210733866362605 (4.01517% change) + iteration 23: trace = 0.003210733866357022 (4.01517% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002909608419534281 (9.84015% change) + iteration 24: trace = 0.002909608419542651 (9.84015% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002833135702040715 (2.66328% change) + iteration 25: trace = 0.002833135702054997 (2.66328% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002795671508290575 (1.33116% change) + iteration 26: trace = 0.002795671508303086 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002551161055495985 (9.14599% change) + iteration 27: trace = 0.002551161055497138 (9.14599% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002146624058566574 (17.2225% change) + iteration 28: trace = 0.002146624058558601 (17.2225% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.002047335440863474 (4.73484% change) + iteration 29: trace = 0.002047335440850979 (4.73484% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.002021075958935488 (1.2909% change) + iteration 30: trace = 0.002021075958922958 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001943283503170069 (3.92459% change) + iteration 31: trace = 0.001943283503165571 (3.92459% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001807179549753952 (7.25798% change) + iteration 32: trace = 0.001807179549763089 (7.25798% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001763263473819884 (2.45998% change) + iteration 33: trace = 0.001763263473831708 (2.45998% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.00173780035932814 (1.45459% change) + iteration 34: trace = 0.001737800359338393 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001633741627719343 (6.17277% change) + iteration 35: trace = 0.001633741627722456 (6.17277% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001441114809877337 (12.5292% change) + iteration 36: trace = 0.00144111480988039 (12.5292% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001370755783728522 (5.00443% change) + iteration 37: trace = 0.001370755783732292 (5.00443% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001346317415227613 (1.79887% change) + iteration 38: trace = 0.001346317415230376 (1.79887% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001298937134873148 (3.58229% change) + iteration 39: trace = 0.001298937134873691 (3.58229% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001218627642656029 (6.37993% change) + iteration 40: trace = 0.001218627642653946 (6.37993% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001185961764719755 (2.71696% change) + iteration 41: trace = 0.00118596176471649 (2.71696% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001174813105177768 (0.944492% change) + iteration 42: trace = 0.001174813105174837 (0.944492% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001153265562989852 (1.8511% change) + iteration 43: trace = 0.001153265562989905 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. - iteration 44: trace = 0.00108743367114814 (5.87601% change) + iteration 44: trace = 0.001087433671151787 (5.87601% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.001034298521884282 (5.00866% change) + iteration 45: trace = 0.001034298521881662 (5.00866% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.001017851035013724 (1.60295% change) + iteration 46: trace = 0.001017851035009094 (1.60295% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.001004519468268955 (1.31841% change) + iteration 47: trace = 0.001004519468266591 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0009665939687700462 (3.84813% change) + iteration 48: trace = 0.0009665939687762763 (3.84813% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0009133188303358663 (5.66783% change) + iteration 49: trace = 0.0009133188303390839 (5.66783% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0008935369733055747 (2.18964% change) + iteration 50: trace = 0.0008935369733028341 (2.18964% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008868840069755231 (0.747348% change) + iteration 51: trace = 0.000886884006971483 (0.747348% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008772749495180147 (1.08936% change) + iteration 52: trace = 0.0008772749495150331 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0008552392129427833 (2.54379% change) + iteration 53: trace = 0.0008552392129429354 (2.54379% change) linmin: converged after 3 iterations. - iteration 54: trace = 0.0008389524700076778 (1.92266% change) + iteration 54: trace = 0.0008389524700080418 (1.92266% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0008335405326929656 (0.64717% change) + iteration 55: trace = 0.0008335405326932137 (0.64717% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0008288283473208021 (0.566924% change) + iteration 56: trace = 0.0008288283473217279 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. - iteration 57: trace = 0.000814772592137432 (1.71036% change) + iteration 57: trace = 0.0008147725921408485 (1.71036% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.000790079348502702 (3.07732% change) + iteration 58: trace = 0.0007900793485054786 (3.07732% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007778204750144772 (1.56373% change) + iteration 59: trace = 0.0007778204750146602 (1.56373% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.000772667468305976 (0.664695% change) + iteration 60: trace = 0.0007726674683056963 (0.664695% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0007649513901889924 (1.00364% change) + iteration 61: trace = 0.0007649513901897708 (1.00364% change) linmin: converged after 3 iterations. - iteration 62: trace = 0.0007496428368877253 (2.02147% change) + iteration 62: trace = 0.0007496428368886401 (2.02147% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0007398684201165921 (1.31243% change) + iteration 63: trace = 0.0007398684201150611 (1.31243% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0007370458134007473 (0.38223% change) + iteration 64: trace = 0.0007370458133985373 (0.38223% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0007351918599744119 (0.251855% change) + iteration 65: trace = 0.000735191859972615 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007302607013479041 (0.672988% change) + iteration 66: trace = 0.0007302607013482175 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007195516691332926 (1.4773% change) + iteration 67: trace = 0.0007195516691339608 (1.4773% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007127713608906345 (0.946757% change) + iteration 68: trace = 0.0007127713608884197 (0.946757% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0007101173341157817 (0.373048% change) + iteration 69: trace = 0.000710117334112892 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0007093654384218669 (0.105939% change) + iteration 70: trace = 0.0007093654384190247 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. - iteration 71: trace = 0.000705411533580544 (0.558944% change) + iteration 71: trace = 0.0007054115335778135 (0.558944% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0007043508285004786 (0.15048% change) + iteration 72: trace = 0.0007043508284973863 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006893877837385344 (2.14718% change) + iteration 73: trace = 0.000689387783738627 (2.14718% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006869429879499206 (0.355263% change) + iteration 74: trace = 0.0006869429879505159 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. - iteration 75: trace = 0.000663241973036735 (3.51078% change) + iteration 75: trace = 0.000663241973040529 (3.51078% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0006461474496927666 (2.61107% change) + iteration 76: trace = 0.0006461474496940278 (2.61107% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0006453825708276554 (0.118445% change) + iteration 77: trace = 0.000645382570827874 (0.118445% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0006447710424076794 (0.0947993% change) + iteration 78: trace = 0.0006447710424067101 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0006399009415589562 (0.758186% change) + iteration 79: trace = 0.0006399009415614986 (0.758186% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0006345766138962219 (0.835531% change) + iteration 80: trace = 0.0006345766138954315 (0.835531% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0006342779858427757 (0.0470705% change) + iteration 81: trace = 0.0006342779858427185 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0006330287779099556 (0.197144% change) + iteration 82: trace = 0.0006330287779096562 (0.197144% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0006328503458957666 (0.028191% change) + iteration 83: trace = 0.0006328503458957316 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0006298664595372126 (0.472614% change) + iteration 84: trace = 0.0006298664595368616 (0.472614% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0006297884416292021 (0.0123872% change) + iteration 85: trace = 0.0006297884416290364 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0006289405513807541 (0.134722% change) + iteration 86: trace = 0.0006289405513807639 (0.134722% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.0006288999747737499 (0.00645179% change) + iteration 87: trace = 0.0006288999747736609 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. - iteration 88: trace = 0.0006281819528921858 (0.114236% change) + iteration 88: trace = 0.0006281819528921466 (0.114236% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0006281612812703783 (0.00329076% change) + iteration 89: trace = 0.000628161281270317 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. - iteration 90: trace = 0.000626904802743337 (0.200225% change) + iteration 90: trace = 0.0006269048027432523 (0.200225% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0006268416995434704 (0.0100663% change) + iteration 91: trace = 0.0006268416995451312 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. - iteration 92: trace = 0.0006263980312007239 (0.0708034% change) + iteration 92: trace = 0.000626398031200671 (0.0708034% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0006263687788694509 (0.00467004% change) + iteration 93: trace = 0.0006263687788694769 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. - iteration 94: trace = 0.0006257376260450392 (0.100815% change) + iteration 94: trace = 0.0006257376260450012 (0.100815% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0006254476225647274 (0.0463566% change) + iteration 95: trace = 0.0006254476225758918 (0.0463566% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0006249214954456881 (0.0841555% change) + iteration 96: trace = 0.0006249214954458861 (0.0841555% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0006249085073482931 (0.00207838% change) + iteration 97: trace = 0.0006249085073484139 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. - iteration 98: trace = 0.0006244969880428375 (0.0658744% change) + iteration 98: trace = 0.0006244969880426135 (0.0658744% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0006243594162112551 (0.0220316% change) + iteration 99: trace = 0.0006243594162144896 (0.0220316% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0006242411519433756 (0.0189435% change) + iteration 100: trace = 0.0006242411519433558 (0.0189435% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0006242120429819745 (0.0046632% change) + iteration 101: trace = 0.0006242120429852499 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. - iteration 102: trace = 0.0006241068170757117 (0.0168588% change) + iteration 102: trace = 0.0006241068170755967 (0.0168588% change) linmin: converged after 3 iterations. - iteration 103: trace = 0.0006240132387217271 (0.0149951% change) + iteration 103: trace = 0.0006240132387222155 (0.0149951% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0006240067268226067 (0.00104356% change) + iteration 104: trace = 0.0006240067268226032 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0006238926340010048 (0.0182856% change) + iteration 105: trace = 0.0006238926340019662 (0.0182856% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0006238881804011318 (0.000713843% change) + iteration 106: trace = 0.0006238881804011373 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0006238150679885372 (0.0117195% change) + iteration 107: trace = 0.0006238150679888384 (0.0117195% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0006238111858541319 (0.000622323% change) + iteration 108: trace = 0.0006238111858541247 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. - iteration 109: trace = 0.0006237468869857191 (0.010308% change) + iteration 109: trace = 0.000623746886985712 (0.010308% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0006237433266605454 (0.000570798% change) + iteration 110: trace = 0.0006237433266613875 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0006237256523970991 (0.00283362% change) + iteration 111: trace = 0.0006237256523971031 (0.00283362% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change) + iteration 112: trace = 0.0006237252184688577 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0006237056946706663 (0.00313024% change) + iteration 113: trace = 0.0006237056946706505 (0.00313024% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0006237007607942054 (0.000791062% change) + iteration 114: trace = 0.0006237007607950098 (0.000791061% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0006236986742965006 (0.000334536% change) + iteration 115: trace = 0.0006236986742964966 (0.000334536% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0006236977784983962 (0.000143627% change) + iteration 116: trace = 0.0006236977784986264 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0006236895075212109 (0.00132613% change) + iteration 117: trace = 0.0006236895075211971 (0.00132613% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0006236808514363969 (0.00138789% change) + iteration 118: trace = 0.0006236808514364818 (0.00138789% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change) + iteration 119: trace = 0.0006236804477339136 (6.47291e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. - iteration 120: trace = 0.0006236790031520221 (0.000231622% change) + iteration 120: trace = 0.0006236790031526859 (0.000231622% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0006236775448099845 (0.000233829% change) + iteration 121: trace = 0.0006236775448099675 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. - iteration 122: trace = 0.0006236719715208742 (0.000893621% change) + iteration 122: trace = 0.000623671971520872 (0.000893621% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change) + iteration 123: trace = 0.000623671928777806 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0006236702549673057 (0.00026838% change) + iteration 124: trace = 0.0006236702549673972 (0.00026838% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change) + iteration 125: trace = 0.0006236701591373892 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. - iteration 126: trace = 0.0006236691142128384 (0.000167545% change) + iteration 126: trace = 0.0006236691142128331 (0.000167545% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change) + iteration 127: trace = 0.0006236690826243756 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change) + iteration 128: trace = 0.0006236687660521714 (5.07597e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change) + iteration 129: trace = 0.0006236687434016156 (3.63182e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change) + iteration 130: trace = 0.0006236685418293207 (3.23204e-05% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change) + iteration 131: trace = 0.0006236684592828836 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change) + iteration 132: trace = 0.0006236682789503597 (2.89148e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.000623668112285246 (2.67234e-05% change) + iteration 133: trace = 0.0006236681122852685 (2.67234e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change) + iteration 134: trace = 0.0006236680961513038 (2.58695e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.000623668021265661 (1.20073e-05% change) + iteration 135: trace = 0.0006236680212656702 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change) + iteration 136: trace = 0.0006236677968098786 (3.59896e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change) + iteration 137: trace = 0.0006236677322588559 (1.03502e-05% change) linmin: converged after 1 iterations. - iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change) + iteration 138: trace = 0.0006236677264374844 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 -elapsed time for k point: 2.787832736968994 -total elapsed time for run: 2.801638603210449 +elapsed time for k point: 5.373315334320068 +total elapsed time for run: 5.429279088973999 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70051,332 +70070,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.025667905807495117 +elapsed time for initialization: 0.04656219482421875 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396271777702836 (199.998% change) + iteration 1: trace = 0.01396271777714665 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684379161198 (5.03587% change) + iteration 2: trace = 0.01327684379137829 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325504605953 (1.08738% change) + iteration 3: trace = 0.01313325504767425 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107375305804 (13.859% change) + iteration 4: trace = 0.0114310737506249 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169175048609 (7.81158% change) + iteration 5: trace = 0.01057169175360215 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490400305185 (4.41627% change) + iteration 6: trace = 0.01011490401418842 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993326940529 (2.38007% change) + iteration 7: trace = 0.009876993337045219 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068449824534 (11.0124% change) + iteration 8: trace = 0.008846068470463845 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042033741517 (3.78995% change) + iteration 9: trace = 0.008517042058719481 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008326268447758417 (2.26527% change) + iteration 10: trace = 0.008326268486439636 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074914981587171 (16.2501% change) + iteration 11: trace = 0.007074915031937615 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.0068424473100983 (3.34069% change) + iteration 12: trace = 0.006842447359053197 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462447490108 (2.93596% change) + iteration 13: trace = 0.006644462501839149 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808379186664 (12.4482% change) + iteration 14: trace = 0.005865808450963307 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690963849388867 (3.02584% change) + iteration 15: trace = 0.005690963925043872 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359508618371709 (5.99893% change) + iteration 16: trace = 0.005359508692920852 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560607719456693 (16.1067% change) + iteration 17: trace = 0.00456060778521356 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220450095891 (3.05855% change) + iteration 18: trace = 0.004423220512570115 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098291745498 (1.25401% change) + iteration 19: trace = 0.004368098355360906 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725891927072717 (15.8687% change) + iteration 20: trace = 0.003725891995507452 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517045039942 (12.8349% change) + iteration 21: trace = 0.003276517110205123 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890421897692 (1.80545% change) + iteration 22: trace = 0.003217890486287238 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917254376704 (4.05761% change) + iteration 23: trace = 0.003089917318553374 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789088802517308 (10.234% change) + iteration 24: trace = 0.002789088865140863 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905354961251 (2.84304% change) + iteration 25: trace = 0.002710905416928298 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218192750009 (1.36254% change) + iteration 26: trace = 0.00267421825470026 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438970559116478 (9.2016% change) + iteration 27: trace = 0.002438970621319509 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189379115413 (18.0982% change) + iteration 28: trace = 0.00203418944010795 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181140043519 (5.09195% change) + iteration 29: trace = 0.001933181200037266 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998536383545 (1.31119% change) + iteration 30: trace = 0.001907998595895339 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919563143996 (3.90492% change) + iteration 31: trace = 0.001834919621447166 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173040973493 (7.97636% change) + iteration 32: trace = 0.001694173099988268 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646415844799382 (2.85921% change) + iteration 33: trace = 0.001646415904567996 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123099137429 (1.48646% change) + iteration 34: trace = 0.001622123158599355 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527365652848173 (6.01732% change) + iteration 35: trace = 0.001527365710188078 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717456680297 (13.6861% change) + iteration 36: trace = 0.001331717514930319 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255605877456531 (5.88342% change) + iteration 37: trace = 0.0012556059370911 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184370411997 (1.88292% change) + iteration 38: trace = 0.001232184429554499 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709291606005 (3.33967% change) + iteration 39: trace = 0.001191709348343456 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235031558499 (6.54039% change) + iteration 40: trace = 0.00111623508604669 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435546869993 (3.07454% change) + iteration 41: trace = 0.001082435601416226 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218047810318 (1.04172% change) + iteration 42: trace = 0.001071218102323885 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833174184015 (1.92124% change) + iteration 43: trace = 0.001050833228335185 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876536841237583 (6.19867% change) + iteration 44: trace = 0.0009876537371946072 (6.19867% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353331475532206 (5.44159% change) + iteration 45: trace = 0.0009353331997483407 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190901935964249 (1.75181% change) + iteration 46: trace = 0.0009190902455256912 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058432198162384 (1.45178% change) + iteration 47: trace = 0.0009058432717368889 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679701532720463 (4.27024% change) + iteration 48: trace = 0.0008679702053511236 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163905174485772 (6.12454% change) + iteration 49: trace = 0.0008163905685662359 (6.12454% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981007096165986 (2.26571% change) + iteration 50: trace = 0.0007981007599205427 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920805724629956 (0.757164% change) + iteration 51: trace = 0.0007920806225007862 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831093301004699 (1.13907% change) - large trace change predicted (2.68697%) + iteration 52: trace = 0.0007831093799742166 (1.13907% change) + large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.000761528135426248 (2.79434% change) + iteration 53: trace = 0.0007615281851118769 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452605624350398 (2.15924% change) + iteration 54: trace = 0.0007452606118040261 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399617659225152 (0.713536% change) + iteration 55: trace = 0.0007399618151306663 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354447431366061 (0.612309% change) + iteration 56: trace = 0.0007354447922588109 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218264872609612 (1.86901% change) + iteration 57: trace = 0.000721826536302999 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978561395677295 (3.37686% change) + iteration 58: trace = 0.0006978561882555626 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862155723300258 (1.68208% change) + iteration 59: trace = 0.0006862156206211374 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814083599369329 (0.703002% change) + iteration 60: trace = 0.0006814084080539918 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741503650176685 (1.07085% change) + iteration 61: trace = 0.0006741504129753939 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599992435064616 (2.12137% change) + iteration 62: trace = 0.000659999290976045 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513435801790412 (1.32012% change) + iteration 63: trace = 0.0006513436270981244 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488234338593133 (0.387665% change) + iteration 64: trace = 0.0006488234806263591 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469457745291533 (0.289814% change) + iteration 65: trace = 0.0006469458213069393 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416678038498573 (0.81917% change) + iteration 66: trace = 0.0006416678507865772 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315481335459715 (1.58962% change) + iteration 67: trace = 0.0006315481801294535 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260133434824635 (0.880242% change) + iteration 68: trace = 0.0006260133894910059 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237060186849304 (0.369255% change) + iteration 69: trace = 0.0006237060645473944 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229820238752668 (0.116147% change) + iteration 70: trace = 0.0006229820697264652 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.000619185975240027 (0.611197% change) + iteration 71: trace = 0.0006191860209966898 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. - iteration 72: trace = 0.000608334214180028 (1.76808% change) + iteration 72: trace = 0.0006083342490959136 (1.76808% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039816199266593 (0.718063% change) + iteration 73: trace = 0.0006039816651693376 (0.718061% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953484819626666 (1.43966% change) + iteration 74: trace = 0.0005953484401947215 (1.43967% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790995314258247 (2.76708% change) + iteration 75: trace = 0.0005790995758180866 (2.76706% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636612320257452 (2.70193% change) + iteration 76: trace = 0.0005636612735800872 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632764663985446 (0.0682852% change) - large trace change predicted (0.152933%) + iteration 77: trace = 0.0005632765099694987 (0.0682848% change) + large trace change predicted (0.152934%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624156431369534 (0.152941% change) - large trace change predicted (0.911933%) + iteration 78: trace = 0.0005624156809985814 (0.152942% change) + large trace change predicted (0.911932%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573059832628463 (0.912666% change) + iteration 79: trace = 0.0005573060269179165 (0.912665% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534005750334278 (0.70323% change) + iteration 80: trace = 0.000553400616087157 (0.70323% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.00055274427599954 (0.118664% change) + iteration 81: trace = 0.0005527443191087428 (0.118664% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523218980174362 (0.0764439% change) + iteration 82: trace = 0.000552321941088286 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515157998726197 (0.146054% change) + iteration 83: trace = 0.0005515158430655318 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490273906202861 (0.452215% change) + iteration 84: trace = 0.0005490274322695059 (0.452215% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486973062606488 (0.0601397% change) + iteration 85: trace = 0.0005486973491229925 (0.0601395% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485468194065228 (0.02743% change) + iteration 86: trace = 0.0005485468627374394 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479724554569566 (0.104761% change) + iteration 87: trace = 0.000547972498211812 (0.104761% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475043874774154 (0.0854547% change) + iteration 88: trace = 0.0005475044292061455 (0.0854548% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473523294807735 (0.0277768% change) + iteration 89: trace = 0.0005473523724161047 (0.0277766% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472797076870569 (0.0132687% change) + iteration 90: trace = 0.0005472797511647959 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462877992637638 (0.181408% change) + iteration 91: trace = 0.0005462878420903345 (0.181408% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461204284860174 (0.0306425% change) + iteration 92: trace = 0.0005461204693934086 (0.0306429% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005458502535363965 (0.0494839% change) + iteration 93: trace = 0.0005458502963198951 (0.0494836% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457795521222682 (0.0129534% change) - large trace change predicted (0.0900911%) + iteration 94: trace = 0.0005457795958192028 (0.0129532% change) + large trace change predicted (0.0900913%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452879398776338 (0.0901158% change) + iteration 95: trace = 0.0005452879826597424 (0.090116% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451433198611155 (0.0265253% change) - large trace change predicted (0.0932212%) + iteration 96: trace = 0.0005451433594185627 (0.0265259% change) + large trace change predicted (0.0932206%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446350610887845 (0.0932775% change) + iteration 97: trace = 0.0005446351038603798 (0.0932769% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000544624438164947 (0.00195049% change) + iteration 98: trace = 0.0005446244809478326 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441708252562894 (0.0833238% change) + iteration 99: trace = 0.000544170867685768 (0.0833239% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.000544155958915407 (0.00273196% change) - large trace change predicted (0.0234908%) + iteration 100: trace = 0.0005441560011641659 (0.002732% change) + large trace change predicted (0.0234907%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440279380228253 (0.0235293% change) + iteration 101: trace = 0.0005440279807565414 (0.0235292% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440224436552551 (0.00100995% change) + iteration 102: trace = 0.0005440224863450129 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439111758877257 (0.0204549% change) + iteration 103: trace = 0.0005439112184851628 (0.0204549% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439049303812264 (0.00114827% change) + iteration 104: trace = 0.0005439049728337337 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438403048495797 (0.0118825% change) + iteration 105: trace = 0.0005438403475057928 (0.0118824% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438366903992418 (0.000664618% change) + iteration 106: trace = 0.0005438367330668095 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000543752654461827 (0.0154536% change) + iteration 107: trace = 0.0005437526970877011 (0.0154536% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437508689527801 (0.000328368% change) + iteration 108: trace = 0.0005437509115470904 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436882857253549 (0.0115102% change) + iteration 109: trace = 0.000543688328493036 (0.0115102% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.000543684890476973 (0.000624486% change) - large trace change predicted (0.00985789%) + iteration 110: trace = 0.0005436849331146804 (0.00062451% change) + large trace change predicted (0.00985792%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436312612632965 (0.00986451% change) + iteration 111: trace = 0.00054363130372977 (0.00986454% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436281807409389 (0.000566658% change) - large trace change predicted (0.00213148%) + iteration 112: trace = 0.0005436282233598913 (0.00056663% change) + large trace change predicted (0.00213147%) linmin: converged after 2 iterations. - iteration 113: trace = 0.000543616591628237 (0.00213183% change) + iteration 113: trace = 0.0005436166343019083 (0.00213182% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436156048902152 (0.000181514% change) - large trace change predicted (0.0028618%) + iteration 114: trace = 0.0005436156475184242 (0.000181522% change) + large trace change predicted (0.00286181%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436000468416936 (0.002862% change) + iteration 115: trace = 0.0005436000893744547 (0.00286202% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435987076421373 (0.000246358% change) - large trace change predicted (0.000702186%) + iteration 116: trace = 0.0005435987502667062 (0.000246341% change) + large trace change predicted (0.00070217%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435948906151827 (0.00070218% change) + iteration 117: trace = 0.000543594933324994 (0.000702164% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435929921312011 (0.000349247% change) - large trace change predicted (0.000866577%) + iteration 118: trace = 0.0005435930347529551 (0.000349263% change) + large trace change predicted (0.000866591%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435882815001127 (0.000866577% change) + iteration 119: trace = 0.0005435883240475034 (0.000866591% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435871105991721 (0.000215402% change) - large trace change predicted (0.000869541%) + iteration 120: trace = 0.0005435871532213428 (0.000215389% change) + large trace change predicted (0.000869521%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435823838934027 (0.000869543% change) + iteration 121: trace = 0.0005435824266276365 (0.000869523% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435803690114208 (0.000370668% change) + iteration 122: trace = 0.0005435804116347921 (0.000370688% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435791307631939 (0.000227795% change) + iteration 123: trace = 0.0005435791733245793 (0.000227807% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435777689746245 (0.000250523% change) + iteration 124: trace = 0.0005435778115970969 (0.000250512% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435751707260391 (0.000477991% change) + iteration 125: trace = 0.0005435752134200393 (0.000477978% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435739679067277 (0.00022128% change) + iteration 126: trace = 0.0005435740105292077 (0.000221293% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435737252640443 (4.46384e-05% change) - large trace change predicted (0.000217277%) + iteration 127: trace = 0.0005435737678652137 (4.46423e-05% change) + large trace change predicted (0.000217273%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435725442399476 (0.000217271% change) + iteration 128: trace = 0.0005435725868624793 (0.000217267% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435724752420875 (1.26934e-05% change) - large trace change predicted (0.000125578%) + iteration 129: trace = 0.0005435725178691449 (1.26926e-05% change) + large trace change predicted (0.000125579%) linmin: converged after 2 iterations. - iteration 130: trace = 0.000543571792640621 (0.000125577% change) + iteration 130: trace = 0.0005435718352625699 (0.000125578% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435717814305401 (2.0623e-06% change) - large trace change predicted (1.96196e-05%) + iteration 131: trace = 0.0005435718240520626 (2.06238e-06% change) + large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435716747838638 (1.96196e-05% change) + iteration 132: trace = 0.0005435717174059902 (1.96195e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435716602874839 (2.66688e-06% change) - large trace change predicted (4.27176e-05%) + iteration 133: trace = 0.0005435717029106299 (2.66669e-06% change) + large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435714280874962 (4.27175e-05% change) + iteration 134: trace = 0.0005435714707094334 (4.27177e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435714166124248 (2.11105e-06% change) - large trace change predicted (2.06104e-05%) + iteration 135: trace = 0.0005435714592337781 (2.11116e-06% change) + large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435713045803726 (2.06104e-05% change) + iteration 136: trace = 0.0005435713472024276 (2.06102e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435712951288903 (1.73878e-06% change) - large trace change predicted (2.10131e-05%) + iteration 137: trace = 0.0005435713377516353 (1.73865e-06% change) + large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435711809078232 (2.10131e-05% change) + iteration 138: trace = 0.0005435712235298028 (2.10132e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435711770990963 (7.00686e-07% change) + iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.630974292755127 -total elapsed time for run: 1.6567769050598145 +elapsed time for k point: 4.916609287261963 +total elapsed time for run: 4.96333122253418 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70456,326 +70475,326 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.029718875885009766 +elapsed time for initialization: 0.05732321739196777 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396282863185967 (199.998% change) + iteration 1: trace = 0.01396282863191972 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327661774833224 (5.03836% change) + iteration 2: trace = 0.01327661774820582 (5.03836% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313475705841226 (1.07424% change) + iteration 3: trace = 0.01313475705921867 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142848206141128 (13.8929% change) + iteration 4: trace = 0.0114284820601211 (13.8929% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.0105745914587231 (7.76156% change) + iteration 5: trace = 0.01057459146038172 (7.76156% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.0101254999134157 (4.33903% change) + iteration 6: trace = 0.01012549991920006 (4.33903% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009886881709701506 (2.38471% change) + iteration 7: trace = 0.009886881715103948 (2.38471% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008866172549101381 (10.8858% change) + iteration 8: trace = 0.008866172559988101 (10.8858% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008540877157839653 (3.73751% change) + iteration 9: trace = 0.008540877170779771 (3.73751% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008362498787756292 (2.11057% change) + iteration 10: trace = 0.008362498806993695 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007124056920432608 (15.9938% change) + iteration 11: trace = 0.00712405694737991 (15.9938% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006890108024926639 (3.33875% change) + iteration 12: trace = 0.006890108051136173 (3.33875% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006697796618362754 (2.83063% change) + iteration 13: trace = 0.006697796647897047 (2.83063% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005932474462820255 (12.1189% change) + iteration 14: trace = 0.005932474498651875 (12.1189% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005760215664354896 (2.94644% change) + iteration 15: trace = 0.005760215701241404 (2.94644% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005429156702961628 (5.91738% change) + iteration 16: trace = 0.005429156740656219 (5.91738% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004623726896251719 (16.0239% change) + iteration 17: trace = 0.0046237269309487 (16.0239% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004483952612336179 (3.06937% change) + iteration 18: trace = 0.004483952645940373 (3.06937% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004429612815687704 (1.21926% change) + iteration 19: trace = 0.004429612849637454 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003789077305098401 (15.5873% change) + iteration 20: trace = 0.00378907733911895 (15.5873% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003338025632710932 (12.6574% change) + iteration 21: trace = 0.003338025666280661 (12.6574% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003278987412972769 (1.78444% change) + iteration 22: trace = 0.003278987446412594 (1.78444% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003149820574125448 (4.01838% change) + iteration 23: trace = 0.003149820606566866 (4.01838% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002848331479516706 (10.0527% change) + iteration 24: trace = 0.002848331511886508 (10.0527% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002770456662601979 (2.77194% change) + iteration 25: trace = 0.002770456695460308 (2.77194% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002733517960519107 (1.34226% change) + iteration 26: trace = 0.002733517993166782 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. - iteration 27: trace = 0.00249541863440773 (9.10699% change) + iteration 27: trace = 0.002495418664506267 (9.10699% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002090277716031493 (17.6698% change) + iteration 28: trace = 0.002090277746202956 (17.6698% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001989520858154074 (4.93931% change) + iteration 29: trace = 0.001989520888821057 (4.93931% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001963871567932314 (1.29758% change) + iteration 30: trace = 0.001963871598315264 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001888954606964787 (3.88894% change) + iteration 31: trace = 0.001888954636072926 (3.88894% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001749742176070534 (7.65177% change) + iteration 32: trace = 0.001749742206433316 (7.65177% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001703401480554153 (2.68397% change) + iteration 33: trace = 0.001703401511977219 (2.68397% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001678658538789076 (1.46319% change) + iteration 34: trace = 0.001678658569900026 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001580381790441264 (6.03102% change) + iteration 35: trace = 0.00158038181903199 (6.03102% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001385927730520019 (13.1108% change) + iteration 36: trace = 0.001385927759958251 (13.1108% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001312106672370231 (5.47221% change) + iteration 37: trace = 0.001312106703421751 (5.47221% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001288217043449629 (1.83743% change) + iteration 38: trace = 0.001288217074223725 (1.83743% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001244812774042486 (3.42706% change) + iteration 39: trace = 0.001244812802907718 (3.42706% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001167068483765795 (6.44678% change) + iteration 40: trace = 0.001167068511293832 (6.44678% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001133684434178517 (2.90201% change) + iteration 41: trace = 0.001133684462043659 (2.90201% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001122485542989582 (0.992735% change) + iteration 42: trace = 0.001122485570880647 (0.992735% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001101592535747345 (1.8788% change) + iteration 43: trace = 0.001101592563315935 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001037151646856844 (6.02605% change) + iteration 44: trace = 0.001037151673681686 (6.02605% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009842870679438447 (5.23039% change) + iteration 45: trace = 0.000984287094551253 (5.23039% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009678995681967128 (1.67889% change) + iteration 46: trace = 0.0009678995947534663 (1.67889% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009546160172788697 (1.38189% change) + iteration 47: trace = 0.000954616043814449 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. - iteration 48: trace = 0.000916747039961763 (4.04721% change) + iteration 48: trace = 0.0009167470664848677 (4.04721% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008643207411316604 (5.88706% change) + iteration 49: trace = 0.0008643207672006787 (5.88706% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.000845315910739186 (2.22326% change) + iteration 50: trace = 0.0008453159364075107 (2.22326% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008390202664902233 (0.747552% change) + iteration 51: trace = 0.0008390202919889473 (0.747552% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008298050946925792 (1.10439% change) + iteration 52: trace = 0.0008298051200206901 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0008080190305708065 (2.66037% change) + iteration 53: trace = 0.0008080190557798996 (2.66037% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.00079162854181852 (2.04926% change) + iteration 54: trace = 0.0007916285670272648 (2.04926% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007862346521403004 (0.683695% change) + iteration 55: trace = 0.0007862346773187763 (0.683695% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007816219005136344 (0.588415% change) + iteration 56: trace = 0.0007816219256371879 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007678304581465391 (1.78017% change) + iteration 57: trace = 0.0007678304831481996 (1.78017% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007435387605412753 (3.21453% change) + iteration 58: trace = 0.0007435387853656353 (3.21453% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007315946250854298 (1.6194% change) + iteration 59: trace = 0.0007315946497581579 (1.6194% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0007266202261531445 (0.682259% change) + iteration 60: trace = 0.0007266202507324377 (0.682259% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0007191450877924227 (1.03407% change) + iteration 61: trace = 0.0007191451122354838 (1.03407% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0007044525736362298 (2.06414% change) + iteration 62: trace = 0.0007044525977504645 (2.06414% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006952825101851143 (1.31026% change) + iteration 63: trace = 0.0006952825340002982 (1.31026% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006926243302519913 (0.383049% change) + iteration 64: trace = 0.0006926243539879241 (0.383049% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006907570224824894 (0.269963% change) + iteration 65: trace = 0.0006907570462254813 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006856288435497712 (0.745166% change) + iteration 66: trace = 0.0006856288673857626 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006751904863054357 (1.53413% change) + iteration 67: trace = 0.0006751905099784166 (1.53413% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.000669088687421683 (0.907817% change) + iteration 68: trace = 0.0006690887107596064 (0.907817% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006666308209190745 (0.368021% change) + iteration 69: trace = 0.0006666308441649182 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006658947431497208 (0.110479% change) + iteration 70: trace = 0.000665894766388288 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006620147732805265 (0.584373% change) + iteration 71: trace = 0.0006620147964764045 (0.584373% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006593874122261623 (0.397663% change) + iteration 72: trace = 0.0006593874374268467 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006463944240491453 (1.99007% change) + iteration 73: trace = 0.0006463944470279967 (1.99007% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006439167738414215 (0.384039% change) + iteration 74: trace = 0.0006439167969047001 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0006208046743833662 (3.65489% change) + iteration 75: trace = 0.0006208046970247754 (3.65489% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0006051224092766447 (2.55843% change) + iteration 76: trace = 0.0006051224312603996 (2.55843% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0006040729301268874 (0.173583% change) + iteration 77: trace = 0.0006040729522161915 (0.173583% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0006035815539733843 (0.0813769% change) + iteration 78: trace = 0.0006035815759967994 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005982971533915254 (0.879357% change) + iteration 79: trace = 0.0005982971756216459 (0.879357% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005936478594285522 (0.780119% change) + iteration 80: trace = 0.0005936478812236439 (0.780119% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005932851018423737 (0.0611252% change) + iteration 81: trace = 0.0005932851237795748 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005925185855030427 (0.129282% change) + iteration 82: trace = 0.0005925186070021892 (0.129282% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.00059196003377382 (0.0943118% change) + iteration 83: trace = 0.0005919600556577167 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005891395482870437 (0.477603% change) + iteration 84: trace = 0.0005891395700540513 (0.477603% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005890400906086922 (0.0168833% change) + iteration 85: trace = 0.0005890401124208378 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005884530451308513 (0.0997111% change) + iteration 86: trace = 0.0005884530666234435 (0.0997111% change) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005882459056956921 (0.0352069% change) + iteration 87: trace = 0.0005882459274655951 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. - iteration 88: trace = 0.0005875693433606549 (0.11508% change) + iteration 88: trace = 0.000587569365086292 (0.11508% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.000587543283532003 (0.00443529% change) + iteration 89: trace = 0.0005875433052722463 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0005866772914158684 (0.147501% change) + iteration 90: trace = 0.000586677312479834 (0.147501% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005863761995034629 (0.0513347% change) + iteration 91: trace = 0.0005863762211877365 (0.0513346% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0005859485209182793 (0.0729625% change) + iteration 92: trace = 0.0005859485425554373 (0.0729625% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005859110691555368 (0.00639185% change) + iteration 93: trace = 0.0005859110908195298 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0005853164403279337 (0.101539% change) + iteration 94: trace = 0.0005853164619594189 (0.101539% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0005852989725401113 (0.00298438% change) + iteration 95: trace = 0.0005852989941774052 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005846175436137281 (0.116492% change) + iteration 96: trace = 0.0005846175651494939 (0.116492% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005845742773228976 (0.00740106% change) + iteration 97: trace = 0.0005845742989223471 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. - iteration 98: trace = 0.0005841585760057476 (0.0711371% change) + iteration 98: trace = 0.0005841585976180495 (0.0711371% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.000584138895070905 (0.00336917% change) + iteration 99: trace = 0.0005841389166808024 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005839462455993263 (0.0329855% change) + iteration 100: trace = 0.0005839462671582482 (0.0329855% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005839312708413394 (0.00256444% change) + iteration 101: trace = 0.0005839312924220045 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005838134763641139 (0.0201747% change) + iteration 102: trace = 0.0005838134979407572 (0.0201747% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005837926761916925 (0.00356287% change) + iteration 103: trace = 0.0005837926977464793 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. - iteration 104: trace = 0.0005837269107374333 (0.0112658% change) + iteration 104: trace = 0.000583726932305375 (0.0112658% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0005837235112543789 (0.000582377% change) + iteration 105: trace = 0.0005837235328225389 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005836230152130138 (0.0172179% change) + iteration 106: trace = 0.0005836230367732215 (0.0172179% change) linmin: converged after 2 iterations. - iteration 107: trace = 0.0005836125618292835 (0.00179114% change) + iteration 107: trace = 0.0005836125833710618 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. - iteration 108: trace = 0.0005835509247703784 (0.0105619% change) + iteration 108: trace = 0.0005835509463284342 (0.0105619% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.0005835489219978633 (0.000343205% change) + iteration 109: trace = 0.000583548943557194 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005834902614464862 (0.0100529% change) + iteration 110: trace = 0.0005834902830011508 (0.0100529% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005834861728487699 (0.000700716% change) + iteration 111: trace = 0.0005834861943973631 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005834728536184104 (0.00228272% change) + iteration 112: trace = 0.0005834728751719849 (0.00228272% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005834693335156781 (0.000603304% change) + iteration 113: trace = 0.0005834693550789713 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005834547408249953 (0.00250105% change) + iteration 114: trace = 0.0005834547623777847 (0.00250105% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005834540189343517 (0.000123727% change) + iteration 115: trace = 0.0005834540404858172 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005834482943557169 (0.000981158% change) + iteration 116: trace = 0.0005834483159081694 (0.000981158% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005834430685521981 (0.00089568% change) + iteration 117: trace = 0.0005834430901088519 (0.000895679% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005834414246136493 (0.000281765% change) + iteration 118: trace = 0.000583441446165329 (0.000281766% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.000583440021815303 (0.000240435% change) + iteration 119: trace = 0.0005834400433656973 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005834328742578728 (0.00122508% change) + iteration 120: trace = 0.0005834328958088951 (0.00122508% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005834306782744242 (0.000376391% change) + iteration 121: trace = 0.0005834306998253411 (0.000376391% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005834302085139139 (8.0517e-05% change) - large trace change predicted (0.000409963%) + iteration 122: trace = 0.000583430230064665 (8.0517e-05% change) + large trace change predicted (0.000409962%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005834278167548468 (0.000409949% change) + iteration 123: trace = 0.0005834278383109291 (0.000409948% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005834254578601202 (0.000404317% change) + iteration 124: trace = 0.0005834254794106187 (0.000404318% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005834241763966919 (0.000219645% change) + iteration 125: trace = 0.0005834241979465319 (0.000219645% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005834238920162862 (4.87433e-05% change) + iteration 126: trace = 0.0005834239135666888 (4.87432e-05% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005834234814189031 (7.03772e-05% change) + iteration 127: trace = 0.0005834235029711146 (7.03769e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005834229276800435 (9.4912e-05% change) + iteration 128: trace = 0.0005834229492303538 (9.49124e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.000583422777757594 (2.5697e-05% change) + iteration 129: trace = 0.0005834227993077964 (2.56971e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005834227469414697 (5.28195e-06% change) - large trace change predicted (3.57129e-05%) + iteration 130: trace = 0.00058342276849174 (5.28194e-06% change) + large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005834225385851272 (3.57128e-05% change) + iteration 131: trace = 0.0005834225601355878 (3.57127e-05% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005834225079959275 (5.24306e-06% change) + iteration 132: trace = 0.0005834225295461926 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005834223409330843 (2.8635e-05% change) + iteration 133: trace = 0.0005834223624832906 (2.8635e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005834223248947772 (2.749e-06% change) + iteration 134: trace = 0.000583422346445021 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005834221784127051 (2.51074e-05% change) + iteration 135: trace = 0.0005834221999629322 (2.51074e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005834221738396828 (7.83827e-07% change) + iteration 136: trace = 0.0005834221953899253 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 -elapsed time for k point: 1.8153607845306396 -total elapsed time for run: 1.845226526260376 +elapsed time for k point: 9.258405447006226 +total elapsed time for run: 9.315921306610107 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70855,332 +70874,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01345968246459961 +elapsed time for initialization: 0.05364346504211426 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396271777790272 (199.998% change) + iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988524 (5.03587% change) + iteration 2: trace = 0.01327684378988518 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801595 (1.08738% change) + iteration 3: trace = 0.01313325505801615 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373108091 (13.859% change) + iteration 4: trace = 0.01143107373108108 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177208885 (7.81158% change) + iteration 5: trace = 0.01057169177208894 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408591771 (4.41627% change) + iteration 6: trace = 0.01011490408591372 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404033396 (2.38007% change) + iteration 7: trace = 0.009876993404015133 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068607940587 (11.0124% change) + iteration 8: trace = 0.008846068607896451 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221060056 (3.78995% change) + iteration 9: trace = 0.008517042221037384 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008326268739073096 (2.26527% change) + iteration 10: trace = 0.008326268739036802 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363396836 (16.2501% change) + iteration 11: trace = 0.00707491536331146 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679414089 (3.34069% change) + iteration 12: trace = 0.006842447679345932 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857372367 (2.93596% change) + iteration 13: trace = 0.006644462857291975 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909841453 (12.4482% change) + iteration 14: trace = 0.005865808909859432 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.00569096440608213 (3.02584% change) + iteration 15: trace = 0.005690964406135154 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169240911 (5.99893% change) + iteration 16: trace = 0.005359509169257815 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608209893305 (16.1067% change) + iteration 17: trace = 0.004560608209853334 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918162126 (3.05855% change) + iteration 18: trace = 0.004423220918100116 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.00436809876742301 (1.25401% change) + iteration 19: trace = 0.004368098767370809 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430833046 (15.8687% change) + iteration 20: trace = 0.003725892430871452 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.00327651752727828 (12.8349% change) + iteration 21: trace = 0.003276517527282185 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899184164 (1.80545% change) + iteration 22: trace = 0.003217890899178432 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728414731 (4.05761% change) + iteration 23: trace = 0.003089917728431033 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266636267 (10.234% change) + iteration 24: trace = 0.002789089266631641 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905815916347 (2.84304% change) + iteration 25: trace = 0.002710905815890919 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653000225 (1.36254% change) + iteration 26: trace = 0.002674218652981606 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014403337 (9.2016% change) + iteration 27: trace = 0.002438971014462638 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.00203418982681894 (18.0982% change) + iteration 28: trace = 0.002034189826864542 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583129513 (5.09195% change) + iteration 29: trace = 0.001933181583146438 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976145633 (1.31119% change) + iteration 30: trace = 0.001907998976159604 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993043693 (3.90492% change) + iteration 31: trace = 0.001834919993063269 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476495419 (7.97636% change) + iteration 32: trace = 0.001694173476510432 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286550433 (2.85921% change) + iteration 33: trace = 0.001646416286560637 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.00162212353838028 (1.48646% change) + iteration 34: trace = 0.001622123538393179 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074293748 (6.01732% change) + iteration 35: trace = 0.001527366074325336 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884162799 (13.6861% change) + iteration 36: trace = 0.00133171788420354 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316193439 (5.88342% change) + iteration 37: trace = 0.001255606316228162 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805791781 (1.88292% change) + iteration 38: trace = 0.001232184805823635 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709360204 (3.33967% change) + iteration 39: trace = 0.001191709709386529 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.00111623543338231 (6.54039% change) + iteration 40: trace = 0.001116235433399129 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949633795 (3.07454% change) + iteration 41: trace = 0.001082435949647599 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450357667 (1.04172% change) + iteration 42: trace = 0.001071218450371559 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573696028 (1.92124% change) + iteration 43: trace = 0.001050833573711885 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.000987654075200929 (6.19866% change) + iteration 44: trace = 0.0009876540752187157 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329052125 (5.44159% change) + iteration 45: trace = 0.0009353335329191517 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905772408482 (1.75181% change) + iteration 46: trace = 0.0009190905772535928 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032251132 (1.45178% change) + iteration 47: trace = 0.0009058436032386659 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371473983 (4.27024% change) + iteration 48: trace = 0.0008679705371639546 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908944839804 (6.12453% change) + iteration 49: trace = 0.0008163908944991696 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.000798101081069695 (2.26571% change) + iteration 50: trace = 0.0007981010810829556 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000792080942015712 (0.757164% change) + iteration 51: trace = 0.0007920809420285585 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983221053 (1.13907% change) + iteration 52: trace = 0.0007831096983349729 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021463531 (2.79434% change) + iteration 53: trace = 0.0007615285021586937 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609270883194 (2.15924% change) + iteration 54: trace = 0.0007452609270992502 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621294902495 (0.713536% change) + iteration 55: trace = 0.0007399621295006832 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060370818 (0.612309% change) + iteration 56: trace = 0.0007354451060474361 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493208867 (1.86901% change) + iteration 57: trace = 0.0007218268493318061 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564988970681 (3.37686% change) + iteration 58: trace = 0.0006978564989097587 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288384622 (1.68208% change) + iteration 59: trace = 0.0006862159288520401 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087151783378 (0.703002% change) + iteration 60: trace = 0.0006814087151919372 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741507190322297 (1.07085% change) + iteration 61: trace = 0.0006741507190451401 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000659999593990964 (2.12137% change) + iteration 62: trace = 0.0006599995940020362 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268060546 (1.32012% change) + iteration 63: trace = 0.0006513439268160724 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794177938 (0.387665% change) + iteration 64: trace = 0.0006488237794276031 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461201474936 (0.289814% change) + iteration 65: trace = 0.0006469461201572879 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505262758 (0.81917% change) + iteration 66: trace = 0.0006416681505362096 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776250485 (1.58962% change) + iteration 67: trace = 0.0006315484776349438 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136834478266 (0.880242% change) + iteration 68: trace = 0.0006260136834575379 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063575923773 (0.369255% change) + iteration 69: trace = 0.0006237063576020632 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823626952816 (0.116147% change) + iteration 70: trace = 0.0006229823627049681 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863133616069 (0.611197% change) + iteration 71: trace = 0.0006191863133713059 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344730580587 (1.76809% change) + iteration 72: trace = 0.0006083344730560348 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819543628497 (0.71805% change) + iteration 73: trace = 0.0006039819543703536 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481798910976 (1.43977% change) + iteration 74: trace = 0.0005953481798126799 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998596877415 (2.76697% change) + iteration 75: trace = 0.0005790998596931895 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393331692 (2.70193% change) + iteration 76: trace = 0.0005636615393384122 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767884665681 (0.0682825% change) + iteration 77: trace = 0.0005632767884742088 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234190719 (0.152948% change) + iteration 78: trace = 0.0005624159234211975 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060359069 (0.912658% change) + iteration 79: trace = 0.0005573063060419916 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786385157 (0.703233% change) + iteration 80: trace = 0.0005534008786441685 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445946466324 (0.118661% change) + iteration 81: trace = 0.0005527445946543162 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222163898547 (0.0764439% change) + iteration 82: trace = 0.0005523222163979377 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161191466685 (0.146053% change) + iteration 83: trace = 0.0005515161191542267 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276985879651 (0.452217% change) + iteration 84: trace = 0.0005490276985936896 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.000548697623110483 (0.0601381% change) + iteration 85: trace = 0.0005486976231178065 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471396821204 (0.0274293% change) + iteration 86: trace = 0.000548547139690023 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715095822 (0.104762% change) + iteration 87: trace = 0.0005479727715169625 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960192314 (0.085456% change) + iteration 88: trace = 0.0005475046960250568 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526468567757 (0.0277752% change) + iteration 89: trace = 0.0005473526468642252 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290293612 (0.013268% change) + iteration 90: trace = 0.0005472800290374552 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158297369 (0.181409% change) + iteration 91: trace = 0.0005462881158373021 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310050715 (0.0306451% change) + iteration 92: trace = 0.0005461207310099491 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569783267 (0.0494814% change) + iteration 93: trace = 0.000545850569790862 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798750513594 (0.0129521% change) + iteration 94: trace = 0.0005457798750599606 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561203112 (0.090117% change) + iteration 95: trace = 0.0005452882561277402 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436124974445 (0.0265296% change) + iteration 96: trace = 0.0005451436125004581 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353772469695 (0.0932731% change) + iteration 97: trace = 0.000544635377254499 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005446247544056486 (0.00195047% change) + iteration 98: trace = 0.0005446247544131938 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389092806 (0.0833242% change) + iteration 99: trace = 0.0005441711389165505 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562712456721 (0.0027322% change) + iteration 100: trace = 0.0005441562712526624 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539033368 (0.0235286% change) + iteration 101: trace = 0.0005440282539108269 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592140726 (0.00101001% change) + iteration 102: trace = 0.0005440227592215187 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114907695426 (0.020455% change) + iteration 103: trace = 0.000543911490776917 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.000543905244202147 (0.00114846% change) + iteration 104: trace = 0.0005439052442093183 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406201617806 (0.0118822% change) + iteration 105: trace = 0.0005438406201691981 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370057943893 (0.000664603% change) + iteration 106: trace = 0.0005438370058018202 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005437529695511694 (0.0154537% change) + iteration 107: trace = 0.0005437529695585424 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838110207 (0.000328411% change) + iteration 108: trace = 0.0005437511838183545 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886018522329 (0.01151% change) + iteration 109: trace = 0.0005436886018597631 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852056529515 (0.000624661% change) + iteration 110: trace = 0.0005436852056603425 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315751854617 (0.00986474% change) + iteration 111: trace = 0.000543631575192658 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284957788854 (0.000566453% change) + iteration 112: trace = 0.0005436284957862889 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005436169070668722 (0.00213176% change) + iteration 113: trace = 0.0005436169070743091 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.000543615919996248 (0.000181575% change) + iteration 114: trace = 0.0005436159200036327 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003612492462 (0.00286213% change) + iteration 115: trace = 0.0005436003612565019 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227215039 (0.000246234% change) + iteration 116: trace = 0.0005435990227288805 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063180369 (0.000702065% change) + iteration 117: trace = 0.0005435952063255064 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933071898066 (0.000349365% change) - large trace change predicted (0.000866676%) + iteration 118: trace = 0.0005435933071971904 (0.000349365% change) + large trace change predicted (0.000866677%) linmin: converged after 2 iterations. - iteration 119: trace = 0.00054358859601461 (0.000866677% change) + iteration 119: trace = 0.000543588596021889 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874256609328 (0.000215302% change) + iteration 120: trace = 0.000543587425668311 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826997748046 (0.000869392% change) + iteration 121: trace = 0.0005435826997823042 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806840818036 (0.000370817% change) + iteration 122: trace = 0.0005435806840891893 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794453798377 (0.000227878% change) + iteration 123: trace = 0.0005435794453871397 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840383554 (0.000250441% change) + iteration 124: trace = 0.0005435780840457415 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863130363 (0.000477895% change) + iteration 125: trace = 0.0005435754863204967 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742829705516 (0.000221376% change) + iteration 126: trace = 0.0005435742829779346 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740401718096 (4.46671e-05% change) + iteration 127: trace = 0.0005435740401791636 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593041579 (0.000217242% change) + iteration 128: trace = 0.0005435728593115377 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903393508 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903467334 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005435721077005028 (0.000125584% change) + iteration 130: trace = 0.0005435721077078836 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720964873088 (2.06287e-06% change) + iteration 131: trace = 0.0005435720964946919 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898450592 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898524396 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719753561549 (2.6655e-06% change) + iteration 133: trace = 0.0005435719753635353 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717431473075 (4.27191e-05% change) + iteration 134: trace = 0.0005435717431546864 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717316679715 (2.11183e-06% change) + iteration 135: trace = 0.0005435717316753489 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196410212 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196483994 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716101946184 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102019987 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714959679594 (2.10141e-05% change) + iteration 138: trace = 0.0005435714959753419 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714921580013 (7.00912e-07% change) + iteration 139: trace = 0.0005435714921653785 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.1609179973602295 -total elapsed time for run: 1.174536943435669 +elapsed time for k point: 5.774415493011475 +total elapsed time for run: 5.828240394592285 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71260,342 +71279,342 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013791799545288086 +elapsed time for initialization: 0.056845903396606445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396277298193044 (199.998% change) + iteration 1: trace = 0.01396277298196031 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327673301533037 (5.0371% change) + iteration 2: trace = 0.01327673301526952 (5.0371% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.0131340065823002 (1.08082% change) + iteration 3: trace = 0.01313400658270512 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142972906174647 (13.8764% change) + iteration 4: trace = 0.01142972906089904 (13.8764% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057309468615556 (7.78659% change) + iteration 5: trace = 0.01057309468687932 (7.78659% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01012016037275556 (4.3776% change) + iteration 6: trace = 0.01012016037562604 (4.3776% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009881894697410781 (2.38241% change) + iteration 7: trace = 0.00988189470015354 (2.38241% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008856077201693171 (10.9491% change) + iteration 8: trace = 0.008856077207293008 (10.9491% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008528897105585187 (3.76394% change) + iteration 9: trace = 0.008528897112091316 (3.76394% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008344493537139449 (2.18573% change) + iteration 10: trace = 0.008344493547064824 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007099225557790662 (16.1265% change) + iteration 11: trace = 0.007099225571348929 (16.1265% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006865992360834375 (3.3402% change) + iteration 12: trace = 0.006865992373916016 (3.3402% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006670707148711022 (2.88527% change) + iteration 13: trace = 0.006670707163359137 (2.88527% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005899156585908601 (12.2762% change) + iteration 14: trace = 0.005899156603844815 (12.2762% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005725769803554808 (2.98302% change) + iteration 15: trace = 0.005725769822090341 (2.98302% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005394233022473838 (5.96289% change) + iteration 16: trace = 0.005394233041198144 (5.96289% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004591812072306974 (16.0708% change) + iteration 17: trace = 0.004591812089426319 (16.0708% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004453132493966217 (3.06646% change) + iteration 18: trace = 0.004453132510518065 (3.06646% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004398441223102513 (1.23574% change) + iteration 19: trace = 0.00439844123983224 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. - iteration 20: trace = 0.00375749804619481 (15.7172% change) + iteration 20: trace = 0.003757498063057178 (15.7172% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003307049608431147 (12.7524% change) + iteration 21: trace = 0.00330704962497418 (12.7524% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003248169178898424 (1.79644% change) + iteration 22: trace = 0.003248169195365587 (1.79644% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003119780792087666 (4.03233% change) + iteration 23: trace = 0.003119780808145288 (4.03233% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002818482749328674 (10.1477% change) + iteration 24: trace = 0.002818482765282546 (10.1477% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002740289448139258 (2.81333% change) + iteration 25: trace = 0.002740289464262866 (2.81333% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002703514620462402 (1.35107% change) + iteration 26: trace = 0.002703514636492719 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002467359171340254 (9.13406% change) + iteration 27: trace = 0.002467359186283343 (9.13406% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.00206225991818911 (17.8867% change) + iteration 28: trace = 0.002062259933119868 (17.8867% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001961187565261313 (5.02417% change) + iteration 29: trace = 0.001961187580392719 (5.02417% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001935785434790516 (1.30369% change) + iteration 30: trace = 0.001935785449801616 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001861930131884017 (3.88946% change) + iteration 31: trace = 0.001861930146339076 (3.88946% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001721746440539104 (7.82346% change) + iteration 32: trace = 0.001721746455463286 (7.82346% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001674547840472606 (2.77942% change) + iteration 33: trace = 0.001674547855835646 (2.77942% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001650063387730005 (1.47292% change) + iteration 34: trace = 0.001650063402957579 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001553854509801499 (6.0057% change) + iteration 35: trace = 0.001553854523947556 (6.0057% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001358699721755437 (13.4009% change) + iteration 36: trace = 0.001358699736245246 (13.4009% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001283533360390276 (5.68961% change) + iteration 37: trace = 0.001283533375593248 (5.68961% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001259889725910674 (1.8592% change) + iteration 38: trace = 0.001259889740991772 (1.8592% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001218118502169543 (3.37135% change) + iteration 39: trace = 0.001218118516413135 (3.37135% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001141570245456244 (6.488% change) + iteration 40: trace = 0.001141570259086005 (6.488% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001107914306451573 (2.99232% change) + iteration 41: trace = 0.001107914320236318 (2.99232% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001096696598318582 (1.01766% change) + iteration 42: trace = 0.001096696612114239 (1.01766% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001076085099834844 (1.89725% change) + iteration 43: trace = 0.001076085113472459 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001012315847811798 (6.10699% change) + iteration 44: trace = 0.001012315861074462 (6.10699% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009596843690857711 (5.33788% change) + iteration 45: trace = 0.000959684382235147 (5.33788% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009433542238913189 (1.71622% change) + iteration 46: trace = 0.000943354237015166 (1.71622% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009300901104504688 (1.41601% change) + iteration 47: trace = 0.0009300901235595421 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. - iteration 48: trace = 0.00089222882172979 (4.15529% change) + iteration 48: trace = 0.0008922288348162437 (4.15529% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008402236657553657 (6.00365% change) + iteration 49: trace = 0.0008402236786248237 (6.00365% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0008215818401916776 (2.24356% change) + iteration 50: trace = 0.0008215818528832003 (2.24356% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008154335263502658 (0.751161% change) + iteration 51: trace = 0.0008154335389685196 (0.751161% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008063589903628583 (1.11907% change) + iteration 52: trace = 0.0008063590029084615 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007846792731413529 (2.72523% change) + iteration 53: trace = 0.000784679285628749 (2.72523% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.000768317837295277 (2.10708% change) + iteration 54: trace = 0.0007683178497659083 (2.10708% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007629615120579575 (0.699588% change) + iteration 55: trace = 0.0007629615245081469 (0.699588% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007583989589652365 (0.599799% change) + iteration 56: trace = 0.0007583989713872566 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007447092724235094 (1.82152% change) + iteration 57: trace = 0.0007447092847867087 (1.82152% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007205764025318598 (3.29395% change) + iteration 58: trace = 0.0007205764148131018 (3.29395% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007087748269204777 (1.65132% change) + iteration 59: trace = 0.0007087748391318638 (1.65132% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0007038858072162644 (0.692172% change) + iteration 60: trace = 0.0007038858193829798 (0.692172% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006965316746020617 (1.05028% change) + iteration 61: trace = 0.0006965316867013873 (1.05028% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006821310514575978 (2.08907% change) + iteration 62: trace = 0.000682131063403791 (2.08907% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006732272384762677 (1.31387% change) + iteration 63: trace = 0.000673227250291219 (1.31387% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006706397158021367 (0.385086% change) + iteration 64: trace = 0.0006706397275826058 (0.385086% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006687664837587572 (0.279711% change) + iteration 65: trace = 0.000668766495541807 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006635582507514787 (0.781826% change) + iteration 66: trace = 0.0006635582625713897 (0.781826% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006532764406302264 (1.56159% change) + iteration 67: trace = 0.0006532764523630681 (1.56159% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006474716240992867 (0.892535% change) + iteration 68: trace = 0.0006474716356827301 (0.892535% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006450938464760763 (0.367916% change) + iteration 69: trace = 0.0006450938580197538 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006443641242639965 (0.113183% change) + iteration 70: trace = 0.0006443641358044016 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006405250656691629 (0.59757% change) + iteration 71: trace = 0.000640525077187094 (0.59757% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006341861310018571 (0.994568% change) + iteration 72: trace = 0.0006341861459371877 (0.994567% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006251090508931411 (1.44161% change) + iteration 73: trace = 0.0006251090623055692 (1.44161% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006222593592231807 (0.456913% change) + iteration 74: trace = 0.0006222593712666321 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005998530361937158 (3.66682% change) + iteration 75: trace = 0.000599853047422651 (3.66682% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005843776608078627 (2.61357% change) + iteration 76: trace = 0.0005843776721892269 (2.61357% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005836056777493907 (0.132191% change) + iteration 77: trace = 0.0005836056887256307 (0.132191% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005831765035536832 (0.0735654% change) + iteration 78: trace = 0.0005831765145365822 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005777134877799168 (0.941177% change) + iteration 79: trace = 0.0005777134988161396 (0.941177% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005735210724651654 (0.728334% change) + iteration 80: trace = 0.0005735210833033399 (0.728334% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.000572950170249479 (0.0995929% change) + iteration 81: trace = 0.0005729501811560183 (0.0995929% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005724824548323525 (0.0816662% change) + iteration 82: trace = 0.0005724824656890279 (0.0816662% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005716748702563557 (0.141167% change) + iteration 83: trace = 0.0005716748811385896 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005689973259428325 (0.469468% change) + iteration 84: trace = 0.0005689973367348973 (0.469468% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005688164250848475 (0.031798% change) + iteration 85: trace = 0.0005688164359378014 (0.031798% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005685240979241484 (0.0514054% change) + iteration 86: trace = 0.0005685241086948509 (0.0514054% change) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005680601598486073 (0.0816373% change) + iteration 87: trace = 0.0005680601706818471 (0.0816372% change) linmin: converged after 4 iterations. - iteration 88: trace = 0.0005674452518002897 (0.108306% change) + iteration 88: trace = 0.0005674452625847519 (0.108306% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005673892407550663 (0.00987123% change) - large trace change predicted (0.046611%) + iteration 89: trace = 0.0005673892515685824 (0.00987122% change) + large trace change predicted (0.0466111%) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005671245000603766 (0.0466703% change) + iteration 90: trace = 0.0005671245107265056 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005662735233497347 (0.150164% change) + iteration 91: trace = 0.0005662735341356239 (0.150164% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0005659201234487485 (0.0624275% change) + iteration 92: trace = 0.0005659201341644 (0.0624275% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005658242095445518 (0.0169497% change) - large trace change predicted (0.0719273%) + iteration 93: trace = 0.0005658242203232565 (0.0169497% change) + large trace change predicted (0.0719274%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0005654172619089741 (0.0719471% change) + iteration 94: trace = 0.0005654172724862558 (0.0719471% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0005652372569088804 (0.0318408% change) + iteration 95: trace = 0.0005652372676748471 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005647224524696528 (0.0911191% change) + iteration 96: trace = 0.0005647224630764961 (0.0911191% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005645479760857395 (0.0309007% change) + iteration 97: trace = 0.0005645479868322593 (0.0309007% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005643908474158557 (0.0278365% change) + iteration 98: trace = 0.0005643908579165657 (0.0278366% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0005641061311855421 (0.0504594% change) + iteration 99: trace = 0.0005641061419382308 (0.0504593% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005639955064155911 (0.0196126% change) + iteration 100: trace = 0.0005639955171002747 (0.0196126% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005639228512580232 (0.0128831% change) + iteration 101: trace = 0.0005639228619948146 (0.012883% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005638118778751996 (0.0196808% change) + iteration 102: trace = 0.0005638118885827305 (0.0196808% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005638049865089762 (0.00122229% change) + iteration 103: trace = 0.0005638049972376717 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. - iteration 104: trace = 0.0005637413373947629 (0.0112898% change) + iteration 104: trace = 0.0005637413480909509 (0.0112899% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0005637272003570407 (0.00250775% change) + iteration 105: trace = 0.0005637272110879312 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005636328701905146 (0.0167347% change) + iteration 106: trace = 0.0005636328809173329 (0.0167347% change) linmin: converged after 2 iterations. - iteration 107: trace = 0.0005636302031810029 (0.000473183% change) + iteration 107: trace = 0.0005636302139017894 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. - iteration 108: trace = 0.0005635667907629519 (0.0112513% change) + iteration 108: trace = 0.0005635668014342314 (0.0112514% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.0005635621975576329 (0.000815027% change) + iteration 109: trace = 0.0005635622082828341 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005635057562367899 (0.0100156% change) + iteration 110: trace = 0.0005635057669609862 (0.0100156% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005635037657161913 (0.000353239% change) + iteration 111: trace = 0.0005635037764395068 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005634889554967986 (0.00262827% change) + iteration 112: trace = 0.0005634889662202358 (0.00262827% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005634882500207041 (0.000125198% change) - large trace change predicted (0.00291265%) + iteration 113: trace = 0.0005634882607326908 (0.0001252% change) + large trace change predicted (0.00291264%) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005634718368606323 (0.00291282% change) + iteration 114: trace = 0.0005634718475843487 (0.00291282% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005634714629588591 (6.63568e-05% change) + iteration 115: trace = 0.0005634714736823217 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005634658359835452 (0.000998631% change) + iteration 116: trace = 0.0005634658467070847 (0.000998631% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005634622611012143 (0.000634447% change) + iteration 117: trace = 0.0005634622717781715 (0.000634456% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005634592206841031 (0.000539597% change) + iteration 118: trace = 0.0005634592314072815 (0.000539589% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005634586717534609 (9.74216e-05% change) - large trace change predicted (0.00131779%) + iteration 119: trace = 0.0005634586824729545 (9.74222e-05% change) + large trace change predicted (0.00131778%) linmin: converged after 2 iterations. - iteration 120: trace = 0.000563451246499804 (0.00131781% change) + iteration 120: trace = 0.0005634512572225861 (0.00131781% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005634495308804212 (0.000304485% change) + iteration 121: trace = 0.0005634495415996299 (0.000304485% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005634488859421463 (0.000114463% change) - large trace change predicted (0.000368047%) + iteration 122: trace = 0.0005634488966648234 (0.000114462% change) + large trace change predicted (0.000368054%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005634468122471659 (0.000368037% change) + iteration 123: trace = 0.0005634468229277085 (0.000368044% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005634442896276727 (0.000447713% change) + iteration 124: trace = 0.0005634443003502043 (0.000447706% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005634433217870025 (0.000171772% change) + iteration 125: trace = 0.0005634433325083359 (0.000171773% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005634428100498415 (9.08232e-05% change) + iteration 126: trace = 0.0005634428207723466 (9.0823e-05% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.000563442286896471 (9.28495e-05% change) + iteration 127: trace = 0.0005634422976099442 (9.28511e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005634419936475005 (5.2046e-05% change) + iteration 128: trace = 0.0005634420043699671 (5.20444e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005634418360346279 (2.79732e-05% change) + iteration 129: trace = 0.0005634418467569304 (2.79733e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005634417906624986 (8.05267e-06% change) + iteration 130: trace = 0.0005634418013849211 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005634415958488791 (3.45756e-05% change) + iteration 131: trace = 0.0005634416065711369 (3.45757e-05% change) linmin: converged after 1 iterations. - iteration 132: trace = 0.0005634415811014236 (2.61739e-06% change) + iteration 132: trace = 0.0005634415918236819 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005634414122970389 (2.99595e-05% change) + iteration 133: trace = 0.0005634414230192412 (2.99595e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005634413950827437 (3.05521e-06% change) + iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005634412565880829 (2.45801e-05% change) + iteration 135: trace = 0.0005634412673104865 (2.45801e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005634412488816005 (1.36775e-06% change) - large trace change predicted (3.3994e-05%) + iteration 136: trace = 0.0005634412596039256 (1.36777e-06% change) + large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005634410573433432 (3.39944e-05% change) + iteration 137: trace = 0.0005634410680651487 (3.39945e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005634410448110749 (2.22424e-06% change) + iteration 138: trace = 0.0005634410555334601 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005634409992211973 (8.09133e-06% change) + iteration 139: trace = 0.0005634410099435853 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0005634409924951389 (1.19375e-06% change) - large trace change predicted (4.46351e-06%) + iteration 140: trace = 0.000563441003217511 (1.19375e-06% change) + large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. - iteration 141: trace = 0.0005634409673459414 (4.4635e-06% change) + iteration 141: trace = 0.0005634409780683253 (4.4635e-06% change) linmin: converged after 2 iterations. - iteration 142: trace = 0.000563440954752899 (2.23502e-06% change) - large trace change predicted (1.00798e-05%) + iteration 142: trace = 0.0005634409654746167 (2.23514e-06% change) + large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. - iteration 143: trace = 0.0005634408979593727 (1.00798e-05% change) + iteration 143: trace = 0.0005634409086817542 (1.00796e-05% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0005634408714991074 (4.69619e-06% change) + iteration 144: trace = 0.0005634408822215101 (4.69619e-06% change) linmin: converged after 2 iterations. - iteration 145: trace = 0.0005634408687754137 (4.83404e-07% change) + iteration 145: trace = 0.0005634408794977981 (4.83407e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 -elapsed time for k point: 1.1629788875579834 -total elapsed time for run: 1.1769120693206787 +elapsed time for k point: 6.034660816192627 +total elapsed time for run: 6.091681718826294 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71675,332 +71694,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013400554656982422 +elapsed time for initialization: 0.053855180740356445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.0139627177779028 (199.998% change) + iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988494 (5.03587% change) + iteration 2: trace = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801604 (1.08738% change) + iteration 3: trace = 0.01313325505801896 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373144277 (13.859% change) + iteration 4: trace = 0.01143107373087056 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177223048 (7.81158% change) + iteration 5: trace = 0.0105716917720197 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408587956 (4.41627% change) + iteration 6: trace = 0.01011490408595862 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993403827727 (2.38007% change) + iteration 7: trace = 0.009876993404167896 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068607452543 (11.0124% change) + iteration 8: trace = 0.008846068608249009 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042220838404 (3.78995% change) + iteration 9: trace = 0.008517042221226631 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.00832626873861899 (2.26527% change) + iteration 10: trace = 0.008326268739399675 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915362555521 (16.2501% change) + iteration 11: trace = 0.007074915363949338 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447678772904 (3.34069% change) + iteration 12: trace = 0.006842447679850567 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462856663876 (2.93596% change) + iteration 13: trace = 0.006644462857852558 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909928048 (12.4482% change) + iteration 14: trace = 0.005865808909947778 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406428773 (3.02584% change) + iteration 15: trace = 0.005690964406063527 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169359012 (5.99893% change) + iteration 16: trace = 0.005359509169335739 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608209572242 (16.1067% change) + iteration 17: trace = 0.004560608210191721 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220917649123 (3.05855% change) + iteration 18: trace = 0.004423220918551189 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098766993594 (1.25401% change) + iteration 19: trace = 0.004368098767771778 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892431179084 (15.8687% change) + iteration 20: trace = 0.003725892430793943 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527330652 (12.8349% change) + iteration 21: trace = 0.003276517527378307 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899153946 (1.80545% change) + iteration 22: trace = 0.003217890899324664 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728573023 (4.05761% change) + iteration 23: trace = 0.003089917728461154 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266622837 (10.234% change) + iteration 24: trace = 0.002789089266770034 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905815715941 (2.84304% change) + iteration 25: trace = 0.00271090581614276 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218652860022 (1.36254% change) + iteration 26: trace = 0.002674218653196001 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014983271 (9.2016% change) + iteration 27: trace = 0.002438971014238784 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189827240201 (18.0982% change) + iteration 28: trace = 0.002034189826722568 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583259006 (5.09195% change) + iteration 29: trace = 0.001933181583173824 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976254398 (1.31119% change) + iteration 30: trace = 0.001907998976199941 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993259559 (3.90492% change) + iteration 31: trace = 0.001834919993046496 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476638622 (7.97636% change) + iteration 32: trace = 0.001694173476539198 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.00164641628660496 (2.85921% change) + iteration 33: trace = 0.001646416286639807 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538462435 (1.48646% change) + iteration 34: trace = 0.001622123538454886 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074622875 (6.01732% change) + iteration 35: trace = 0.0015273660742384 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884523096 (13.6861% change) + iteration 36: trace = 0.001331717884091911 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316411443 (5.88342% change) + iteration 37: trace = 0.001255606316197076 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805986955 (1.88292% change) + iteration 38: trace = 0.001232184805805843 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.0011917097095799 (3.33967% change) + iteration 39: trace = 0.001191709709356282 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433554249 (6.54039% change) + iteration 40: trace = 0.001116235433397763 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.00108243594973899 (3.07454% change) + iteration 41: trace = 0.001082435949683927 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.00107121845045674 (1.04172% change) + iteration 42: trace = 0.001071218450411151 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573834345 (1.92124% change) + iteration 43: trace = 0.001050833573729051 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540753936851 (6.19866% change) + iteration 44: trace = 0.0009876540752039222 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335330215574 (5.44159% change) + iteration 45: trace = 0.0009353335329453021 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.000919090577329504 (1.75181% change) + iteration 46: trace = 0.0009190905772947226 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436033286145 (1.45178% change) + iteration 47: trace = 0.0009058436032717036 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705373148768 (4.27024% change) + iteration 48: trace = 0.0008679705371620204 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908946244975 (6.12453% change) + iteration 49: trace = 0.0008163908945098342 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981010811704082 (2.26571% change) + iteration 50: trace = 0.0007981010811138573 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920809421113702 (0.757164% change) + iteration 51: trace = 0.0007920809420618214 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096984309267 (1.13907% change) + iteration 52: trace = 0.0007831096983610429 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285022641504 (2.79434% change) + iteration 53: trace = 0.0007615285021806699 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271744184 (2.15924% change) + iteration 54: trace = 0.0007452609271391329 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295651155 (0.713536% change) + iteration 55: trace = 0.0007399621295468081 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451061155918 (0.612309% change) + iteration 56: trace = 0.0007354451060916182 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268494247323 (1.86901% change) + iteration 57: trace = 0.0007218268493620257 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564990052765 (3.37686% change) + iteration 58: trace = 0.0006978564989355831 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159289306486 (1.68208% change) + iteration 59: trace = 0.0006862159288848806 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152688499 (0.703002% change) + iteration 60: trace = 0.0006814087152252336 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741507191320719 (1.07085% change) + iteration 61: trace = 0.000674150719073446 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599995940900468 (2.12137% change) + iteration 62: trace = 0.0006599995940308902 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268854088 (1.32012% change) + iteration 63: trace = 0.0006513439268552154 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794914478 (0.387665% change) + iteration 64: trace = 0.0006488237794697233 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461202225589 (0.289814% change) + iteration 65: trace = 0.0006469461201987571 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681506114926 (0.81917% change) + iteration 66: trace = 0.0006416681505726042 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484777095407 (1.58962% change) + iteration 67: trace = 0.0006315484776710645 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136835207942 (0.880242% change) + iteration 68: trace = 0.0006260136834987559 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063576633713 (0.369255% change) + iteration 69: trace = 0.0006237063576440872 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627665605 (0.116147% change) + iteration 70: trace = 0.0006229823627468336 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134326038 (0.611197% change) + iteration 71: trace = 0.0006191863134131451 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344730289698 (1.76809% change) + iteration 72: trace = 0.0006083344731421098 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544199722 (0.71805% change) + iteration 73: trace = 0.0006039819544211147 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.000595348179189886 (1.43977% change) + iteration 74: trace = 0.0005953481801856599 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597295305 (2.76697% change) + iteration 75: trace = 0.0005790998597530178 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393726269 (2.70193% change) + iteration 76: trace = 0.0005636615393937976 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885226191 (0.0682825% change) + iteration 77: trace = 0.0005632767885222335 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234280986 (0.152949% change) + iteration 78: trace = 0.0005624159234887405 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.000557306306080149 (0.912658% change) + iteration 79: trace = 0.0005573063060985239 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786782638 (0.703233% change) + iteration 80: trace = 0.0005534008786990929 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947025942 (0.118661% change) + iteration 81: trace = 0.0005527445947014258 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222164461232 (0.0764439% change) + iteration 82: trace = 0.000552322216445164 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192021391 (0.146053% change) + iteration 83: trace = 0.0005515161192019065 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986329888 (0.452217% change) + iteration 84: trace = 0.0005490276986459375 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231640826 (0.0601381% change) + iteration 85: trace = 0.0005486976231660303 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397404792 (0.0274293% change) + iteration 86: trace = 0.0005485471397362772 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715634857 (0.104762% change) + iteration 87: trace = 0.0005479727715647271 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960650282 (0.085456% change) + iteration 88: trace = 0.0005475046960766316 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469117775 (0.0277752% change) + iteration 89: trace = 0.0005473526469117029 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290895339 (0.013268% change) + iteration 90: trace = 0.0005472800290826607 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158850799 (0.181409% change) + iteration 91: trace = 0.0005462881158843215 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310450219 (0.0306451% change) + iteration 92: trace = 0.0005461207310638469 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005458505698385225 (0.0494814% change) + iteration 93: trace = 0.0005458505698378529 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751148077 (0.0129521% change) + iteration 94: trace = 0.0005457798751033381 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.000545288256175199 (0.090117% change) + iteration 95: trace = 0.000545288256175002 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125263715 (0.0265296% change) + iteration 96: trace = 0.0005451436125592623 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773024997 (0.0932731% change) + iteration 97: trace = 0.0005446353773013098 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000544624754461276 (0.00195047% change) + iteration 98: trace = 0.0005446247544599609 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389623531 (0.0833242% change) + iteration 99: trace = 0.0005441711389643854 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562712972161 (0.0027322% change) + iteration 100: trace = 0.0005441562713011943 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539585996 (0.0235286% change) + iteration 101: trace = 0.0005440282539577455 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.000544022759268954 (0.00101001% change) + iteration 102: trace = 0.0005440227592686041 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908238331 (0.020455% change) + iteration 103: trace = 0.0005439114908242292 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442552366 (0.00114846% change) + iteration 104: trace = 0.0005439052442571621 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202165299 (0.0118822% change) + iteration 105: trace = 0.0005438406202163108 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058492408 (0.000664603% change) + iteration 106: trace = 0.0005438370058488941 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005437529696057079 (0.0154537% change) + iteration 107: trace = 0.000543752969605734 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838653024 (0.000328411% change) + iteration 108: trace = 0.0005437511838656576 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886019079867 (0.01151% change) + iteration 109: trace = 0.0005436886019064124 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.000543685205707564 (0.000624661% change) + iteration 110: trace = 0.0005436852057075105 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752387429 (0.00986474% change) + iteration 111: trace = 0.0005436315752403894 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958334151 (0.000566452% change) + iteration 112: trace = 0.0005436284958334678 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.000543616907121843 (0.00213176% change) + iteration 113: trace = 0.0005436169071213004 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200508196 (0.000181575% change) + iteration 114: trace = 0.0005436159200508085 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613030362 (0.00286213% change) + iteration 115: trace = 0.0005436003613040285 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227760433 (0.000246234% change) - large trace change predicted (0.00070207%) + iteration 116: trace = 0.0005435990227760772 (0.000246234% change) + large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063733386 (0.000702065% change) + iteration 117: trace = 0.0005435952063723431 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072443479 (0.000349365% change) - large trace change predicted (0.000866677%) + iteration 118: trace = 0.0005435933072443747 (0.000349365% change) + large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960685232 (0.000866677% change) + iteration 119: trace = 0.0005435885960693559 (0.000866676% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257154622 (0.000215301% change) + iteration 120: trace = 0.0005435874257155064 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826998303329 (0.000869392% change) + iteration 121: trace = 0.0005435826998290416 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841363563 (0.000370817% change) + iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.000543579445433883 (0.000227879% change) + iteration 123: trace = 0.0005435794454345423 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840929086 (0.00025044% change) + iteration 124: trace = 0.0005435780840929133 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.00054357548636822 (0.000477895% change) + iteration 125: trace = 0.0005435754863673889 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742830251029 (0.000221376% change) + iteration 126: trace = 0.000543574283025115 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402261877 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402264217 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.000543572859358711 (0.000217242% change) + iteration 128: trace = 0.0005435728593587195 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903939424 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903938972 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005435721077550543 (0.000125584% change) + iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965418547 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965418716 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898996097 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898996194 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754107123 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754107097 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432018567 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432018648 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717317225109 (2.11184e-06% change) + iteration 135: trace = 0.0005435717317225318 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196955692 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196955803 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102491742 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102491758 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960225137 (2.10141e-05% change) + iteration 138: trace = 0.0005435714960225187 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922125518 (7.00913e-07% change) + iteration 139: trace = 0.0005435714922125636 (7.00911e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.1555941104888916 -total elapsed time for run: 1.1691360473632812 +elapsed time for k point: 4.3236963748931885 +total elapsed time for run: 4.377725601196289 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72080,331 +72099,331 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013576030731201172 +elapsed time for initialization: 0.0212709903717041 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396274532345199 (199.998% change) + iteration 1: trace = 0.01396274532346681 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327678895735416 (5.03648% change) + iteration 2: trace = 0.01327678895732442 (5.03648% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313363091081478 (1.0841% change) + iteration 3: trace = 0.01313363091101133 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143038892773263 (13.8678% change) + iteration 4: trace = 0.01143038892843357 (13.8678% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057238111512836 (7.79909% change) + iteration 5: trace = 0.01057238111590396 (7.79909% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011752134264548 (4.39693% change) + iteration 6: trace = 0.01011752134392836 (4.39693% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.00987943278063535 (2.38125% change) + iteration 7: trace = 0.009879432781382317 (2.38125% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.00885106110892064 (10.9807% change) + iteration 8: trace = 0.008851061110265412 (10.9807% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008522952952031241 (3.777% change) + iteration 9: trace = 0.008522952954569507 (3.777% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008335408560051114 (2.22494% change) + iteration 10: trace = 0.008335408563637261 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007087003145631657 (16.1895% change) + iteration 11: trace = 0.007087003149811437 (16.1895% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.00685414605224165 (3.34057% change) + iteration 12: trace = 0.006854146056769756 (3.34057% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006657474924917567 (2.91114% change) + iteration 13: trace = 0.006657474929944862 (2.91114% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005882487142524704 (12.3603% change) + iteration 14: trace = 0.005882487151458949 (12.3603% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005708413859144998 (3.00362% change) + iteration 15: trace = 0.005708413869126732 (3.00362% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005376848399666821 (5.98209% change) + iteration 16: trace = 0.005376848409038072 (5.98209% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004576121718146103 (16.0902% change) + iteration 17: trace = 0.004576121725483166 (16.0902% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004438061810781949 (3.06317% change) + iteration 18: trace = 0.004438061817300529 (3.06317% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.00438316601402464 (1.24463% change) + iteration 19: trace = 0.004383166020863904 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003741707616867863 (15.79% change) + iteration 20: trace = 0.003741707625962468 (15.79% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003291730456564279 (12.7954% change) + iteration 21: trace = 0.003291730464672096 (12.7954% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003232963605492641 (1.80137% change) + iteration 22: trace = 0.003232963613330976 (1.80137% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003104832642680174 (4.04339% change) + iteration 23: trace = 0.003104832650860507 (4.04339% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002803732815933639 (10.192% change) + iteration 24: trace = 0.002803732823570167 (10.192% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002725499787831527 (2.8298% change) + iteration 25: trace = 0.002725499795014969 (2.8298% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002688778920353689 (1.35645% change) + iteration 26: trace = 0.002688778927662695 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002453217035233222 (9.16227% change) + iteration 27: trace = 0.002453217044062932 (9.16227% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002048239450115387 (17.9932% change) + iteration 28: trace = 0.002048239458495249 (17.9932% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001947146658689011 (5.06048% change) + iteration 29: trace = 0.001947146666345405 (5.06048% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001921857255198897 (1.30728% change) + iteration 30: trace = 0.001921857262743795 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001848427630163147 (3.89518% change) + iteration 31: trace = 0.001848427637753061 (3.89518% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001707910796829429 (7.90233% change) + iteration 32: trace = 0.001707910804402407 (7.90233% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001660392694279697 (2.82149% change) + iteration 33: trace = 0.001660392701795978 (2.82149% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001636012390877175 (1.47921% change) + iteration 34: trace = 0.00163601239841142 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001540609381198778 (6.00657% change) + iteration 35: trace = 0.001540609388946792 (6.00657% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001345179659130357 (13.5443% change) + iteration 36: trace = 0.001345179667105351 (13.5443% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001269484303369937 (5.79006% change) + iteration 37: trace = 0.001269484311269727 (5.79006% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.00124595473258455 (1.87081% change) + iteration 38: trace = 0.001245954740368374 (1.87081% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001204877453793583 (3.35211% change) + iteration 39: trace = 0.001204877461275777 (3.35211% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001128884034380323 (6.51253% change) + iteration 40: trace = 0.001128884041444548 (6.51253% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001095136820478046 (3.03479% change) + iteration 41: trace = 0.001095136827422327 (3.03479% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001083916125271786 (1.02987% change) + iteration 42: trace = 0.001083916132202665 (1.02987% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001063426112071413 (1.90841% change) + iteration 43: trace = 0.001063426119037512 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009999651536852572 (6.15113% change) + iteration 44: trace = 0.0009999651606262207 (6.15113% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009474780881622484 (5.39036% change) + iteration 45: trace = 0.0009474780948363509 (5.39036% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009311870143909756 (1.73432% change) + iteration 46: trace = 0.0009311870209754286 (1.73432% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009179318538772493 (1.43367% change) + iteration 47: trace = 0.0009179318604942043 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. - iteration 48: trace = 0.000880068055644531 (4.21177% change) + iteration 48: trace = 0.0008800680624236033 (4.21177% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008282748430209194 (6.06356% change) + iteration 49: trace = 0.0008282748496241889 (6.06356% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0008098098586010984 (2.25446% change) + iteration 50: trace = 0.0008098098650128671 (2.25446% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008037279013024407 (0.753866% change) + iteration 51: trace = 0.000803727907667054 (0.753866% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007947097569508062 (1.12837% change) + iteration 52: trace = 0.0007947097633189683 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007730802219368811 (2.75924% change) + iteration 53: trace = 0.0007730802283003459 (2.75924% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007567571063197923 (2.13397% change) + iteration 54: trace = 0.0007567571125824832 (2.13397% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.000751426980649221 (0.706827% change) + iteration 55: trace = 0.0007514269868695347 (0.706827% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007468879897502856 (0.605879% change) + iteration 56: trace = 0.0007468879959671537 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007332382876161394 (1.8444% change) + iteration 57: trace = 0.00073323829387571 (1.8444% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007091847681686304 (3.33515% change) + iteration 58: trace = 0.0007091847744003555 (3.33515% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.000697460113919857 (1.66704% change) + iteration 59: trace = 0.0006974601200729702 (1.66704% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006926125195355992 (0.697459% change) + iteration 60: trace = 0.0006926125256631087 (0.697459% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006853107633063429 (1.05982% change) + iteration 61: trace = 0.0006853107694293103 (1.05982% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006710414539639322 (2.10407% change) + iteration 62: trace = 0.0006710414600158428 (2.10407% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006622634805351842 (1.31672% change) + iteration 63: trace = 0.0006622634864719859 (1.31672% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006597098183746356 (0.386341% change) + iteration 64: trace = 0.000659709824279411 (0.386341% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006578341833856041 (0.284717% change) + iteration 65: trace = 0.0006578341892949849 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006525900666344896 (0.800369% change) + iteration 66: trace = 0.0006525900725874763 (0.800369% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006423889557766171 (1.57549% change) + iteration 67: trace = 0.000642388961685999 (1.57549% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006367222296475303 (0.886041% change) + iteration 68: trace = 0.0006367222354566554 (0.886041% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006343807315119314 (0.36842% change) + iteration 69: trace = 0.0006343807372973155 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006336539325867029 (0.114634% change) + iteration 70: trace = 0.0006336539383712605 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006298361444676808 (0.604324% change) + iteration 71: trace = 0.0006298361502404347 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006197950705668873 (1.60705% change) + iteration 72: trace = 0.0006197950784855538 (1.60705% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006145237711094804 (0.854123% change) + iteration 73: trace = 0.0006145237767925286 (0.854123% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.00060943528135768 (0.83148% change) - large trace change predicted (3.28751%) + iteration 74: trace = 0.000609435291222769 (0.83148% change) + large trace change predicted (3.28752%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005894510758235764 (3.33379% change) + iteration 75: trace = 0.0005894510813689335 (3.3338% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005738959926328641 (2.67419% change) + iteration 76: trace = 0.000573895998218523 (2.67419% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005734237136369151 (0.0823274% change) + iteration 77: trace = 0.0005734237191076151 (0.0823274% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005728368852598585 (0.10239% change) + iteration 78: trace = 0.0005728368909269688 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005674860345540375 (0.93848% change) + iteration 79: trace = 0.0005674860400195972 (0.93848% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005634781408502864 (0.708757% change) + iteration 80: trace = 0.0005634781462050233 (0.708757% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005628279160634426 (0.115461% change) + iteration 81: trace = 0.0005628279215195455 (0.115461% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.000562401753440582 (0.0757468% change) + iteration 82: trace = 0.0005624017587803822 (0.0757468% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005615784873196465 (0.146491% change) + iteration 83: trace = 0.0005615784927467394 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005590077447160486 (0.458821% change) + iteration 84: trace = 0.0005590077500580899 (0.458821% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005587367968293207 (0.0484812% change) + iteration 85: trace = 0.0005587368022629768 (0.0484812% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005585444822600169 (0.0344255% change) - large trace change predicted (0.0980601%) + iteration 86: trace = 0.0005585444875551931 (0.0344255% change) + large trace change predicted (0.09806%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005579974496586074 (0.0979869% change) + iteration 87: trace = 0.0005579974550874225 (0.0979869% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005574604257531709 (0.0962876% change) + iteration 88: trace = 0.0005574604311120414 (0.0962876% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005573550060506588 (0.0189125% change) + iteration 89: trace = 0.0005573550114442508 (0.0189125% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005572367068811221 (0.0212274% change) + iteration 90: trace = 0.0005572367121219963 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005562649067894762 (0.174548% change) + iteration 91: trace = 0.0005562649121706465 (0.174548% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005560155397419369 (0.0448389% change) + iteration 92: trace = 0.000556015545082571 (0.0448389% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005558214361062283 (0.0349158% change) + iteration 93: trace = 0.0005558214414858337 (0.0349158% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005556746041428932 (0.0264206% change) + iteration 94: trace = 0.0005556746092447472 (0.0264207% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005552475251490131 (0.0768873% change) + iteration 95: trace = 0.0005552475305168484 (0.0768872% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005549565338333275 (0.0524212% change) + iteration 96: trace = 0.0005549565391504256 (0.0524212% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005545759572209267 (0.0686013% change) + iteration 97: trace = 0.0005545759625785963 (0.0686012% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005545580205542874 (0.00323436% change) + iteration 98: trace = 0.0005545580258696537 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005541184588816557 (0.0792948% change) + iteration 99: trace = 0.00055411846426551 (0.0792948% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.000554082736280887 (0.00644695% change) + iteration 100: trace = 0.0005540827416458937 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005539598592354416 (0.0221791% change) + iteration 101: trace = 0.0005539598645882885 (0.0221791% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005539509588129941 (0.0016067% change) + iteration 102: trace = 0.0005539509641368791 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005538429254436012 (0.0195042% change) + iteration 103: trace = 0.0005538429308002455 (0.0195042% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005538212457364587 (0.00391449% change) + iteration 104: trace = 0.0005538212510818653 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005537687439932844 (0.00948036% change) + iteration 105: trace = 0.0005537687493456982 (0.00948036% change) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005537545211433081 (0.00256841% change) + iteration 106: trace = 0.0005537545264203815 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005536775773464506 (0.0138959% change) + iteration 107: trace = 0.0005536775826951027 (0.0138959% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005536699660741084 (0.00137469% change) + iteration 108: trace = 0.000553669971418078 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005536095366249503 (0.0109149% change) + iteration 109: trace = 0.0005536095419715826 (0.0109149% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.000553607371353823 (0.00039112% change) + iteration 110: trace = 0.0005536073766916744 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005535521251509467 (0.00997981% change) + iteration 111: trace = 0.0005535521304989175 (0.00997981% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005535500065698937 (0.000382725% change) + iteration 112: trace = 0.0005535500119166871 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005535377419750228 (0.00221565% change) + iteration 113: trace = 0.0005535377473214596 (0.00221565% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.000553537118418105 (0.000112649% change) + iteration 114: trace = 0.0005535371237610948 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005535205612298634 (0.00299121% change) + iteration 115: trace = 0.0005535205665764986 (0.00299121% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005535202653339104 (5.34571e-05% change) + iteration 116: trace = 0.0005535202706804489 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005535147247990519 (0.00100097% change) + iteration 117: trace = 0.0005535147301455126 (0.00100097% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005535144175622872 (5.55065e-05% change) + iteration 118: trace = 0.0005535144229078263 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005535086196230836 (0.00104748% change) + iteration 119: trace = 0.0005535086249695093 (0.00104748% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005535083215648867 (5.38489e-05% change) - large trace change predicted (0.00126844%) + iteration 120: trace = 0.0005535083269111632 (5.38489e-05% change) + large trace change predicted (0.00126845%) linmin: converged after 2 iterations. - iteration 121: trace = 0.000553501300606613 (0.00126845% change) + iteration 121: trace = 0.0005535013059522839 (0.00126845% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005535011944199211 (1.91845e-05% change) + iteration 122: trace = 0.0005535011997656965 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005534988068541548 (0.000431358% change) + iteration 123: trace = 0.0005534988122002893 (0.000431358% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005534985640390089 (4.38691e-05% change) + iteration 124: trace = 0.0005534985693850606 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005534946117593462 (0.000714057% change) + iteration 125: trace = 0.0005534946171050815 (0.000714057% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005534945788373303 (5.94803e-06% change) + iteration 126: trace = 0.0005534945841831557 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005534932144790149 (0.000246499% change) + iteration 127: trace = 0.0005534932198247533 (0.000246499% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.000553493126824452 (1.58366e-05% change) + iteration 128: trace = 0.000553493132170315 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005534923783125213 (0.000135234% change) + iteration 129: trace = 0.0005534923836579039 (0.000135234% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005534923348362062 (7.85491e-06% change) + iteration 130: trace = 0.0005534923401820729 (7.85482e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005534922186141838 (2.09979e-05% change) + iteration 131: trace = 0.0005534922239600058 (2.0998e-05% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005534922027679995 (2.86295e-06% change) + iteration 132: trace = 0.0005534922081138478 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005534919787108443 (4.04806e-05% change) + iteration 133: trace = 0.0005534919840565487 (4.04807e-05% change) linmin: converged after 1 iterations. - iteration 134: trace = 0.0005534919610224172 (3.19579e-06% change) + iteration 134: trace = 0.0005534919663682659 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005534918303092458 (2.36161e-05% change) + iteration 135: trace = 0.0005534918356550618 (2.36161e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005534918202303496 (1.82097e-06% change) + iteration 136: trace = 0.0005534918255761885 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005534916946538004 (2.26881e-05% change) + iteration 137: trace = 0.0005534916999995888 (2.26881e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005534916896900589 (8.96805e-07% change) + iteration 138: trace = 0.0005534916950358841 (8.96798e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 -elapsed time for k point: 1.0508711338043213 -total elapsed time for run: 1.064584493637085 +elapsed time for k point: 8.136969327926636 +total elapsed time for run: 8.162670373916626 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72484,332 +72503,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013569831848144531 +elapsed time for initialization: 0.04707980155944824 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.0139627177779028 (199.998% change) + iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988494 (5.03587% change) + iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801897 (1.08738% change) + iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373086751 (13.859% change) + iteration 4: trace = 0.0114310737308695 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177201346 (7.81158% change) + iteration 5: trace = 0.01057169177201646 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408595885 (4.41627% change) + iteration 6: trace = 0.01011490408595845 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404162249 (2.38007% change) + iteration 7: trace = 0.009876993404164151 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068608242481 (11.0124% change) + iteration 8: trace = 0.008846068608242092 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221225433 (3.78995% change) + iteration 9: trace = 0.008517042221224369 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.00832626873940006 (2.26527% change) + iteration 10: trace = 0.00832626873939284 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363939102 (16.2501% change) + iteration 11: trace = 0.007074915363951925 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679843291 (3.34069% change) + iteration 12: trace = 0.006842447679848838 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857834297 (2.93596% change) + iteration 13: trace = 0.006644462857865458 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909951857 (12.4482% change) + iteration 14: trace = 0.005865808909926261 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406081024 (3.02584% change) + iteration 15: trace = 0.005690964406031785 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169335017 (5.99893% change) + iteration 16: trace = 0.005359509169313643 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608210192853 (16.1067% change) + iteration 17: trace = 0.004560608210186273 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918544907 (3.05855% change) + iteration 18: trace = 0.004423220918553953 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.00436809876776977 (1.25401% change) + iteration 19: trace = 0.004368098767771484 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430853529 (15.8687% change) + iteration 20: trace = 0.003725892430766089 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527400207 (12.8349% change) + iteration 21: trace = 0.003276517527371248 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899338552 (1.80545% change) + iteration 22: trace = 0.003217890899321256 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728505118 (4.05761% change) + iteration 23: trace = 0.00308991772844423 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.00278908926678575 (10.234% change) + iteration 24: trace = 0.002789089266756519 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905816131881 (2.84304% change) + iteration 25: trace = 0.002710905816141527 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653190542 (1.36254% change) + iteration 26: trace = 0.002674218653192085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014302274 (9.2016% change) + iteration 27: trace = 0.002438971014189333 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826770492 (18.0982% change) + iteration 28: trace = 0.002034189826698968 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583200286 (5.09195% change) + iteration 29: trace = 0.001933181583176571 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976228637 (1.31119% change) + iteration 30: trace = 0.00190799897620217 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.00183491999308899 (3.90492% change) + iteration 31: trace = 0.001834919993028385 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476535552 (7.97636% change) + iteration 32: trace = 0.00169417347652804 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286608148 (2.85921% change) + iteration 33: trace = 0.001646416286642192 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538428941 (1.48646% change) + iteration 34: trace = 0.001622123538455565 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074264647 (6.01732% change) + iteration 35: trace = 0.001527366074215025 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884082528 (13.6861% change) + iteration 36: trace = 0.001331717884077404 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316139796 (5.88342% change) + iteration 37: trace = 0.001255606316203367 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805753894 (1.88292% change) + iteration 38: trace = 0.001232184805812728 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709349359 (3.33967% change) + iteration 39: trace = 0.001191709709351213 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433413492 (6.54039% change) + iteration 40: trace = 0.001116235433389698 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949680086 (3.07454% change) + iteration 41: trace = 0.001082435949684311 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450403025 (1.04172% change) + iteration 42: trace = 0.001071218450412578 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573725929 (1.92124% change) + iteration 43: trace = 0.001050833573725574 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540752137928 (6.19866% change) + iteration 44: trace = 0.0009876540751933365 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329531078 (5.44159% change) + iteration 45: trace = 0.0009353335329439094 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905773000743 (1.75181% change) + iteration 46: trace = 0.0009190905772966321 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032745522 (1.45178% change) + iteration 47: trace = 0.0009058436032717826 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371585446 (4.27024% change) + iteration 48: trace = 0.0008679705371545801 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908945075489 (6.12453% change) + iteration 49: trace = 0.0008163908945060646 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981010811161043 (2.26571% change) + iteration 50: trace = 0.000798101081114812 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000792080942066173 (0.757164% change) + iteration 51: trace = 0.0007920809420631715 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983672058 (1.13907% change) + iteration 52: trace = 0.0007831096983602546 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021840346 (2.79434% change) + iteration 53: trace = 0.0007615285021775451 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271363829 (2.15924% change) + iteration 54: trace = 0.0007452609271389511 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295426494 (0.713536% change) + iteration 55: trace = 0.0007399621295476514 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060879867 (0.612309% change) + iteration 56: trace = 0.0007354451060917822 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493596302 (1.86901% change) + iteration 57: trace = 0.0007218268493590878 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989267484 (3.37686% change) + iteration 58: trace = 0.0006978564989339716 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288712823 (1.68208% change) + iteration 59: trace = 0.0006862159288864979 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152122852 (0.703002% change) + iteration 60: trace = 0.0006814087152271418 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741507190659303 (1.07085% change) + iteration 61: trace = 0.000674150719073478 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599995940317512 (2.12137% change) + iteration 62: trace = 0.000659999594029403 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268576874 (1.32012% change) + iteration 63: trace = 0.0006513439268553819 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794719572 (0.387665% change) + iteration 64: trace = 0.0006488237794704081 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.000646946120200316 (0.289814% change) + iteration 65: trace = 0.0006469461201992004 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505723289 (0.81917% change) + iteration 66: trace = 0.0006416681505717652 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776719334 (1.58962% change) + iteration 67: trace = 0.0006315484776703385 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136835025049 (0.880242% change) + iteration 68: trace = 0.0006260136834994107 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063576482049 (0.369255% change) + iteration 69: trace = 0.000623706357644955 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627508101 (0.116147% change) + iteration 70: trace = 0.0006229823627476594 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134169669 (0.611197% change) + iteration 71: trace = 0.0006191863134140179 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344731408244 (1.76809% change) + iteration 72: trace = 0.0006083344731425919 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544210216 (0.71805% change) + iteration 73: trace = 0.0006039819544212199 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481801536223 (1.43977% change) + iteration 74: trace = 0.0005953481801851204 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597475011 (2.76697% change) + iteration 75: trace = 0.0005790998597526523 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.000563661539392829 (2.70193% change) + iteration 76: trace = 0.0005636615393937226 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885221668 (0.0682825% change) + iteration 77: trace = 0.0005632767885226015 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234875802 (0.152948% change) + iteration 78: trace = 0.0005624159234891336 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060928142 (0.912658% change) + iteration 79: trace = 0.0005573063060984972 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786971523 (0.703233% change) + iteration 80: trace = 0.0005534008786979551 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947011478 (0.118661% change) + iteration 81: trace = 0.0005527445947018674 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222164450896 (0.0764439% change) + iteration 82: trace = 0.0005523222164449861 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192017575 (0.146053% change) + iteration 83: trace = 0.0005515161192022787 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986448488 (0.452217% change) + iteration 84: trace = 0.0005490276986448244 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231663225 (0.0601381% change) + iteration 85: trace = 0.0005486976231663844 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397363912 (0.0274293% change) + iteration 86: trace = 0.0005485471397361475 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.00054797277156531 (0.104762% change) + iteration 87: trace = 0.0005479727715651105 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960758408 (0.085456% change) + iteration 88: trace = 0.0005475046960760042 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469120759 (0.0277752% change) + iteration 89: trace = 0.0005473526469120577 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290829545 (0.013268% change) + iteration 90: trace = 0.0005472800290825545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.000546288115884633 (0.181409% change) + iteration 91: trace = 0.0005462881158847318 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310624986 (0.0306451% change) + iteration 92: trace = 0.0005461207310630182 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569838057 (0.0494814% change) + iteration 93: trace = 0.000545850569838275 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751035619 (0.0129521% change) + iteration 94: trace = 0.0005457798751032034 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561753853 (0.090117% change) + iteration 95: trace = 0.0005452882561753553 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125567934 (0.0265296% change) + iteration 96: trace = 0.0005451436125577784 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773016689 (0.0932731% change) + iteration 97: trace = 0.0005446353773016382 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005446247544603179 (0.00195047% change) + iteration 98: trace = 0.000544624754460285 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389648254 (0.0833242% change) + iteration 99: trace = 0.000544171138964733 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562713014303 (0.0027322% change) + iteration 100: trace = 0.0005441562713014224 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539581085 (0.0235286% change) + iteration 101: trace = 0.0005440282539580667 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592689692 (0.00101001% change) + iteration 102: trace = 0.0005440227592689511 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908246065 (0.020455% change) + iteration 103: trace = 0.0005439114908245811 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442574044 (0.00114846% change) + iteration 104: trace = 0.0005439052442574365 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202166836 (0.0118822% change) + iteration 105: trace = 0.0005438406202166483 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058492653 (0.000664603% change) + iteration 106: trace = 0.0005438370058492213 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005437529696061 (0.0154537% change) + iteration 107: trace = 0.000543752969606081 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838659921 (0.000328411% change) + iteration 108: trace = 0.0005437511838659896 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.000543688601906758 (0.01151% change) + iteration 109: trace = 0.0005436886019066989 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852057078505 (0.000624661% change) + iteration 110: trace = 0.0005436852057078555 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752406215 (0.00986474% change) + iteration 111: trace = 0.0005436315752406818 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958338397 (0.000566453% change) + iteration 112: trace = 0.0005436284958338378 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.000543616907121645 (0.00213176% change) + iteration 113: trace = 0.0005436169071216281 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200511469 (0.000181575% change) + iteration 114: trace = 0.0005436159200511556 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613042785 (0.00286213% change) + iteration 115: trace = 0.0005436003613043309 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227764095 (0.000246234% change) + iteration 116: trace = 0.0005435990227764261 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063727 (0.000702065% change) + iteration 117: trace = 0.0005435952063726551 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072447147 (0.000349365% change) + iteration 118: trace = 0.0005435933072447255 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960696185 (0.000866677% change) + iteration 119: trace = 0.0005435885960696665 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257158403 (0.000215302% change) + iteration 120: trace = 0.0005435874257158562 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.000543582699829404 (0.000869392% change) + iteration 121: trace = 0.0005435826998293409 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841367057 (0.000370817% change) + iteration 122: trace = 0.0005435806841367159 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794454348219 (0.000227878% change) + iteration 123: trace = 0.0005435794454348627 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840932601 (0.000250441% change) + iteration 124: trace = 0.0005435780840932716 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863677432 (0.000477895% change) + iteration 125: trace = 0.0005435754863677042 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742830254499 (0.000221376% change) + iteration 126: trace = 0.0005435742830254604 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593590561 (0.000217242% change) + iteration 128: trace = 0.0005435728593590648 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.000543572107755401 (0.000125584% change) + iteration 130: trace = 0.000543572107755412 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) + iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) + iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) + iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) + iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.3339262008666992 -total elapsed time for run: 1.3476383686065674 +elapsed time for k point: 12.35654616355896 +total elapsed time for run: 12.40384578704834 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72889,336 +72908,336 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013219833374023438 +elapsed time for initialization: 0.040979862213134766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.0139627177779028 (199.998% change) + iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988494 (5.03587% change) + iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801897 (1.08738% change) + iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373086751 (13.859% change) + iteration 4: trace = 0.0114310737308695 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177201346 (7.81158% change) + iteration 5: trace = 0.01057169177201646 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408595885 (4.41627% change) + iteration 6: trace = 0.01011490408595845 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404162249 (2.38007% change) + iteration 7: trace = 0.009876993404164151 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068608242481 (11.0124% change) + iteration 8: trace = 0.008846068608242092 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221225433 (3.78995% change) + iteration 9: trace = 0.008517042221224369 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.00832626873940006 (2.26527% change) + iteration 10: trace = 0.00832626873939284 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363939102 (16.2501% change) + iteration 11: trace = 0.007074915363951925 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679843291 (3.34069% change) + iteration 12: trace = 0.006842447679848838 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857834297 (2.93596% change) + iteration 13: trace = 0.006644462857865458 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909951857 (12.4482% change) + iteration 14: trace = 0.005865808909926261 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406081024 (3.02584% change) + iteration 15: trace = 0.005690964406031785 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169335017 (5.99893% change) + iteration 16: trace = 0.005359509169313643 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608210192853 (16.1067% change) + iteration 17: trace = 0.004560608210186273 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918544907 (3.05855% change) + iteration 18: trace = 0.004423220918553953 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.00436809876776977 (1.25401% change) + iteration 19: trace = 0.004368098767771484 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430853529 (15.8687% change) + iteration 20: trace = 0.003725892430766089 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527400207 (12.8349% change) + iteration 21: trace = 0.003276517527371248 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899338552 (1.80545% change) + iteration 22: trace = 0.003217890899321256 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728505118 (4.05761% change) + iteration 23: trace = 0.00308991772844423 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.00278908926678575 (10.234% change) + iteration 24: trace = 0.002789089266756519 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905816131881 (2.84304% change) + iteration 25: trace = 0.002710905816141527 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653190542 (1.36254% change) + iteration 26: trace = 0.002674218653192085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014302274 (9.2016% change) + iteration 27: trace = 0.002438971014189333 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826770492 (18.0982% change) + iteration 28: trace = 0.002034189826698968 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583200286 (5.09195% change) + iteration 29: trace = 0.001933181583176571 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976228637 (1.31119% change) + iteration 30: trace = 0.00190799897620217 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.00183491999308899 (3.90492% change) + iteration 31: trace = 0.001834919993028385 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476535552 (7.97636% change) + iteration 32: trace = 0.00169417347652804 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286608148 (2.85921% change) + iteration 33: trace = 0.001646416286642192 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538428941 (1.48646% change) + iteration 34: trace = 0.001622123538455565 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074264647 (6.01732% change) + iteration 35: trace = 0.001527366074215025 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884082528 (13.6861% change) + iteration 36: trace = 0.001331717884077404 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316139796 (5.88342% change) + iteration 37: trace = 0.001255606316203367 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805753894 (1.88292% change) + iteration 38: trace = 0.001232184805812728 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709349359 (3.33967% change) + iteration 39: trace = 0.001191709709351213 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433413492 (6.54039% change) + iteration 40: trace = 0.001116235433389698 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949680086 (3.07454% change) + iteration 41: trace = 0.001082435949684311 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450403025 (1.04172% change) + iteration 42: trace = 0.001071218450412578 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573725929 (1.92124% change) + iteration 43: trace = 0.001050833573725574 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540752137928 (6.19866% change) + iteration 44: trace = 0.0009876540751933365 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329531078 (5.44159% change) + iteration 45: trace = 0.0009353335329439094 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905773000743 (1.75181% change) + iteration 46: trace = 0.0009190905772966321 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032745522 (1.45178% change) + iteration 47: trace = 0.0009058436032717826 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371585446 (4.27024% change) + iteration 48: trace = 0.0008679705371545801 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908945075489 (6.12453% change) + iteration 49: trace = 0.0008163908945060646 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981010811161043 (2.26571% change) + iteration 50: trace = 0.000798101081114812 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000792080942066173 (0.757164% change) + iteration 51: trace = 0.0007920809420631715 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983672058 (1.13907% change) + iteration 52: trace = 0.0007831096983602546 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021840346 (2.79434% change) + iteration 53: trace = 0.0007615285021775451 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271363829 (2.15924% change) + iteration 54: trace = 0.0007452609271389511 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295426494 (0.713536% change) + iteration 55: trace = 0.0007399621295476514 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060879867 (0.612309% change) + iteration 56: trace = 0.0007354451060917822 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493596302 (1.86901% change) + iteration 57: trace = 0.0007218268493590878 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989267484 (3.37686% change) + iteration 58: trace = 0.0006978564989339716 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288712823 (1.68208% change) + iteration 59: trace = 0.0006862159288864979 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152122852 (0.703002% change) + iteration 60: trace = 0.0006814087152271418 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741507190659303 (1.07085% change) + iteration 61: trace = 0.000674150719073478 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599995940317512 (2.12137% change) + iteration 62: trace = 0.000659999594029403 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268576874 (1.32012% change) + iteration 63: trace = 0.0006513439268553819 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794719572 (0.387665% change) + iteration 64: trace = 0.0006488237794704081 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.000646946120200316 (0.289814% change) + iteration 65: trace = 0.0006469461201992004 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505723289 (0.81917% change) + iteration 66: trace = 0.0006416681505717652 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776719334 (1.58962% change) + iteration 67: trace = 0.0006315484776703385 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136835025049 (0.880242% change) + iteration 68: trace = 0.0006260136834994107 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063576482049 (0.369255% change) + iteration 69: trace = 0.000623706357644955 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627508101 (0.116147% change) + iteration 70: trace = 0.0006229823627476594 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134169669 (0.611197% change) + iteration 71: trace = 0.0006191863134140179 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344731408244 (1.76809% change) + iteration 72: trace = 0.0006083344731425919 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544210216 (0.71805% change) + iteration 73: trace = 0.0006039819544212199 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481801536223 (1.43977% change) + iteration 74: trace = 0.0005953481801851204 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597475011 (2.76697% change) + iteration 75: trace = 0.0005790998597526523 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.000563661539392829 (2.70193% change) + iteration 76: trace = 0.0005636615393937226 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885221668 (0.0682825% change) + iteration 77: trace = 0.0005632767885226015 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234875802 (0.152948% change) + iteration 78: trace = 0.0005624159234891336 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060928142 (0.912658% change) + iteration 79: trace = 0.0005573063060984972 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786971523 (0.703233% change) + iteration 80: trace = 0.0005534008786979551 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947011478 (0.118661% change) + iteration 81: trace = 0.0005527445947018674 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222164450896 (0.0764439% change) + iteration 82: trace = 0.0005523222164449861 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192017575 (0.146053% change) + iteration 83: trace = 0.0005515161192022787 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986448488 (0.452217% change) + iteration 84: trace = 0.0005490276986448244 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231663225 (0.0601381% change) + iteration 85: trace = 0.0005486976231663844 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397363912 (0.0274293% change) + iteration 86: trace = 0.0005485471397361475 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.00054797277156531 (0.104762% change) + iteration 87: trace = 0.0005479727715651105 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960758408 (0.085456% change) + iteration 88: trace = 0.0005475046960760042 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469120759 (0.0277752% change) + iteration 89: trace = 0.0005473526469120577 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290829545 (0.013268% change) + iteration 90: trace = 0.0005472800290825545 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.000546288115884633 (0.181409% change) + iteration 91: trace = 0.0005462881158847318 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310624986 (0.0306451% change) + iteration 92: trace = 0.0005461207310630182 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569838057 (0.0494814% change) + iteration 93: trace = 0.000545850569838275 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751035619 (0.0129521% change) + iteration 94: trace = 0.0005457798751032034 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561753853 (0.090117% change) + iteration 95: trace = 0.0005452882561753553 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125567934 (0.0265296% change) + iteration 96: trace = 0.0005451436125577784 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773016689 (0.0932731% change) + iteration 97: trace = 0.0005446353773016382 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005446247544603179 (0.00195047% change) + iteration 98: trace = 0.000544624754460285 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389648254 (0.0833242% change) + iteration 99: trace = 0.000544171138964733 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562713014303 (0.0027322% change) + iteration 100: trace = 0.0005441562713014224 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539581085 (0.0235286% change) + iteration 101: trace = 0.0005440282539580667 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592689692 (0.00101001% change) + iteration 102: trace = 0.0005440227592689511 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908246065 (0.020455% change) + iteration 103: trace = 0.0005439114908245811 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442574044 (0.00114846% change) + iteration 104: trace = 0.0005439052442574365 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202166836 (0.0118822% change) + iteration 105: trace = 0.0005438406202166483 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058492653 (0.000664603% change) + iteration 106: trace = 0.0005438370058492213 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005437529696061 (0.0154537% change) + iteration 107: trace = 0.000543752969606081 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838659921 (0.000328411% change) + iteration 108: trace = 0.0005437511838659896 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.000543688601906758 (0.01151% change) + iteration 109: trace = 0.0005436886019066989 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852057078505 (0.000624661% change) + iteration 110: trace = 0.0005436852057078555 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752406215 (0.00986474% change) + iteration 111: trace = 0.0005436315752406818 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958338397 (0.000566453% change) + iteration 112: trace = 0.0005436284958338378 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.000543616907121645 (0.00213176% change) + iteration 113: trace = 0.0005436169071216281 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200511469 (0.000181575% change) + iteration 114: trace = 0.0005436159200511556 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613042785 (0.00286213% change) + iteration 115: trace = 0.0005436003613043309 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227764095 (0.000246234% change) + iteration 116: trace = 0.0005435990227764261 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063727 (0.000702065% change) + iteration 117: trace = 0.0005435952063726551 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072447147 (0.000349365% change) + iteration 118: trace = 0.0005435933072447255 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960696185 (0.000866677% change) + iteration 119: trace = 0.0005435885960696665 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257158403 (0.000215302% change) + iteration 120: trace = 0.0005435874257158562 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.000543582699829404 (0.000869392% change) + iteration 121: trace = 0.0005435826998293409 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841367057 (0.000370817% change) + iteration 122: trace = 0.0005435806841367159 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794454348219 (0.000227878% change) + iteration 123: trace = 0.0005435794454348627 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840932601 (0.000250441% change) + iteration 124: trace = 0.0005435780840932716 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863677432 (0.000477895% change) + iteration 125: trace = 0.0005435754863677042 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742830254499 (0.000221376% change) + iteration 126: trace = 0.0005435742830254604 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593590561 (0.000217242% change) + iteration 128: trace = 0.0005435728593590648 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.000543572107755401 (0.000125584% change) + iteration 130: trace = 0.000543572107755412 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change) + iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change) + iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change) + iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change) + iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 1.3716113567352295 -total elapsed time for run: 1.384972095489502 +.elapsed time for k point: 5.337587356567383 +total elapsed time for run: 5.378769874572754 done -/tmp/meepFBAM2J/test_point_defect_state-0: 97.96s +/tmp/meepYM7cP9/test_point_defect_state-0: 479.02s -/tmp/meepFBAM2J/test_poynting-0 +/tmp/meepYM7cP9/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73261,7 +73280,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002454042434692383 +elapsed time for initialization: 0.004141092300415039 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -73372,7 +73391,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.38735079765319824 +elapsed time for k point: 0.8708109855651855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73623,7 +73642,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4666123390197754 +elapsed time for k point: 4.322702169418335 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73680,7 +73699,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09358525276184082 +elapsed time for k point: 1.304142713546753 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73733,7 +73752,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.2667827606201172 +elapsed time for k point: 0.9741556644439697 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73794,7 +73813,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.17325901985168457 +elapsed time for k point: 1.4503202438354492 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73887,7 +73906,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.2697150707244873 +elapsed time for k point: 2.282712936401367 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73958,7 +73977,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.3469357490539551 +elapsed time for k point: 0.5684585571289062 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74019,7 +74038,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.17357802391052246 +elapsed time for k point: 0.764970064163208 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74072,7 +74091,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.2937595844268799 +elapsed time for k point: 0.3530867099761963 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74124,7 +74143,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.27431583404541016 +elapsed time for k point: 0.3619384765625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74178,15 +74197,15 @@ tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) -elapsed time for k point: 0.11298775672912598 -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.2839531898498535 +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74227,7 +74246,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06621050834655762 +elapsed time for k point: 0.7048332691192627 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74274,7 +74293,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.21835851669311523 +elapsed time for k point: 0.3157997131347656 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74337,7 +74356,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10414838790893555 +elapsed time for k point: 0.6080055236816406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74410,7 +74429,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.15735936164855957 +elapsed time for k point: 2.4486563205718994 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74605,7 +74624,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.4990701675415039 +..elapsed time for k point: 4.135464668273926 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -74617,15 +74636,15 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.724714040756226 +total elapsed time for run: 22.787677764892578 done -/tmp/meepFBAM2J/test_poynting-0: 4.73s +/tmp/meepYM7cP9/test_poynting-0: 22.83s -/tmp/meepFBAM2J/test_resolution-0 +/tmp/meepYM7cP9/test_resolution-0 ======================== -/tmp/meepFBAM2J/test_resolution-0: 0.00s +/tmp/meepYM7cP9/test_resolution-0: 0.00s -/tmp/meepFBAM2J/test_run_te-0 +/tmp/meepYM7cP9/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74668,7 +74687,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001630544662475586 +elapsed time for initialization: 0.011660337448120117 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -74779,7 +74798,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.28625965118408203 +elapsed time for k point: 0.7134585380554199 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75030,7 +75049,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.0119752883911133 +elapsed time for k point: 1.5522956848144531 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75087,7 +75106,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.17435193061828613 +elapsed time for k point: 0.3961925506591797 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75140,7 +75159,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08681106567382812 +elapsed time for k point: 1.0704340934753418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75201,7 +75220,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10111713409423828 +elapsed time for k point: 2.020490884780884 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75294,7 +75313,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.25530457496643066 +elapsed time for k point: 2.638373374938965 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75365,7 +75384,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.16813087463378906 +elapsed time for k point: 1.8975870609283447 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75426,7 +75445,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.20375823974609375 +elapsed time for k point: 1.891589879989624 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75479,7 +75498,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08660674095153809 +elapsed time for k point: 1.6911756992340088 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75531,7 +75550,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.24365687370300293 +elapsed time for k point: 0.9320335388183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75583,7 +75602,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.16144800186157227 +elapsed time for k point: 0.5824191570281982 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75624,7 +75643,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0656886100769043 +elapsed time for k point: 0.22542715072631836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75671,7 +75690,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07605242729187012 +elapsed time for k point: 0.26151585578918457 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75734,7 +75753,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.24447131156921387 +elapsed time for k point: 0.6155827045440674 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75807,7 +75826,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1218271255493164 +elapsed time for k point: 0.7446508407592773 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -76002,7 +76021,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.26975131034851074 +.elapsed time for k point: 1.379645586013794 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -76014,11 +76033,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.5602636337280273 +total elapsed time for run: 18.62740135192871 done -/tmp/meepFBAM2J/test_run_te-0: 3.56s +/tmp/meepYM7cP9/test_run_te-0: 18.63s -/tmp/meepFBAM2J/test_run_te_no_geometry-0 +/tmp/meepYM7cP9/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76059,7 +76078,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011518001556396484 +elapsed time for initialization: 0.0025014877319335938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76082,7 +76101,7 @@ iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -elapsed time for k point: 0.1434781551361084 +elapsed time for k point: 0.05795407295227051 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76092,35 +76111,35 @@ iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 -elapsed time for k point: 0.11627006530761719 +elapsed time for k point: 0.13264679908752441 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 -elapsed time for k point: 0.006063938140869141 +elapsed time for k point: 0.04042673110961914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 -elapsed time for k point: 0.13104677200317383 +elapsed time for k point: 0.03104233741760254 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.006005048751831055 +elapsed time for k point: 0.037187814712524414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.0060122013092041016 +elapsed time for k point: 0.03550529479980469 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76130,7 +76149,7 @@ iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 -elapsed time for k point: 0.009534120559692383 +elapsed time for k point: 0.053284645080566406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76140,7 +76159,7 @@ iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 -elapsed time for k point: 0.00953817367553711 +elapsed time for k point: 0.5334832668304443 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76161,21 +76180,21 @@ iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 -elapsed time for k point: 0.030397653579711914 +elapsed time for k point: 0.39955568313598633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 -elapsed time for k point: 0.005991935729980469 +elapsed time for k point: 0.05608868598937988 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 -elapsed time for k point: 0.005997180938720703 +elapsed time for k point: 0.05600595474243164 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76337,35 +76356,35 @@ iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 -elapsed time for k point: 0.41958022117614746 +elapsed time for k point: 2.0380706787109375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 -elapsed time for k point: 0.0060117244720458984 +elapsed time for k point: 0.044234275817871094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 -elapsed time for k point: 0.005996227264404297 +elapsed time for k point: 0.0573420524597168 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 -elapsed time for k point: 0.0060198307037353516 +elapsed time for k point: 0.05309486389160156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -.elapsed time for k point: 0.0047147274017333984 +.elapsed time for k point: 0.03611302375793457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> @@ -76374,11 +76393,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.9145171642303467 +total elapsed time for run: 3.6759824752807617 done -/tmp/meepFBAM2J/test_run_te_no_geometry-0: 0.92s +/tmp/meepYM7cP9/test_run_te_no_geometry-0: 3.68s -/tmp/meepFBAM2J/test_run_te_with_mu_material-0 +/tmp/meepYM7cP9/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76422,7 +76441,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0024056434631347656 +elapsed time for initialization: 0.013953924179077148 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76840,7 +76859,7 @@ iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 1.8770885467529297 +elapsed time for k point: 5.323273420333862 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77209,7 +77228,7 @@ iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 1.8223519325256348 +elapsed time for k point: 6.958764553070068 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77455,7 +77474,7 @@ iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 -elapsed time for k point: 1.3390302658081055 +elapsed time for k point: 3.893739938735962 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77682,7 +77701,7 @@ iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 -elapsed time for k point: 0.6153922080993652 +elapsed time for k point: 8.923452377319336 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78004,3237 +78023,3224 @@ linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. - iteration 153: trace = 6.762501080820078 (0.205165% change) + iteration 153: trace = 6.762501080820075 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. - iteration 155: trace = 6.743925282478449 (0.136994% change) + iteration 155: trace = 6.743925282478452 (0.136994% change) linmin: converged after 4 iterations. - iteration 156: trace = 6.736994478099859 (0.102824% change) + iteration 156: trace = 6.736994478099864 (0.102824% change) linmin: converged after 4 iterations. - iteration 157: trace = 6.732878238745256 (0.0611177% change) + iteration 157: trace = 6.732878238745272 (0.0611177% change) linmin: converged after 4 iterations. - iteration 158: trace = 6.726657933453789 (0.0924297% change) + iteration 158: trace = 6.726657933453791 (0.0924297% change) linmin: converged after 4 iterations. - iteration 159: trace = 6.721195120311204 (0.0812444% change) - linmin: converged after 3 iterations. - iteration 160: trace = 6.717648620160629 (0.0527798% change) - linmin: converged after 9 iterations. - iteration 161: trace = 6.713194200918354 (0.0663312% change) + iteration 159: trace = 6.721195120311202 (0.0812444% change) + linmin: converged after 4 iterations. + iteration 160: trace = 6.717648620160626 (0.0527798% change) + linmin: converged after 4 iterations. + iteration 161: trace = 6.713194200918324 (0.0663312% change) linmin: converged after 4 iterations. - iteration 162: trace = 6.710505504937696 (0.0400589% change) + iteration 162: trace = 6.710505505507571 (0.0400589% change) linmin: converged after 3 iterations. - iteration 163: trace = 6.706901369151968 (0.0537233% change) + iteration 163: trace = 6.706901370255015 (0.0537233% change) linmin: converged after 4 iterations. - iteration 164: trace = 6.705010608085182 (0.0281953% change) + iteration 164: trace = 6.705010608124311 (0.0281953% change) linmin: converged after 3 iterations. - iteration 165: trace = 6.70188765506045 (0.0465873% change) + iteration 165: trace = 6.701887653654738 (0.0465873% change) linmin: converged after 3 iterations. - iteration 166: trace = 6.700031905898658 (0.0276938% change) + iteration 166: trace = 6.700031905240058 (0.0276938% change) linmin: converged after 3 iterations. - iteration 167: trace = 6.697510888054483 (0.037634% change) - linmin: converged after 4 iterations. - iteration 168: trace = 6.695584232456802 (0.0287709% change) + iteration 167: trace = 6.697510883943405 (0.0376341% change) linmin: converged after 3 iterations. - iteration 169: trace = 6.693804055526829 (0.0265909% change) + iteration 168: trace = 6.695584231985491 (0.0287708% change) linmin: converged after 3 iterations. - iteration 170: trace = 6.692039962871821 (0.0263576% change) - linmin: converged after 4 iterations. - iteration 171: trace = 6.690949988840293 (0.0162889% change) + iteration 169: trace = 6.693804050386154 (0.0265909% change) linmin: converged after 3 iterations. - iteration 172: trace = 6.689021225820898 (0.0288306% change) + iteration 170: trace = 6.692039961790896 (0.0263575% change) linmin: converged after 4 iterations. - iteration 173: trace = 6.688226203752949 (0.0118862% change) + iteration 171: trace = 6.690949984623433 (0.016289% change) linmin: converged after 3 iterations. - iteration 174: trace = 6.687474380827883 (0.0112416% change) + iteration 172: trace = 6.68902122164707 (0.0288306% change) + linmin: converged after 5 iterations. + iteration 173: trace = 6.688226203086087 (0.0118861% change) + linmin: converged after 3 iterations. + iteration 174: trace = 6.687474377184295 (0.0112417% change) linmin: converged after 3 iterations. - iteration 175: trace = 6.686715447178671 (0.0113492% change) + iteration 175: trace = 6.686715446510494 (0.0113492% change) linmin: converged after 3 iterations. - iteration 176: trace = 6.68595816141414 (0.0113259% change) + iteration 176: trace = 6.68595815685937 (0.0113259% change) linmin: converged after 3 iterations. - iteration 177: trace = 6.68527986567914 (0.0101456% change) + iteration 177: trace = 6.685279864678321 (0.0101455% change) linmin: converged after 3 iterations. - iteration 178: trace = 6.684926169510021 (0.00529081% change) + iteration 178: trace = 6.68492616710768 (0.00529083% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. - iteration 179: trace = 6.684160014452743 (0.0114616% change) + iteration 179: trace = 6.684160010954856 (0.0114616% change) linmin: converged after 3 iterations. - iteration 180: trace = 6.68379530234466 (0.00545651% change) + iteration 180: trace = 6.683795301710827 (0.00545647% change) linmin: converged after 3 iterations. - iteration 181: trace = 6.683426312215122 (0.00552082% change) + iteration 181: trace = 6.683426309249661 (0.00552085% change) linmin: converged after 3 iterations. - iteration 182: trace = 6.683087980566226 (0.00506238% change) + iteration 182: trace = 6.683087980183506 (0.00506234% change) linmin: converged after 3 iterations. - iteration 183: trace = 6.68276361175373 (0.00485369% change) + iteration 183: trace = 6.682763608494613 (0.00485374% change) linmin: converged after 3 iterations. - iteration 184: trace = 6.682414515266442 (0.00522397% change) + iteration 184: trace = 6.68241451451494 (0.00522393% change) linmin: converged after 3 iterations. - iteration 185: trace = 6.682218187694787 (0.00293802% change) + iteration 185: trace = 6.682218185893361 (0.00293803% change) linmin: converged after 3 iterations. - iteration 186: trace = 6.681916581224351 (0.00451367% change) + iteration 186: trace = 6.681916579890395 (0.00451366% change) linmin: converged after 3 iterations. - iteration 187: trace = 6.681779641167005 (0.00204943% change) + iteration 187: trace = 6.681779640604578 (0.00204942% change) linmin: converged after 5 iterations. - iteration 188: trace = 6.681606953872663 (0.00258448% change) - linmin: converged after 4 iterations. - iteration 189: trace = 6.681488504563664 (0.00177278% change) + iteration 188: trace = 6.681606952405319 (0.0025845% change) linmin: converged after 3 iterations. - iteration 190: trace = 6.681358272366602 (0.00194917% change) - linmin: converged after 10 iterations. - iteration 191: trace = 6.681230235500497 (0.00191635% change) + iteration 189: trace = 6.681488504299757 (0.00177276% change) + linmin: converged after 3 iterations. + iteration 190: trace = 6.681358270711396 (0.00194919% change) + linmin: converged after 19 iterations. + iteration 191: trace = 6.681230235127352 (0.00191633% change) linmin: converged after 5 iterations. - iteration 192: trace = 6.6811288270835 (0.00151782% change) + iteration 192: trace = 6.681128825531117 (0.00151784% change) linmin: converged after 4 iterations. - iteration 193: trace = 6.680953874347516 (0.00261864% change) + iteration 193: trace = 6.680953873403051 (0.00261864% change) linmin: converged after 3 iterations. - iteration 194: trace = 6.680873367074792 (0.00120503% change) + iteration 194: trace = 6.680873366488424 (0.00120503% change) + linmin: converged after 8 iterations. + iteration 195: trace = 6.680765389287529 (0.00161623% change) linmin: converged after 5 iterations. - iteration 195: trace = 6.680765390544085 (0.00161622% change) - linmin: converged after 9 iterations. - iteration 196: trace = 6.680693385129812 (0.00107781% change) - linmin: converged after 6 iterations. - iteration 197: trace = 6.68062105366074 (0.0010827% change) - linmin: converged after 3 iterations. - iteration 198: trace = 6.680572671849443 (0.000724214% change) - linmin: converged after 3 iterations. - iteration 199: trace = 6.680536490133266 (0.000541597% change) + iteration 196: trace = 6.680693384687361 (0.0010778% change) + linmin: converged after 8 iterations. + iteration 197: trace = 6.680621052228344 (0.00108271% change) + linmin: converged after 4 iterations. + iteration 198: trace = 6.680572671609273 (0.000724196% change) + linmin: converged after 5 iterations. + iteration 199: trace = 6.680536488810626 (0.000541614% change) linmin: converged after 3 iterations. - iteration 200: trace = 6.680481376728336 (0.000824988% change) + iteration 200: trace = 6.680481376118935 (0.000824977% change) linmin: converged after 5 iterations. - iteration 201: trace = 6.680455500315117 (0.000387344% change) + iteration 201: trace = 6.680455499665584 (0.000387345% change) linmin: converged after 3 iterations. - iteration 202: trace = 6.680415642440067 (0.000596636% change) + iteration 202: trace = 6.68041564127453 (0.000596644% change) linmin: converged after 3 iterations. - iteration 203: trace = 6.680384072694054 (0.000472573% change) + iteration 203: trace = 6.680384072110439 (0.000472564% change) linmin: converged after 3 iterations. - iteration 204: trace = 6.680340624959269 (0.00065038% change) + iteration 204: trace = 6.680340622965251 (0.000650401% change) linmin: converged after 3 iterations. - iteration 205: trace = 6.680309707236553 (0.000462818% change) - linmin: converged after 4 iterations. - iteration 206: trace = 6.680284460794091 (0.000377924% change) + iteration 205: trace = 6.680309706798488 (0.000462794% change) linmin: converged after 3 iterations. - iteration 207: trace = 6.680246429982121 (0.000569301% change) + iteration 206: trace = 6.680284458954871 (0.000377945% change) linmin: converged after 3 iterations. - iteration 208: trace = 6.680230558103617 (0.000237594% change) + iteration 207: trace = 6.680246429181477 (0.000569285% change) + linmin: converged after 5 iterations. + iteration 208: trace = 6.680230557518507 (0.000237591% change) linmin: converged after 3 iterations. - iteration 209: trace = 6.680212665706824 (0.000267841% change) + iteration 209: trace = 6.680212664956146 (0.000267844% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 210: trace = 6.680199266929479 (0.000200574% change) + iteration 210: trace = 6.680199266028111 (0.000200577% change) + linmin: converged after 4 iterations. + iteration 211: trace = 6.680176330009624 (0.000343344% change) linmin: converged after 3 iterations. - iteration 211: trace = 6.680176329495439 (0.000343365% change) + iteration 212: trace = 6.680157131936122 (0.000287389% change) + linmin: converged after 4 iterations. + iteration 213: trace = 6.680148385961573 (0.000130925% change) + large trace change predicted (0.0002685%) linmin: converged after 3 iterations. - iteration 212: trace = 6.680157132337356 (0.000287375% change) - linmin: converged after 6 iterations. - iteration 213: trace = 6.680148386202022 (0.000130927% change) - large trace change predicted (0.000268503%) + iteration 214: trace = 6.680130453617168 (0.000268443% change) + linmin: converged after 5 iterations. + iteration 215: trace = 6.680117119527826 (0.000199608% change) + linmin: converged after 4 iterations. + iteration 216: trace = 6.68011165523421 (8.17994e-05% change) linmin: converged after 3 iterations. - iteration 214: trace = 6.680130453713534 (0.000268445% change) + iteration 217: trace = 6.680105070060253 (9.85788e-05% change) linmin: converged after 3 iterations. - iteration 215: trace = 6.680117119837281 (0.000199605% change) + iteration 218: trace = 6.680099229064786 (8.74387e-05% change) + linmin: converged after 9 iterations. + iteration 219: trace = 6.680096911225478 (3.46977e-05% change) linmin: converged after 4 iterations. - iteration 216: trace = 6.680111655384402 (8.18018e-05% change) + iteration 220: trace = 6.680092842385695 (6.09099e-05% change) + linmin: converged after 3 iterations. + iteration 221: trace = 6.680089179732932 (5.48294e-05% change) linmin: converged after 4 iterations. - iteration 217: trace = 6.68010507011362 (9.85803e-05% change) + iteration 222: trace = 6.680087434299887 (2.61289e-05% change) + large trace change predicted (5.58737e-05%) linmin: converged after 3 iterations. - iteration 218: trace = 6.680099229256731 (8.74366e-05% change) + iteration 223: trace = 6.680083701498131 (5.58796e-05% change) linmin: converged after 3 iterations. - iteration 219: trace = 6.680096911351662 (3.46987e-05% change) - linmin: converged after 5 iterations. - iteration 220: trace = 6.680092842384724 (6.09118e-05% change) + iteration 224: trace = 6.680080072951409 (5.43189e-05% change) + linmin: converged after 4 iterations. + iteration 225: trace = 6.680078801599461 (1.9032e-05% change) linmin: converged after 3 iterations. - iteration 221: trace = 6.680089179833528 (5.48279e-05% change) + iteration 226: trace = 6.680076350868536 (3.66872e-05% change) linmin: converged after 4 iterations. - iteration 222: trace = 6.680087434377293 (2.61292e-05% change) - large trace change predicted (5.58738e-05%) + iteration 227: trace = 6.680074690080565 (2.48618e-05% change) + linmin: converged after 9 iterations. + iteration 228: trace = 6.680073351032185 (2.00454e-05% change) linmin: converged after 3 iterations. - iteration 223: trace = 6.680083701568315 (5.58797e-05% change) + iteration 229: trace = 6.680072854503119 (7.43299e-06% change) linmin: converged after 3 iterations. - iteration 224: trace = 6.680080072969977 (5.43197e-05% change) - linmin: converged after 4 iterations. - iteration 225: trace = 6.680078801637671 (1.90317e-05% change) - linmin: converged after 7 iterations. - iteration 226: trace = 6.680076350837193 (3.66882e-05% change) + iteration 230: trace = 6.68007209099912 (1.14296e-05% change) linmin: converged after 3 iterations. - iteration 227: trace = 6.680074690109035 (2.48609e-05% change) - linmin: converged after 8 iterations. - iteration 228: trace = 6.680073351070969 (2.00453e-05% change) + iteration 231: trace = 6.680071248553808 (1.26113e-05% change) + linmin: converged after 5 iterations. + iteration 232: trace = 6.68007096020888 (4.31649e-06% change) + large trace change predicted (1.18528e-05%) linmin: converged after 3 iterations. - iteration 229: trace = 6.68007285452746 (7.4332e-06% change) + iteration 233: trace = 6.680070168333757 (1.18543e-05% change) linmin: converged after 3 iterations. - iteration 230: trace = 6.680072090994439 (1.143e-05% change) - linmin: converged after 4 iterations. - iteration 231: trace = 6.680071248584382 (1.26108e-05% change) + iteration 234: trace = 6.680069654245933 (7.69584e-06% change) linmin: converged after 3 iterations. - iteration 232: trace = 6.680070960238667 (4.31651e-06% change) - large trace change predicted (1.18534e-05%) - linmin: converged after 5 iterations. - iteration 233: trace = 6.680070168326894 (1.18548e-05% change) - linmin: converged after 19 iterations. - iteration 234: trace = 6.68006965411633 (7.69768e-06% change) - linmin: converged after 4 iterations. - iteration 235: trace = 6.680069400433313 (3.79761e-06% change) + iteration 235: trace = 6.680069400467938 (3.79903e-06% change) + linmin: converged after 3 iterations. + iteration 236: trace = 6.680069104628129 (4.42869e-06% change) + linmin: converged after 3 iterations. + iteration 237: trace = 6.680068901394954 (3.04238e-06% change) + linmin: converged after 7 iterations. + iteration 238: trace = 6.68006881640772 (1.27225e-06% change) linmin: converged after 4 iterations. - iteration 236: trace = 6.680069104629979 (4.42815e-06% change) + iteration 239: trace = 6.680068659756556 (2.34505e-06% change) + linmin: converged after 11 iterations. + iteration 240: trace = 6.680068550664888 (1.63309e-06% change) linmin: converged after 4 iterations. - iteration 237: trace = 6.680068901432917 (3.04184e-06% change) + iteration 241: trace = 6.680068504921119 (6.8478e-07% change) linmin: converged after 4 iterations. - iteration 238: trace = 6.680068816419869 (1.27264e-06% change) - linmin: converged after 6 iterations. - iteration 239: trace = 6.680068659755051 (2.34526e-06% change) + iteration 242: trace = 6.680068425445534 (1.18974e-06% change) linmin: converged after 5 iterations. - iteration 240: trace = 6.680068550683506 (1.63279e-06% change) - linmin: converged after 14 iterations. - iteration 241: trace = 6.680068504970169 (6.84324e-07% change) - linmin: converged after 6 iterations. - iteration 242: trace = 6.680068425446491 (1.19046e-06% change) - linmin: converged after 7 iterations. - iteration 243: trace = 6.680068372313352 (7.95398e-07% change) + iteration 243: trace = 6.680068372309567 (7.9544e-07% change) linmin: converged after 4 iterations. - iteration 244: trace = 6.680068349511027 (3.41349e-07% change) + iteration 244: trace = 6.68006834950997 (3.41308e-07% change) linmin: converged after 3 iterations. - iteration 245: trace = 6.680068316252574 (4.97876e-07% change) - linmin: converged after 7 iterations. - iteration 246: trace = 6.680068281840759 (5.15142e-07% change) - linmin: converged after 4 iterations. - iteration 247: trace = 6.680068263861698 (2.69145e-07% change) + iteration 245: trace = 6.680068316253641 (4.97844e-07% change) + linmin: converged after 3 iterations. + iteration 246: trace = 6.680068281843501 (5.15117e-07% change) + linmin: converged after 8 iterations. + iteration 247: trace = 6.680068263937255 (2.68055e-07% change) linmin: converged after 5 iterations. - iteration 248: trace = 6.680068250316288 (2.02774e-07% change) - linmin: converged after 7 iterations. - iteration 249: trace = 6.680068235011274 (2.29115e-07% change) + iteration 248: trace = 6.680068250330845 (2.03687e-07% change) + linmin: converged after 5 iterations. + iteration 249: trace = 6.680068235014073 (2.29291e-07% change) + linmin: converged after 5 iterations. + iteration 250: trace = 6.680068219577296 (2.31087e-07% change) linmin: converged after 5 iterations. - iteration 250: trace = 6.68006821953699 (2.31649e-07% change) + iteration 251: trace = 6.680068209701298 (1.47843e-07% change) linmin: converged after 4 iterations. - iteration 251: trace = 6.680068209700503 (1.47251e-07% change) + iteration 252: trace = 6.680068201057148 (1.29402e-07% change) linmin: converged after 4 iterations. - iteration 252: trace = 6.680068201055386 (1.29417e-07% change) + iteration 253: trace = 6.680068196844695 (6.306e-08% change) + linmin: converged after 6 iterations. + iteration 254: trace = 6.680068194298988 (3.8109e-08% change) + linmin: converged after 6 iterations. + iteration 255: trace = 6.680068189734076 (6.83363e-08% change) linmin: converged after 4 iterations. - iteration 253: trace = 6.680068196815148 (6.3476e-08% change) + iteration 256: trace = 6.680068185375805 (6.52429e-08% change) linmin: converged after 4 iterations. - iteration 254: trace = 6.68006819428233 (3.7916e-08% change) + iteration 257: trace = 6.680068184273248 (1.65052e-08% change) linmin: converged after 4 iterations. - iteration 255: trace = 6.680068189733394 (6.80972e-08% change) - linmin: converged after 7 iterations. - iteration 256: trace = 6.680068185326181 (6.59756e-08% change) - linmin: converged after 6 iterations. - iteration 257: trace = 6.680068184115238 (1.81277e-08% change) + iteration 258: trace = 6.680068182522309 (2.62114e-08% change) + linmin: converged after 15 iterations. + iteration 259: trace = 6.68006818105756 (2.19271e-08% change) linmin: converged after 4 iterations. - iteration 258: trace = 6.680068182525833 (2.37932e-08% change) - linmin: converged after 7 iterations. - iteration 259: trace = 6.680068181099807 (2.13475e-08% change) + iteration 260: trace = 6.680068180494168 (8.43394e-09% change) linmin: converged after 4 iterations. - iteration 260: trace = 6.680068180538626 (8.40083e-09% change) + iteration 261: trace = 6.680068179768361 (1.08653e-08% change) linmin: converged after 4 iterations. - iteration 261: trace = 6.680068179768131 (1.15342e-08% change) + iteration 262: trace = 6.680068179147947 (9.28753e-09% change) linmin: converged after 4 iterations. - iteration 262: trace = 6.680068179150874 (9.24029e-09% change) + iteration 263: trace = 6.680068178733466 (6.20475e-09% change) linmin: converged after 4 iterations. - iteration 263: trace = 6.68006817875833 (5.87634e-09% change) + iteration 264: trace = 6.680068178533025 (3.00058e-09% change) + large trace change predicted (6.16407e-09%) linmin: converged after 4 iterations. - iteration 264: trace = 6.680068178534971 (3.34367e-09% change) - linmin: converged after 22 iterations. - iteration 265: trace = 6.680068178135892 (5.97418e-09% change) + iteration 265: trace = 6.680068178121238 (6.16441e-09% change) linmin: converged after 4 iterations. - iteration 266: trace = 6.680068178021659 (1.71006e-09% change) - large trace change predicted (3.85974e-09%) + iteration 266: trace = 6.680068177961954 (2.38447e-09% change) linmin: converged after 4 iterations. - iteration 267: trace = 6.680068177763815 (3.85991e-09% change) - linmin: converged after 5 iterations. - iteration 268: trace = 6.680068177602221 (2.41904e-09% change) - linmin: converged after 9 iterations. - iteration 269: trace = 6.680068177493695 (1.62463e-09% change) - linmin: converged after 7 iterations. - iteration 270: trace = 6.680068177432303 (9.19029e-10% change) - linmin: converged after 15 iterations. - iteration 271: trace = 6.680068177338072 (1.41063e-09% change) - linmin: converged after 4 iterations. - iteration 272: trace = 6.680068177272095 (9.87663e-10% change) + iteration 267: trace = 6.680068177761544 (3.00012e-09% change) linmin: converged after 4 iterations. - iteration 273: trace = 6.680068177245388 (3.99796e-10% change) - linmin: converged after 15 iterations. - iteration 274: trace = 6.680068177203003 (6.34509e-10% change) - linmin: converged after 15 iterations. - iteration 275: trace = 6.680068177157596 (6.79742e-10% change) + iteration 268: trace = 6.680068177602848 (2.37565e-09% change) + linmin: converged after 13 iterations. + iteration 269: trace = 6.680068177506453 (1.44302e-09% change) + linmin: converged after 3 iterations. + iteration 270: trace = 6.680068177433323 (1.09476e-09% change) linmin: converged after 4 iterations. - iteration 276: trace = 6.680068177145132 (1.86582e-10% change) - large trace change predicted (3.75195e-10%) + iteration 271: trace = 6.680068177338332 (1.422e-09% change) + linmin: converged after 16 iterations. + iteration 272: trace = 6.680068177279097 (8.86747e-10% change) + linmin: converged after 3 iterations. + iteration 273: trace = 6.680068177249511 (4.42888e-10% change) linmin: converged after 4 iterations. - iteration 277: trace = 6.680068177120065 (3.75252e-10% change) + iteration 274: trace = 6.680068177203202 (6.93251e-10% change) + linmin: converged after 15 iterations. + iteration 275: trace = 6.680068177160675 (6.36623e-10% change) + linmin: converged after 5 iterations. + iteration 276: trace = 6.680068177145829 (2.22242e-10% change) linmin: converged after 6 iterations. - iteration 278: trace = 6.680068177107303 (1.91036e-10% change) - linmin: converged after 9 iterations. - iteration 279: trace = 6.680068177097761 (1.42852e-10% change) + iteration 277: trace = 6.680068177120615 (3.77445e-10% change) + linmin: converged after 2 iterations. + iteration 278: trace = 6.680068177111693 (1.33571e-10% change) + linmin: converged after 13 iterations. + iteration 279: trace = 6.680068177098545 (1.9682e-10% change) resetting CG direction... - linmin: converged after 9 iterations. - iteration 280: trace = 6.680068177092473 (7.91641e-11% change) + linmin: converged after 4 iterations. + iteration 280: trace = 6.680068177092141 (9.58638e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 2.7406210899353027 +elapsed time for k point: 9.004782915115356 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.654587455311328 (0.0686633% change) + iteration 1: trace = 6.654587473689109 (0.0686629% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.650159760210607 (0.0665581% change) + iteration 2: trace = 6.650159753500438 (0.0665585% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.648179164838401 (0.0297871% change) + iteration 3: trace = 6.648179168070059 (0.029787% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.64753416259331 (0.00970241% change) + iteration 4: trace = 6.647534184460929 (0.00970213% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.6469666136075 (0.0085381% change) + iteration 5: trace = 6.646966615404791 (0.0085384% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.645994018177636 (0.0146332% change) - linmin: converged after 3 iterations. - iteration 7: trace = 6.64530472666308 (0.0103721% change) + iteration 6: trace = 6.645994017622721 (0.0146333% change) + linmin: converged after 5 iterations. + iteration 7: trace = 6.645304729701829 (0.010372% change) linmin: converged after 3 iterations. - iteration 8: trace = 6.644933052356651 (0.00559319% change) + iteration 8: trace = 6.644933056210284 (0.00559318% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.644423335856935 (0.00767105% change) + iteration 9: trace = 6.644423335852698 (0.00767111% change) linmin: converged after 3 iterations. - iteration 10: trace = 6.64420115647265 (0.0033439% change) + iteration 10: trace = 6.644201156406162 (0.0033439% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.643990275840968 (0.00317396% change) + iteration 11: trace = 6.643990279910868 (0.00317389% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.643843510252407 (0.00220902% change) - linmin: converged after 3 iterations. - iteration 13: trace = 6.643564751930795 (0.00419583% change) + iteration 12: trace = 6.643843516962854 (0.00220898% change) + linmin: converged after 5 iterations. + iteration 13: trace = 6.64356475664805 (0.00419586% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.64327911203505 (0.00429959% change) + iteration 14: trace = 6.643279223213847 (0.00429799% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.64307162272011 (0.00312335% change) + iteration 15: trace = 6.64307162450148 (0.00312499% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.642974799946697 (0.00145751% change) + iteration 16: trace = 6.64297479951876 (0.00145754% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.642909147828732 (0.000988299% change) + iteration 17: trace = 6.642909148385201 (0.000988284% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.642890167027224 (0.000285731% change) - linmin: converged after 5 iterations. - iteration 19: trace = 6.642868866277831 (0.000320655% change) - linmin: converged after 3 iterations. - iteration 20: trace = 6.642841255990717 (0.000415639% change) - linmin: converged after 4 iterations. - iteration 21: trace = 6.642822870559128 (0.000276771% change) + iteration 18: trace = 6.642890172549851 (0.000285656% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.642805065880108 (0.000268029% change) + iteration 19: trace = 6.642868866693247 (0.000320732% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.64279144083442 (0.00020511% change) + iteration 20: trace = 6.642841257630105 (0.00041562% change) + linmin: converged after 7 iterations. + iteration 21: trace = 6.642822878207463 (0.000276681% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.642785631391333 (8.74549e-05% change) + iteration 22: trace = 6.642805066181122 (0.00026814% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.642782971983666 (4.00345e-05% change) - linmin: converged after 4 iterations. - iteration 26: trace = 6.642780010618989 (4.45802e-05% change) + iteration 23: trace = 6.642791440748623 (0.000205116% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.64277821577196 (2.70195e-05% change) + iteration 24: trace = 6.642785630165085 (8.74721e-05% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.642777033771829 (1.77938e-05% change) - large trace change predicted (3.72453e-05%) + iteration 25: trace = 6.642782971944859 (4.00167e-05% change) linmin: converged after 4 iterations. - iteration 29: trace = 6.642774560640914 (3.72304e-05% change) + iteration 26: trace = 6.642780010487694 (4.45816e-05% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.642773633138377 (1.39626e-05% change) + iteration 27: trace = 6.642778215782385 (2.70174e-05% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.642772722826313 (1.37038e-05% change) - linmin: converged after 4 iterations. - iteration 32: trace = 6.642771828262404 (1.34667e-05% change) - linmin: converged after 4 iterations. - iteration 33: trace = 6.64277087576031 (1.43389e-05% change) + iteration 28: trace = 6.642777033708898 (1.77949e-05% change) + large trace change predicted (3.72446e-05%) linmin: converged after 5 iterations. - iteration 34: trace = 6.642770553794994 (4.84685e-06% change) + iteration 29: trace = 6.642774560627688 (3.72296e-05% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.642770128430119 (6.40343e-06% change) + iteration 30: trace = 6.642773633112364 (1.39628e-05% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.642769885778785 (3.65286e-06% change) + iteration 31: trace = 6.642772722801835 (1.37038e-05% change) linmin: converged after 4 iterations. - iteration 37: trace = 6.642769776764544 (1.6411e-06% change) + iteration 32: trace = 6.642771828223156 (1.34669e-05% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.642769636191611 (2.11618e-06% change) - linmin: converged after 2 iterations. - iteration 39: trace = 6.642769529879722 (1.60042e-06% change) - linmin: converged after 7 iterations. - iteration 40: trace = 6.64276948230084 (7.16251e-07% change) + iteration 33: trace = 6.642770875717687 (1.4339e-05% change) + linmin: converged after 3 iterations. + iteration 34: trace = 6.642770553609214 (4.84901e-06% change) + linmin: converged after 5 iterations. + iteration 35: trace = 6.642770128424434 (6.40071e-06% change) + linmin: converged after 3 iterations. + iteration 36: trace = 6.642769885743741 (3.65331e-06% change) + linmin: converged after 5 iterations. + iteration 37: trace = 6.642769776756667 (1.64069e-06% change) + linmin: converged after 3 iterations. + iteration 38: trace = 6.642769636192451 (2.11605e-06% change) linmin: converged after 2 iterations. - iteration 41: trace = 6.642769417347594 (9.77804e-07% change) + iteration 39: trace = 6.64276952985813 (1.60075e-06% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.642769380718568 (5.51412e-07% change) + iteration 40: trace = 6.64276948221908 (7.17156e-07% change) linmin: converged after 2 iterations. - iteration 43: trace = 6.642769352276503 (4.28166e-07% change) - linmin: converged after 8 iterations. - iteration 44: trace = 6.642769335009672 (2.59934e-07% change) + iteration 41: trace = 6.642769417339405 (9.76696e-07% change) + linmin: converged after 3 iterations. + iteration 42: trace = 6.6427693807117 (5.51392e-07% change) + linmin: converged after 3 iterations. + iteration 43: trace = 6.642769352213377 (4.29013e-07% change) linmin: converged after 4 iterations. - iteration 45: trace = 6.642769308412368 (4.00395e-07% change) - linmin: converged after 10 iterations. - iteration 46: trace = 6.642769295594344 (1.92962e-07% change) - linmin: converged after 10 iterations. - iteration 47: trace = 6.642769286031895 (1.43953e-07% change) + iteration 44: trace = 6.64276933500741 (2.59018e-07% change) linmin: converged after 4 iterations. - iteration 48: trace = 6.642769278113336 (1.19206e-07% change) + iteration 45: trace = 6.642769308410065 (4.00395e-07% change) linmin: converged after 4 iterations. - iteration 49: trace = 6.642769268636345 (1.42666e-07% change) - linmin: converged after 6 iterations. - iteration 50: trace = 6.642769264678964 (5.95743e-08% change) - linmin: converged after 2 iterations. - iteration 51: trace = 6.642769258347661 (9.53112e-08% change) + iteration 46: trace = 6.64276929558259 (1.93104e-07% change) + linmin: converged after 15 iterations. + iteration 47: trace = 6.642769286017307 (1.43995e-07% change) + linmin: converged after 3 iterations. + iteration 48: trace = 6.642769278110246 (1.19033e-07% change) linmin: converged after 4 iterations. - iteration 52: trace = 6.642769254860999 (5.24881e-08% change) + iteration 49: trace = 6.642769268633557 (1.42662e-07% change) linmin: converged after 4 iterations. - iteration 53: trace = 6.642769253450789 (2.12293e-08% change) - linmin: converged after 6 iterations. - iteration 54: trace = 6.642769251332606 (3.1887e-08% change) - linmin: converged after 8 iterations. - iteration 55: trace = 6.642769250050419 (1.9302e-08% change) - linmin: converged after 7 iterations. - iteration 56: trace = 6.6427692492726 (1.17093e-08% change) + iteration 50: trace = 6.642769264678993 (5.95319e-08% change) linmin: converged after 4 iterations. - iteration 57: trace = 6.642769248105801 (1.7565e-08% change) - linmin: converged after 32 iterations. - iteration 58: trace = 6.642769246923345 (1.78006e-08% change) - linmin: converged after 2 iterations. - iteration 59: trace = 6.642769246437547 (7.31319e-09% change) + iteration 51: trace = 6.642769258340143 (9.54248e-08% change) linmin: converged after 4 iterations. - iteration 60: trace = 6.642769246055699 (5.74833e-09% change) - linmin: converged after 19 iterations. - iteration 61: trace = 6.642769245798688 (3.86904e-09% change) - linmin: converged after 26 iterations. - iteration 62: trace = 6.642769245596893 (3.03781e-09% change) + iteration 52: trace = 6.642769254869387 (5.22486e-08% change) + linmin: converged after 3 iterations. + iteration 53: trace = 6.642769253457879 (2.12488e-08% change) linmin: converged after 4 iterations. - iteration 63: trace = 6.642769245361455 (3.54427e-09% change) + iteration 54: trace = 6.642769251332982 (3.19881e-08% change) linmin: converged after 5 iterations. - iteration 64: trace = 6.642769245059515 (4.54539e-09% change) + iteration 55: trace = 6.642769250070252 (1.90091e-08% change) + linmin: converged after 4 iterations. + iteration 56: trace = 6.642769249311944 (1.14155e-08% change) + linmin: converged after 4 iterations. + iteration 57: trace = 6.642769248104532 (1.81763e-08% change) + linmin: converged after 4 iterations. + iteration 58: trace = 6.642769246932681 (1.7641e-08% change) linmin: converged after 24 iterations. - iteration 65: trace = 6.64276924497741 (1.23601e-09% change) - linmin: converged after 14 iterations. - iteration 66: trace = 6.642769244866003 (1.67713e-09% change) - linmin: converged after 5 iterations. - iteration 67: trace = 6.642769244785121 (1.21759e-09% change) + iteration 59: trace = 6.642769246510039 (6.36244e-09% change) + linmin: converged after 7 iterations. + iteration 60: trace = 6.642769246056337 (6.83e-09% change) linmin: converged after 8 iterations. - iteration 68: trace = 6.642769244740458 (6.72354e-10% change) - linmin: converged after 14 iterations. - iteration 69: trace = 6.642769244697033 (6.53716e-10% change) - resetting CG direction... - linmin: converged after 11 iterations. - iteration 70: trace = 6.64276924467363 (3.52302e-10% change) - linmin: converged after 15 iterations. - iteration 71: trace = 6.642769244658356 (2.29934e-10% change) + iteration 61: trace = 6.642769245799185 (3.87116e-09% change) + linmin: converged after 5 iterations. + iteration 62: trace = 6.642769245599225 (3.01019e-09% change) linmin: converged after 6 iterations. - iteration 72: trace = 6.64276924463728 (3.17284e-10% change) - linmin: converged after 11 iterations. - iteration 73: trace = 6.642769244619855 (2.62318e-10% change) + iteration 63: trace = 6.642769245362293 (3.56677e-09% change) linmin: converged after 4 iterations. - iteration 74: trace = 6.64276924460999 (1.48507e-10% change) + iteration 64: trace = 6.642769245060769 (4.53912e-09% change) + linmin: converged after 4 iterations. + iteration 65: trace = 6.64276924497992 (1.2171e-09% change) + linmin: converged after 3 iterations. + iteration 66: trace = 6.642769244865909 (1.71632e-09% change) + linmin: converged after 3 iterations. + iteration 67: trace = 6.642769244785438 (1.21142e-09% change) + linmin: converged after 2 iterations. + iteration 68: trace = 6.642769244741226 (6.65562e-10% change) + linmin: converged after 16 iterations. + iteration 69: trace = 6.64276924469701 (6.65629e-10% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 70: trace = 6.642769244673424 (3.55056e-10% change) + linmin: converged after 16 iterations. + iteration 71: trace = 6.642769244658249 (2.2845e-10% change) + linmin: converged after 6 iterations. + iteration 72: trace = 6.642769244637283 (3.15613e-10% change) linmin: converged after 9 iterations. - iteration 75: trace = 6.642769244598637 (1.70903e-10% change) + iteration 73: trace = 6.642769244619499 (2.6772e-10% change) linmin: converged after 4 iterations. - iteration 76: trace = 6.64276924458175 (2.54215e-10% change) + iteration 74: trace = 6.642769244609692 (1.47638e-10% change) + linmin: converged after 4 iterations. + iteration 75: trace = 6.642769244598619 (1.66691e-10% change) linmin: converged after 3 iterations. - iteration 77: trace = 6.642769244576464 (7.95685e-11% change) + iteration 76: trace = 6.642769244581716 (2.54456e-10% change) + linmin: converged after 17 iterations. + iteration 77: trace = 6.642769244576439 (7.94481e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 -elapsed time for k point: 0.5663411617279053 +elapsed time for k point: 3.8357510566711426 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.687429231511185 (0.117813% change) + iteration 1: trace = 6.687429231640419 (0.117813% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.682646875626627 (0.0715382% change) - linmin: converged after 4 iterations. - iteration 3: trace = 6.679627759254707 (0.0451887% change) + iteration 2: trace = 6.682646867031265 (0.0715383% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.674424623045876 (0.077926% change) + iteration 3: trace = 6.679627759806239 (0.0451885% change) + linmin: converged after 5 iterations. + iteration 4: trace = 6.674424626067543 (0.0779259% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.670593818216934 (0.0574118% change) + iteration 5: trace = 6.670593887939423 (0.0574108% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.669532380670411 (0.0159135% change) + iteration 6: trace = 6.669532519250804 (0.0159124% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.668698883194505 (0.0124979% change) + iteration 7: trace = 6.668698910283753 (0.0124995% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.667450150690025 (0.018727% change) + iteration 8: trace = 6.667450154203845 (0.0187274% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.66685421691059 (0.00893836% change) + iteration 9: trace = 6.666854298069175 (0.00893719% change) linmin: converged after 3 iterations. - iteration 10: trace = 6.666561020957688 (0.00439791% change) - large trace change predicted (0.0103226%) - linmin: converged after 4 iterations. - iteration 11: trace = 6.665873832486198 (0.0103085% change) + iteration 10: trace = 6.666561044023348 (0.00439878% change) + large trace change predicted (0.0103227%) linmin: converged after 3 iterations. - iteration 12: trace = 6.66534367843415 (0.00795357% change) - linmin: converged after 5 iterations. - iteration 13: trace = 6.664960567151565 (0.00574798% change) + iteration 11: trace = 6.665873849220906 (0.0103086% change) + linmin: converged after 3 iterations. + iteration 12: trace = 6.665343892343184 (0.00795061% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.66447182671495 (0.00733325% change) + iteration 13: trace = 6.664960722616507 (0.00574885% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.66434339982356 (0.00192706% change) + iteration 14: trace = 6.664471827485924 (0.00733557% change) + linmin: converged after 5 iterations. + iteration 15: trace = 6.664343409130835 (0.00192693% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.66423537972366 (0.00162088% change) + iteration 16: trace = 6.664235402926991 (0.00162067% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.664099941917526 (0.00203233% change) + iteration 17: trace = 6.664099943254497 (0.00203266% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.663928212821615 (0.00257696% change) + iteration 18: trace = 6.663928209547941 (0.00257703% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.663861709370718 (0.000997967% change) + iteration 19: trace = 6.663861687818067 (0.000998241% change) linmin: converged after 4 iterations. - iteration 20: trace = 6.663812777113738 (0.000734295% change) + iteration 20: trace = 6.663812771949349 (0.00073405% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.663735503528859 (0.00115961% change) + iteration 21: trace = 6.663735502864748 (0.00115954% change) + linmin: converged after 5 iterations. + iteration 22: trace = 6.66367466614615 (0.000912956% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.663674701397493 (0.000912437% change) + iteration 23: trace = 6.663634526974308 (0.00060236% change) + linmin: converged after 7 iterations. + iteration 24: trace = 6.663593038759096 (0.000622608% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.663634535229166 (0.000602765% change) - linmin: converged after 6 iterations. - iteration 24: trace = 6.663593038411381 (0.000622737% change) + iteration 25: trace = 6.663573597875551 (0.000291748% change) + linmin: converged after 5 iterations. + iteration 26: trace = 6.663564028497367 (0.000143607% change) + linmin: converged after 9 iterations. + iteration 27: trace = 6.66354904793401 (0.000224813% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.663573597485097 (0.000291749% change) + iteration 28: trace = 6.663543235825781 (8.72225e-05% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.663564028806269 (0.000143597% change) + iteration 29: trace = 6.66353963112206 (5.40959e-05% change) + linmin: converged after 5 iterations. + iteration 30: trace = 6.663536020928598 (5.41783e-05% change) + large trace change predicted (0.000126931%) linmin: converged after 3 iterations. - iteration 27: trace = 6.663549047974307 (0.000224817% change) + iteration 31: trace = 6.663527560499054 (0.000126966% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.663543234598157 (8.72415e-05% change) + iteration 32: trace = 6.663522796309925 (7.14965e-05% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.663539629620816 (5.41e-05% change) + iteration 33: trace = 6.663519837202252 (4.44076e-05% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.663536020747423 (5.41585e-05% change) - large trace change predicted (0.000126928%) + iteration 34: trace = 6.663516772772216 (4.59882e-05% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.663527560554203 (0.000126963% change) - linmin: converged after 12 iterations. - iteration 32: trace = 6.663522796841909 (7.14894e-05% change) + iteration 35: trace = 6.663513850280391 (4.38581e-05% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.663519837331688 (4.44136e-05% change) - linmin: converged after 4 iterations. - iteration 34: trace = 6.663516772751093 (4.59904e-05% change) - linmin: converged after 17 iterations. - iteration 35: trace = 6.663513849617122 (4.38677e-05% change) + iteration 36: trace = 6.663512817819473 (1.54942e-05% change) + large trace change predicted (3.44727e-05%) + linmin: converged after 5 iterations. + iteration 37: trace = 6.66351052050736 (3.4476e-05% change) + linmin: converged after 3 iterations. + iteration 38: trace = 6.663509473943975 (1.57059e-05% change) + linmin: converged after 2 iterations. + iteration 39: trace = 6.663509059441019 (6.22049e-06% change) + large trace change predicted (1.53072e-05%) linmin: converged after 4 iterations. - iteration 36: trace = 6.663512817242067 (1.5493e-05% change) - large trace change predicted (3.44646e-05%) + iteration 40: trace = 6.663508039374552 (1.53082e-05% change) linmin: converged after 4 iterations. - iteration 37: trace = 6.663510520469217 (3.44679e-05% change) + iteration 41: trace = 6.663507363208089 (1.01473e-05% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.663509473661299 (1.57096e-05% change) + iteration 42: trace = 6.663506896333666 (7.00644e-06% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.663509059368947 (6.21733e-06% change) - large trace change predicted (1.53076e-05%) + iteration 43: trace = 6.663506558684439 (5.06714e-06% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.663508039277591 (1.53086e-05% change) - linmin: converged after 8 iterations. - iteration 41: trace = 6.663507363532601 (1.0141e-05% change) + iteration 44: trace = 6.663506414193118 (2.1684e-06% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.663506896337038 (7.01126e-06% change) + iteration 45: trace = 6.663506331223576 (1.24513e-06% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.663506558669988 (5.06741e-06% change) - linmin: converged after 8 iterations. - iteration 44: trace = 6.663506414338931 (2.16599e-06% change) - linmin: converged after 10 iterations. - iteration 45: trace = 6.663506331335545 (1.24564e-06% change) + iteration 46: trace = 6.663506214966994 (1.74468e-06% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.663506214951667 (1.74659e-06% change) + iteration 47: trace = 6.663506039883719 (2.62749e-06% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.663506039919197 (2.62673e-06% change) - linmin: converged after 6 iterations. - iteration 48: trace = 6.663505983939295 (8.40097e-07% change) - linmin: converged after 4 iterations. - iteration 49: trace = 6.663505907522652 (1.14679e-06% change) + iteration 48: trace = 6.663505983850816 (8.40892e-07% change) + linmin: converged after 3 iterations. + iteration 49: trace = 6.663505907541484 (1.14518e-06% change) linmin: converged after 5 iterations. - iteration 50: trace = 6.663505851032006 (8.47762e-07% change) + iteration 50: trace = 6.663505851042529 (8.47886e-07% change) + linmin: converged after 6 iterations. + iteration 51: trace = 6.663505805259885 (6.87065e-07% change) + linmin: converged after 13 iterations. + iteration 52: trace = 6.663505790502363 (2.21468e-07% change) + linmin: converged after 25 iterations. + iteration 53: trace = 6.663505766535184 (3.59678e-07% change) linmin: converged after 4 iterations. - iteration 51: trace = 6.663505805256612 (6.86957e-07% change) - linmin: converged after 5 iterations. - iteration 52: trace = 6.663505790501416 (2.21433e-07% change) + iteration 54: trace = 6.663505741504925 (3.75632e-07% change) + linmin: converged after 22 iterations. + iteration 55: trace = 6.663505723706266 (2.67107e-07% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.663505766531589 (3.59718e-07% change) - linmin: converged after 4 iterations. - iteration 54: trace = 6.663505741478836 (3.7597e-07% change) + iteration 56: trace = 6.663505707385099 (2.44934e-07% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.663505723652033 (2.67529e-07% change) - linmin: converged after 7 iterations. - iteration 56: trace = 6.663505707379739 (2.442e-07% change) - linmin: converged after 7 iterations. - iteration 57: trace = 6.663505697265364 (1.51788e-07% change) - linmin: converged after 10 iterations. - iteration 58: trace = 6.663505694684291 (3.87345e-08% change) - linmin: converged after 4 iterations. - iteration 59: trace = 6.663505691927321 (4.13742e-08% change) - linmin: converged after 4 iterations. - iteration 60: trace = 6.663505688934743 (4.491e-08% change) - linmin: converged after 18 iterations. - iteration 61: trace = 6.663505686200639 (4.1031e-08% change) + iteration 57: trace = 6.663505697273749 (1.51742e-07% change) linmin: converged after 5 iterations. - iteration 62: trace = 6.663505684949753 (1.87722e-08% change) - linmin: converged after 4 iterations. - iteration 63: trace = 6.663505683327255 (2.4349e-08% change) + iteration 58: trace = 6.663505694691338 (3.87545e-08% change) linmin: converged after 4 iterations. - iteration 64: trace = 6.663505682009577 (1.97745e-08% change) + iteration 59: trace = 6.663505691929068 (4.14537e-08% change) + linmin: converged after 7 iterations. + iteration 60: trace = 6.663505688934807 (4.49352e-08% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.663505681307788 (1.05318e-08% change) - linmin: converged after 34 iterations. - iteration 66: trace = 6.663505680001043 (1.96105e-08% change) + iteration 61: trace = 6.663505686194938 (4.11175e-08% change) + linmin: converged after 3 iterations. + iteration 62: trace = 6.663505684948923 (1.86991e-08% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.663505679184849 (1.22487e-08% change) - linmin: converged after 12 iterations. - iteration 68: trace = 6.663505678748463 (6.5489e-09% change) + iteration 63: trace = 6.663505683328056 (2.43245e-08% change) + linmin: converged after 13 iterations. + iteration 64: trace = 6.663505682008949 (1.9796e-08% change) + linmin: converged after 11 iterations. + iteration 65: trace = 6.663505681304827 (1.05668e-08% change) linmin: converged after 6 iterations. - iteration 69: trace = 6.663505678470028 (4.17851e-09% change) - resetting CG direction... + iteration 66: trace = 6.663505680001291 (1.95623e-08% change) + linmin: converged after 4 iterations. + iteration 67: trace = 6.663505679184945 (1.2251e-08% change) + linmin: converged after 23 iterations. + iteration 68: trace = 6.66350567874791 (6.55864e-09% change) linmin: converged after 7 iterations. - iteration 70: trace = 6.663505678326044 (2.16079e-09% change) - linmin: converged after 5 iterations. - iteration 71: trace = 6.663505678226778 (1.4897e-09% change) - linmin: converged after 2 iterations. - iteration 72: trace = 6.663505678093959 (1.99322e-09% change) + iteration 69: trace = 6.663505678470032 (4.17015e-09% change) + resetting CG direction... linmin: converged after 2 iterations. - iteration 73: trace = 6.663505677966054 (1.9195e-09% change) - linmin: converged after 9 iterations. - iteration 74: trace = 6.663505677909059 (8.55322e-10% change) + iteration 70: trace = 6.663505678326204 (2.15844e-09% change) linmin: converged after 4 iterations. - iteration 75: trace = 6.663505677805617 (1.55237e-09% change) + iteration 71: trace = 6.663505678226792 (1.49189e-09% change) + linmin: converged after 13 iterations. + iteration 72: trace = 6.663505678093929 (1.99388e-09% change) linmin: converged after 5 iterations. - iteration 76: trace = 6.66350567774159 (9.60861e-10% change) + iteration 73: trace = 6.663505677966341 (1.91474e-09% change) + linmin: converged after 26 iterations. + iteration 74: trace = 6.6635056779092 (8.57521e-10% change) linmin: converged after 4 iterations. - iteration 77: trace = 6.663505677713072 (4.27967e-10% change) - linmin: converged after 15 iterations. - iteration 78: trace = 6.663505677677868 (5.28308e-10% change) + iteration 75: trace = 6.663505677805585 (1.55496e-09% change) + linmin: converged after 6 iterations. + iteration 76: trace = 6.66350567774166 (9.59328e-10% change) + linmin: converged after 11 iterations. + iteration 77: trace = 6.663505677713226 (4.26714e-10% change) + linmin: converged after 12 iterations. + iteration 78: trace = 6.663505677677864 (5.30681e-10% change) linmin: converged after 3 iterations. - iteration 79: trace = 6.66350567764272 (5.27482e-10% change) + iteration 79: trace = 6.663505677642716 (5.27468e-10% change) linmin: converged after 3 iterations. - iteration 80: trace = 6.663505677622083 (3.09699e-10% change) - linmin: converged after 11 iterations. - iteration 81: trace = 6.663505677595312 (4.01749e-10% change) - linmin: converged after 5 iterations. - iteration 82: trace = 6.663505677568759 (3.98484e-10% change) + iteration 80: trace = 6.663505677622147 (3.08686e-10% change) + linmin: converged after 8 iterations. + iteration 81: trace = 6.66350567759535 (4.02136e-10% change) linmin: converged after 3 iterations. - iteration 83: trace = 6.663505677548605 (3.02462e-10% change) - linmin: converged after 4 iterations. - iteration 84: trace = 6.663505677537475 (1.67026e-10% change) - linmin: converged after 9 iterations. - iteration 85: trace = 6.663505677527899 (1.437e-10% change) - linmin: converged after 2 iterations. - iteration 86: trace = 6.663505677520185 (1.15776e-10% change) + iteration 82: trace = 6.663505677568827 (3.98044e-10% change) + linmin: converged after 18 iterations. + iteration 83: trace = 6.663505677549109 (2.95904e-10% change) linmin: converged after 6 iterations. - iteration 87: trace = 6.66350567751532 (7.30029e-11% change) + iteration 84: trace = 6.663505677537502 (1.74183e-10% change) + linmin: converged after 15 iterations. + iteration 85: trace = 6.663505677527904 (1.44046e-10% change) + linmin: converged after 3 iterations. + iteration 86: trace = 6.663505677520201 (1.15602e-10% change) + linmin: converged after 3 iterations. + iteration 87: trace = 6.663505677515447 (7.13368e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 -elapsed time for k point: 0.8330905437469482 +elapsed time for k point: 6.630832672119141 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.744447319829122 (0.144043% change) + iteration 1: trace = 6.744447307474669 (0.144043% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.737973961372528 (0.0960266% change) + iteration 2: trace = 6.737973941565899 (0.0960268% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.732141747682221 (0.0865949% change) + iteration 3: trace = 6.7321417456039 (0.0865946% change) linmin: converged after 8 iterations. - iteration 4: trace = 6.724828796500679 (0.108686% change) + iteration 4: trace = 6.724828793447526 (0.108686% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.721434241355379 (0.0504907% change) + iteration 5: trace = 6.721434238463905 (0.0504907% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.718962205415226 (0.0367852% change) + iteration 6: trace = 6.718962204375529 (0.0367851% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.717543134764343 (0.0211226% change) - linmin: converged after 4 iterations. - iteration 8: trace = 6.716463675707937 (0.0160705% change) + iteration 7: trace = 6.71754313371084 (0.0211226% change) + linmin: converged after 3 iterations. + iteration 8: trace = 6.716463676546428 (0.0160705% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.715767540648555 (0.0103651% change) + iteration 9: trace = 6.715767540221497 (0.0103652% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.714605751548929 (0.0173009% change) + iteration 10: trace = 6.714605751396071 (0.0173009% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.713521985435469 (0.0161417% change) + iteration 11: trace = 6.713521993031621 (0.0161416% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.712581835313906 (0.0140048% change) + iteration 12: trace = 6.712581835798039 (0.0140049% change) linmin: converged after 3 iterations. - iteration 13: trace = 6.71158981476003 (0.0147796% change) + iteration 13: trace = 6.711589814736715 (0.0147796% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.710907669864163 (0.0101642% change) + iteration 14: trace = 6.710907669805348 (0.0101642% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.710743952111041 (0.00243961% change) + iteration 15: trace = 6.710743952061529 (0.00243961% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.710422647231451 (0.00478803% change) + iteration 16: trace = 6.710422647110722 (0.00478803% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.710149736269088 (0.00406705% change) + iteration 17: trace = 6.710149736315026 (0.00406705% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.709926499244011 (0.00332691% change) + iteration 18: trace = 6.709926499306195 (0.00332691% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.709615222871843 (0.00463915% change) + iteration 19: trace = 6.70961522287071 (0.00463915% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.709383090117643 (0.00345976% change) - linmin: converged after 4 iterations. - iteration 21: trace = 6.709272387074732 (0.00164999% change) + iteration 20: trace = 6.709383090015506 (0.00345976% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.709164433556145 (0.00160903% change) - linmin: converged after 3 iterations. - iteration 23: trace = 6.709082283752179 (0.00122445% change) - linmin: converged after 3 iterations. - iteration 24: trace = 6.709040657449078 (0.000620449% change) - linmin: converged after 4 iterations. - iteration 25: trace = 6.709012986499432 (0.000412444% change) + iteration 21: trace = 6.709272386637894 (0.00164999% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.708973601301382 (0.000587051% change) + iteration 22: trace = 6.709164433611233 (0.00160903% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.708949150379244 (0.000364452% change) + iteration 23: trace = 6.709082283800279 (0.00122445% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.708939654510758 (0.00014154% change) + iteration 24: trace = 6.709040657597047 (0.000620447% change) + linmin: converged after 6 iterations. + iteration 25: trace = 6.709012986509509 (0.000412446% change) + linmin: converged after 4 iterations. + iteration 26: trace = 6.708973601273001 (0.000587051% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.708921851624748 (0.000265361% change) + iteration 27: trace = 6.708949150197562 (0.000364454% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.708911468699708 (0.000154763% change) - linmin: converged after 5 iterations. - iteration 31: trace = 6.708903821442493 (0.000113987% change) - linmin: converged after 5 iterations. - iteration 32: trace = 6.708893718400836 (0.000150592% change) + iteration 28: trace = 6.708939654361957 (0.00014154% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.708883944464088 (0.000145686% change) + iteration 29: trace = 6.708921851625929 (0.000265359% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.708879439481632 (6.71495e-05% change) + iteration 30: trace = 6.708911468656734 (0.000154764% change) + linmin: converged after 4 iterations. + iteration 31: trace = 6.708903821429137 (0.000113986% change) + linmin: converged after 4 iterations. + iteration 32: trace = 6.708893718396827 (0.000150592% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.708871489178604 (0.000118504% change) + iteration 33: trace = 6.708883944390179 (0.000145687% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.708866031173699 (8.13551e-05% change) + iteration 34: trace = 6.708879439394104 (6.71497e-05% change) + linmin: converged after 4 iterations. + iteration 35: trace = 6.708871489175596 (0.000118503% change) + linmin: converged after 5 iterations. + iteration 36: trace = 6.708866031173947 (8.1355e-05% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.708863196868343 (4.22472e-05% change) + iteration 37: trace = 6.708863196863298 (4.22472e-05% change) + linmin: converged after 5 iterations. + iteration 38: trace = 6.708860828992563 (3.52947e-05% change) + linmin: converged after 4 iterations. + iteration 39: trace = 6.708858447879621 (3.54921e-05% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.708860828992465 (3.52947e-05% change) + iteration 40: trace = 6.708856997908971 (2.16128e-05% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.708858447883698 (3.5492e-05% change) + iteration 41: trace = 6.708854902056788 (3.12401e-05% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.708856997940599 (2.16124e-05% change) + iteration 42: trace = 6.708852610114659 (3.41629e-05% change) linmin: converged after 4 iterations. - iteration 41: trace = 6.708854902056196 (3.12406e-05% change) - linmin: converged after 3 iterations. - iteration 42: trace = 6.708852610091869 (3.41633e-05% change) + iteration 43: trace = 6.708851929347248 (1.01473e-05% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.708851929347837 (1.0147e-05% change) + iteration 44: trace = 6.70885123765442 (1.03102e-05% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.708851237630113 (1.03105e-05% change) + iteration 45: trace = 6.708850275606772 (1.434e-05% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.708850275593168 (1.43398e-05% change) + iteration 46: trace = 6.708849646092554 (9.38334e-06% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.70884964610264 (9.38299e-06% change) + iteration 47: trace = 6.708848882344398 (1.13842e-05% change) + linmin: converged after 4 iterations. + iteration 48: trace = 6.70884831289677 (8.48801e-06% change) + linmin: converged after 4 iterations. + iteration 49: trace = 6.708847878955357 (6.4682e-06% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.708848882323291 (1.13847e-05% change) + iteration 50: trace = 6.708847658426974 (3.28713e-06% change) + large trace change predicted (7.009e-06%) linmin: converged after 3 iterations. - iteration 48: trace = 6.70884831288727 (8.48784e-06% change) + iteration 51: trace = 6.708847188186793 (7.00925e-06% change) + linmin: converged after 4 iterations. + iteration 52: trace = 6.708846832159407 (5.30683e-06% change) + linmin: converged after 5 iterations. + iteration 53: trace = 6.70884661927558 (3.17318e-06% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.708847878958689 (6.468e-06% change) + iteration 54: trace = 6.708846387828648 (3.44988e-06% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.708847658426824 (3.28718e-06% change) - large trace change predicted (7.00903e-06%) + iteration 55: trace = 6.708846177691116 (3.13225e-06% change) + linmin: converged after 2 iterations. + iteration 56: trace = 6.708846099872972 (1.15993e-06% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.708847188184538 (7.00929e-06% change) - linmin: converged after 23 iterations. - iteration 52: trace = 6.708846832162545 (5.30675e-06% change) + iteration 57: trace = 6.708845988805979 (1.65553e-06% change) + linmin: converged after 18 iterations. + iteration 58: trace = 6.708845926158713 (9.33801e-07% change) + linmin: converged after 16 iterations. + iteration 59: trace = 6.708845871833847 (8.0975e-07% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.708846619270131 (3.17331e-06% change) - linmin: converged after 4 iterations. - iteration 54: trace = 6.708846387818853 (3.44994e-06% change) + iteration 60: trace = 6.708845822810293 (7.3073e-07% change) linmin: converged after 4 iterations. - iteration 55: trace = 6.70884617767422 (3.13235e-06% change) + iteration 61: trace = 6.708845760354881 (9.30941e-07% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.708846099858042 (1.1599e-06% change) + iteration 62: trace = 6.70884574299585 (2.58748e-07% change) + linmin: converged after 2 iterations. + iteration 63: trace = 6.708845724911501 (2.6956e-07% change) + linmin: converged after 5 iterations. + iteration 64: trace = 6.708845702105487 (3.39939e-07% change) linmin: converged after 4 iterations. - iteration 57: trace = 6.708845988806679 (1.6553e-06% change) - linmin: converged after 3 iterations. - iteration 58: trace = 6.708845926155432 (9.3386e-07% change) - linmin: converged after 8 iterations. - iteration 59: trace = 6.708845871821884 (8.09879e-07% change) - linmin: converged after 8 iterations. - iteration 60: trace = 6.708845822810831 (7.30544e-07% change) + iteration 65: trace = 6.708845680311983 (3.24847e-07% change) + linmin: converged after 12 iterations. + iteration 66: trace = 6.708845664242044 (2.39534e-07% change) + linmin: converged after 4 iterations. + iteration 67: trace = 6.708845650776603 (2.00712e-07% change) linmin: converged after 3 iterations. - iteration 61: trace = 6.708845760357077 (9.30917e-07% change) - linmin: converged after 2 iterations. - iteration 62: trace = 6.70884574300153 (2.58696e-07% change) - linmin: converged after 8 iterations. - iteration 63: trace = 6.708845724909551 (2.69673e-07% change) + iteration 68: trace = 6.708845645403581 (8.00886e-08% change) linmin: converged after 3 iterations. - iteration 64: trace = 6.708845702105521 (3.3991e-07% change) - linmin: converged after 2 iterations. - iteration 65: trace = 6.708845680309581 (3.24884e-07% change) - linmin: converged after 7 iterations. - iteration 66: trace = 6.708845664242869 (2.39485e-07% change) - linmin: converged after 4 iterations. - iteration 67: trace = 6.708845650776952 (2.00719e-07% change) - linmin: converged after 8 iterations. - iteration 68: trace = 6.708845645402574 (8.01088e-08% change) - linmin: converged after 15 iterations. - iteration 69: trace = 6.708845642039176 (5.01338e-08% change) + iteration 69: trace = 6.708845642039955 (5.01372e-08% change) resetting CG direction... linmin: converged after 4 iterations. - iteration 70: trace = 6.708845640022382 (3.00617e-08% change) + iteration 70: trace = 6.708845640022787 (3.00673e-08% change) + linmin: converged after 6 iterations. + iteration 71: trace = 6.708845637674559 (3.5002e-08% change) + linmin: converged after 24 iterations. + iteration 72: trace = 6.708845634534506 (4.68047e-08% change) + linmin: converged after 13 iterations. + iteration 73: trace = 6.708845632985962 (2.30821e-08% change) + linmin: converged after 23 iterations. + iteration 74: trace = 6.708845630876028 (3.145e-08% change) + linmin: converged after 6 iterations. + iteration 75: trace = 6.708845629670838 (1.79642e-08% change) + linmin: converged after 6 iterations. + iteration 76: trace = 6.708845628755188 (1.36484e-08% change) linmin: converged after 4 iterations. - iteration 71: trace = 6.708845637673427 (3.50128e-08% change) - linmin: converged after 15 iterations. - iteration 72: trace = 6.708845634534958 (4.67811e-08% change) - linmin: converged after 12 iterations. - iteration 73: trace = 6.708845632986939 (2.30743e-08% change) + iteration 77: trace = 6.708845628229398 (7.83727e-09% change) + large trace change predicted (2.4866e-08%) + linmin: converged after 2 iterations. + iteration 78: trace = 6.708845626561165 (2.48662e-08% change) linmin: converged after 4 iterations. - iteration 74: trace = 6.708845630875617 (3.14707e-08% change) + iteration 79: trace = 6.708845625403788 (1.72515e-08% change) linmin: converged after 4 iterations. - iteration 75: trace = 6.708845629670367 (1.79651e-08% change) - linmin: converged after 24 iterations. - iteration 76: trace = 6.70884562875462 (1.36498e-08% change) - linmin: converged after 3 iterations. - iteration 77: trace = 6.708845628229008 (7.83462e-09% change) - large trace change predicted (2.48639e-08%) - linmin: converged after 25 iterations. - iteration 78: trace = 6.708845626560922 (2.4864e-08% change) + iteration 80: trace = 6.708845624796508 (9.05194e-09% change) + linmin: converged after 19 iterations. + iteration 81: trace = 6.708845624335558 (6.87079e-09% change) linmin: converged after 4 iterations. - iteration 79: trace = 6.70884562540218 (1.72719e-08% change) - linmin: converged after 28 iterations. - iteration 80: trace = 6.70884562479466 (9.05551e-09% change) - linmin: converged after 15 iterations. - iteration 81: trace = 6.708845624335286 (6.84729e-09% change) + iteration 82: trace = 6.708845623794145 (8.07014e-09% change) linmin: converged after 4 iterations. - iteration 82: trace = 6.708845623793696 (8.07277e-09% change) + iteration 83: trace = 6.708845623392814 (5.98211e-09% change) linmin: converged after 21 iterations. - iteration 83: trace = 6.708845623387073 (6.061e-09% change) + iteration 84: trace = 6.708845623153993 (3.5598e-09% change) + linmin: converged after 6 iterations. + iteration 85: trace = 6.708845622824449 (4.91207e-09% change) linmin: converged after 4 iterations. - iteration 84: trace = 6.708845623152627 (3.49458e-09% change) - linmin: converged after 7 iterations. - iteration 85: trace = 6.708845622824246 (4.89474e-09% change) + iteration 86: trace = 6.708845622522188 (4.50541e-09% change) + linmin: converged after 18 iterations. + iteration 87: trace = 6.708845622387536 (2.00707e-09% change) + linmin: converged after 6 iterations. + iteration 88: trace = 6.708845622195887 (2.85667e-09% change) + linmin: converged after 18 iterations. + iteration 89: trace = 6.70884562208388 (1.66955e-09% change) + linmin: converged after 5 iterations. + iteration 90: trace = 6.708845622027289 (8.43531e-10% change) + linmin: converged after 19 iterations. + iteration 91: trace = 6.708845621977007 (7.49481e-10% change) linmin: converged after 4 iterations. - iteration 86: trace = 6.708845622519809 (4.53784e-09% change) - linmin: converged after 10 iterations. - iteration 87: trace = 6.708845622381896 (2.0557e-09% change) - linmin: converged after 3 iterations. - iteration 88: trace = 6.708845622195793 (2.77399e-09% change) + iteration 92: trace = 6.708845621907859 (1.0307e-09% change) + linmin: converged after 2 iterations. + iteration 93: trace = 6.708845621870026 (5.63925e-10% change) linmin: converged after 4 iterations. - iteration 89: trace = 6.708845622083587 (1.6725e-09% change) - linmin: converged after 5 iterations. - iteration 90: trace = 6.708845622026749 (8.47224e-10% change) - linmin: converged after 16 iterations. - iteration 91: trace = 6.708845621976815 (7.44292e-10% change) - linmin: converged after 24 iterations. - iteration 92: trace = 6.708845621907823 (1.02837e-09% change) + iteration 94: trace = 6.708845621841363 (4.27246e-10% change) + linmin: converged after 13 iterations. + iteration 95: trace = 6.708845621811631 (4.43173e-10% change) linmin: converged after 4 iterations. - iteration 93: trace = 6.708845621869335 (5.73695e-10% change) + iteration 96: trace = 6.708845621769525 (6.27617e-10% change) + linmin: converged after 4 iterations. + iteration 97: trace = 6.708845621746176 (3.48025e-10% change) linmin: converged after 3 iterations. - iteration 94: trace = 6.708845621841251 (4.18615e-10% change) + iteration 98: trace = 6.708845621736186 (1.48911e-10% change) linmin: converged after 13 iterations. - iteration 95: trace = 6.708845621811554 (4.42656e-10% change) - linmin: converged after 10 iterations. - iteration 96: trace = 6.70884562176952 (6.26545e-10% change) - linmin: converged after 7 iterations. - iteration 97: trace = 6.708845621746257 (3.4674e-10% change) + iteration 99: trace = 6.708845621726324 (1.47005e-10% change) linmin: converged after 6 iterations. - iteration 98: trace = 6.708845621736258 (1.49044e-10% change) - linmin: converged after 5 iterations. - iteration 99: trace = 6.70884562172633 (1.47985e-10% change) - linmin: converged after 2 iterations. - iteration 100: trace = 6.708845621714904 (1.70319e-10% change) + iteration 100: trace = 6.70884562171491 (1.70133e-10% change) linmin: converged after 4 iterations. - iteration 101: trace = 6.708845621705082 (1.46396e-10% change) + iteration 101: trace = 6.708845621705029 (1.47283e-10% change) linmin: converged after 3 iterations. - iteration 102: trace = 6.708845621699862 (7.78183e-11% change) + iteration 102: trace = 6.708845621699838 (7.73682e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 -elapsed time for k point: 1.2387242317199707 +elapsed time for k point: 2.542381763458252 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.789698633809191 (0.215819% change) + iteration 1: trace = 6.789698640861451 (0.215819% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.777922874907878 (0.173586% change) + iteration 2: trace = 6.777922877737041 (0.173586% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.769206258588999 (0.128686% change) + iteration 3: trace = 6.769206258646129 (0.128686% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.763253549953755 (0.0879767% change) + iteration 4: trace = 6.763253551367551 (0.0879767% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.760899925054087 (0.0348062% change) + iteration 5: trace = 6.760899926657764 (0.0348062% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.758681354754137 (0.0328201% change) + iteration 6: trace = 6.75868135455443 (0.0328201% change) linmin: converged after 3 iterations. - iteration 7: trace = 6.757086651621764 (0.0235977% change) + iteration 7: trace = 6.757086651767944 (0.0235977% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.755832192148723 (0.0185668% change) + iteration 8: trace = 6.755832192494575 (0.0185668% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.754118495779664 (0.0253694% change) + iteration 9: trace = 6.754118495440428 (0.0253694% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.751749081335605 (0.0350872% change) + iteration 10: trace = 6.751749081141424 (0.0350872% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.749302803233563 (0.0362383% change) + iteration 11: trace = 6.749302805579795 (0.0362383% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.748516481140149 (0.0116511% change) + iteration 12: trace = 6.748516481467488 (0.0116511% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.747249224640233 (0.0187801% change) + iteration 13: trace = 6.747249224483678 (0.0187801% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.746632665094483 (0.00913836% change) + iteration 14: trace = 6.746632665005198 (0.00913836% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.745834465752674 (0.0118318% change) + iteration 15: trace = 6.745834466951791 (0.0118318% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.745082856496751 (0.0111424% change) + iteration 16: trace = 6.745082856580287 (0.0111425% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.743977418818899 (0.0163901% change) + iteration 17: trace = 6.743977418317787 (0.0163901% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.743390383242796 (0.00870497% change) + iteration 18: trace = 6.743390381107973 (0.00870499% change) linmin: converged after 4 iterations. - iteration 19: trace = 6.743072678219028 (0.00471147% change) + iteration 19: trace = 6.743072677318737 (0.00471145% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.742715957574696 (0.00529032% change) + iteration 20: trace = 6.742715957521778 (0.00529031% change) + linmin: converged after 4 iterations. + iteration 21: trace = 6.742464018739581 (0.00373653% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.742464020086605 (0.00373651% change) + iteration 22: trace = 6.742330318042049 (0.00198298% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.742330320976678 (0.00198296% change) + iteration 23: trace = 6.742122762263762 (0.00307845% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.742122762408378 (0.00307849% change) + iteration 24: trace = 6.742003826489738 (0.00176409% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.742003826540353 (0.00176409% change) + iteration 25: trace = 6.741880968194836 (0.0018223% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.741880968654315 (0.00182229% change) + iteration 26: trace = 6.741788400386207 (0.00137304% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.741788400424308 (0.00137304% change) + iteration 27: trace = 6.741624608073153 (0.00242954% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.741624608298757 (0.00242954% change) + iteration 28: trace = 6.741503272403072 (0.00179981% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.741503274116909 (0.00179979% change) - linmin: converged after 4 iterations. - iteration 29: trace = 6.741388490429167 (0.00170266% change) - linmin: converged after 8 iterations. - iteration 30: trace = 6.741262264020804 (0.00187243% change) + iteration 29: trace = 6.741388489363317 (0.00170265% change) + linmin: converged after 6 iterations. + iteration 30: trace = 6.741262264059208 (0.00187241% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.741141894022464 (0.00178559% change) + iteration 31: trace = 6.741141893549124 (0.00178559% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.74109194778558 (0.000740919% change) - large trace change predicted (0.0015712%) + iteration 32: trace = 6.741091947525104 (0.000740916% change) + large trace change predicted (0.00157119%) linmin: converged after 3 iterations. - iteration 33: trace = 6.740986068071619 (0.00157067% change) + iteration 33: trace = 6.740986068049176 (0.00157067% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.740890539238255 (0.00141714% change) + iteration 34: trace = 6.740890539396183 (0.00141714% change) + linmin: converged after 5 iterations. + iteration 35: trace = 6.740821369864309 (0.00102612% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.740821369640258 (0.00102612% change) + iteration 36: trace = 6.740737626272201 (0.00124234% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.740737626221328 (0.00124234% change) + iteration 37: trace = 6.740661828964681 (0.00112447% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.740661828861594 (0.00112447% change) + iteration 38: trace = 6.740629875908607 (0.000474036% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.740629875483647 (0.00047404% change) - linmin: converged after 4 iterations. - iteration 39: trace = 6.740602082832254 (0.000412316% change) + iteration 39: trace = 6.740602082860931 (0.000412322% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.740570556701472 (0.000467706% change) - linmin: converged after 15 iterations. - iteration 41: trace = 6.740536128832213 (0.000510757% change) + iteration 40: trace = 6.74057055677319 (0.000467705% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.740511930212224 (0.000359002% change) + iteration 41: trace = 6.740536129170447 (0.000510753% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.740477774203758 (0.000506729% change) + iteration 42: trace = 6.740511930362675 (0.000359005% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.740464323510009 (0.000199551% change) + iteration 43: trace = 6.740477774219896 (0.00050673% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.740454927660496 (0.000139395% change) + iteration 44: trace = 6.740464323511324 (0.000199551% change) + linmin: converged after 5 iterations. + iteration 45: trace = 6.740454927655737 (0.000139395% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.740442913058701 (0.000178246% change) + iteration 46: trace = 6.740442913037723 (0.000178247% change) + linmin: converged after 4 iterations. + iteration 47: trace = 6.740433220338594 (0.000143799% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.740433220383139 (0.000143799% change) + iteration 48: trace = 6.740427239839696 (8.87258e-05% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.740427240072998 (8.8723e-05% change) + iteration 49: trace = 6.740422387232863 (7.19926e-05% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.740422387262584 (7.19956e-05% change) + iteration 50: trace = 6.740416731179712 (8.39125e-05% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.740416731226987 (8.39122e-05% change) + iteration 51: trace = 6.740414147974462 (3.83241e-05% change) linmin: converged after 4 iterations. - iteration 51: trace = 6.740414148071736 (3.83234e-05% change) + iteration 52: trace = 6.740411996825589 (3.19142e-05% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.740411996847174 (3.19153e-05% change) - linmin: converged after 3 iterations. - iteration 53: trace = 6.740409269508348 (4.04625e-05% change) - linmin: converged after 4 iterations. - iteration 54: trace = 6.740406805416326 (3.6557e-05% change) + iteration 53: trace = 6.740409269503295 (4.04623e-05% change) + linmin: converged after 5 iterations. + iteration 54: trace = 6.740406805457891 (3.65563e-05% change) linmin: converged after 4 iterations. - iteration 55: trace = 6.740405527769054 (1.8955e-05% change) + iteration 55: trace = 6.740405527763937 (1.89557e-05% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.740404267303223 (1.87002e-05% change) - linmin: converged after 3 iterations. - iteration 57: trace = 6.740403728427431 (7.99471e-06% change) - linmin: converged after 3 iterations. - iteration 58: trace = 6.74040343819223 (4.3059e-06% change) - linmin: converged after 16 iterations. - iteration 59: trace = 6.740402943820226 (7.33446e-06% change) + iteration 56: trace = 6.74040426729544 (1.87002e-05% change) + linmin: converged after 4 iterations. + iteration 57: trace = 6.740403728431312 (7.99454e-06% change) linmin: converged after 3 iterations. - iteration 60: trace = 6.740402141855679 (1.18979e-05% change) + iteration 58: trace = 6.74040343821672 (4.3056e-06% change) + linmin: converged after 7 iterations. + iteration 59: trace = 6.74040294381777 (7.33486e-06% change) + linmin: converged after 5 iterations. + iteration 60: trace = 6.740402141835069 (1.18981e-05% change) linmin: converged after 3 iterations. - iteration 61: trace = 6.740401774602421 (5.44854e-06% change) + iteration 61: trace = 6.740401774569884 (5.44871e-06% change) linmin: converged after 4 iterations. - iteration 62: trace = 6.740401383698577 (5.79941e-06% change) + iteration 62: trace = 6.740401383698345 (5.79894e-06% change) + linmin: converged after 21 iterations. + iteration 63: trace = 6.740401213335247 (2.52749e-06% change) + linmin: converged after 6 iterations. + iteration 64: trace = 6.740401083429761 (1.92727e-06% change) linmin: converged after 3 iterations. - iteration 63: trace = 6.74040121333598 (2.52748e-06% change) - linmin: converged after 11 iterations. - iteration 64: trace = 6.740401083437249 (1.92717e-06% change) + iteration 65: trace = 6.740400960821545 (1.819e-06% change) + linmin: converged after 20 iterations. + iteration 66: trace = 6.740400775719694 (2.74615e-06% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.740400960825165 (1.81906e-06% change) + iteration 67: trace = 6.740400708161001 (1.00229e-06% change) linmin: converged after 3 iterations. - iteration 66: trace = 6.740400775720624 (2.74619e-06% change) + iteration 68: trace = 6.740400660070397 (7.13468e-07% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.740400708166186 (1.00223e-06% change) - linmin: converged after 19 iterations. - iteration 68: trace = 6.740400660070001 (7.13551e-07% change) - linmin: converged after 31 iterations. - iteration 69: trace = 6.74040062254798 (5.56673e-07% change) + iteration 69: trace = 6.740400622547428 (5.56688e-07% change) resetting CG direction... - linmin: converged after 6 iterations. - iteration 70: trace = 6.74040060312624 (2.88139e-07% change) linmin: converged after 3 iterations. - iteration 71: trace = 6.740400587239849 (2.35689e-07% change) - linmin: converged after 4 iterations. - iteration 72: trace = 6.740400563945599 (3.45591e-07% change) - linmin: converged after 4 iterations. - iteration 73: trace = 6.74040053383998 (4.46644e-07% change) - linmin: converged after 7 iterations. - iteration 74: trace = 6.740400521568885 (1.82053e-07% change) + iteration 70: trace = 6.740400603121152 (2.88207e-07% change) + linmin: converged after 25 iterations. + iteration 71: trace = 6.740400587234104 (2.35699e-07% change) linmin: converged after 3 iterations. - iteration 75: trace = 6.740400502328089 (2.85455e-07% change) + iteration 72: trace = 6.740400563942032 (3.45559e-07% change) linmin: converged after 3 iterations. - iteration 76: trace = 6.740400485759526 (2.4581e-07% change) - linmin: converged after 5 iterations. - iteration 77: trace = 6.740400468356567 (2.58189e-07% change) + iteration 73: trace = 6.74040053383458 (4.46672e-07% change) linmin: converged after 2 iterations. - iteration 78: trace = 6.740400451031929 (2.57027e-07% change) - linmin: converged after 5 iterations. - iteration 79: trace = 6.740400430663574 (3.02183e-07% change) + iteration 74: trace = 6.740400521561845 (1.82077e-07% change) + linmin: converged after 2 iterations. + iteration 75: trace = 6.740400502327783 (2.85355e-07% change) + linmin: converged after 2 iterations. + iteration 76: trace = 6.740400485760162 (2.45796e-07% change) linmin: converged after 3 iterations. - iteration 80: trace = 6.740400419609705 (1.63994e-07% change) - linmin: converged after 6 iterations. - iteration 81: trace = 6.740400411511883 (1.20139e-07% change) - linmin: converged after 4 iterations. - iteration 82: trace = 6.740400400771231 (1.59347e-07% change) - linmin: converged after 16 iterations. - iteration 83: trace = 6.740400386869953 (2.06238e-07% change) - linmin: converged after 7 iterations. - iteration 84: trace = 6.740400376231782 (1.57827e-07% change) + iteration 77: trace = 6.740400468354878 (2.58223e-07% change) linmin: converged after 7 iterations. - iteration 85: trace = 6.740400359188088 (2.52859e-07% change) - linmin: converged after 23 iterations. - iteration 86: trace = 6.740400345751037 (1.99351e-07% change) - linmin: converged after 7 iterations. - iteration 87: trace = 6.740400338469485 (1.08028e-07% change) - linmin: converged after 4 iterations. - iteration 88: trace = 6.740400333644134 (7.15885e-08% change) + iteration 78: trace = 6.740400451032714 (2.5699e-07% change) linmin: converged after 8 iterations. - iteration 89: trace = 6.740400326303966 (1.08898e-07% change) - linmin: converged after 4 iterations. - iteration 90: trace = 6.740400316356354 (1.47582e-07% change) + iteration 79: trace = 6.740400430663469 (3.02196e-07% change) linmin: converged after 3 iterations. - iteration 91: trace = 6.740400308733944 (1.13085e-07% change) + iteration 80: trace = 6.740400419605584 (1.64054e-07% change) + linmin: converged after 4 iterations. + iteration 81: trace = 6.740400411510347 (1.201e-07% change) + linmin: converged after 4 iterations. + iteration 82: trace = 6.740400400770022 (1.59343e-07% change) + linmin: converged after 5 iterations. + iteration 83: trace = 6.740400386870794 (2.06208e-07% change) linmin: converged after 5 iterations. - iteration 92: trace = 6.740400300065566 (1.28603e-07% change) + iteration 84: trace = 6.740400376234819 (1.57794e-07% change) + linmin: converged after 5 iterations. + iteration 85: trace = 6.740400359188582 (2.52896e-07% change) linmin: converged after 7 iterations. - iteration 93: trace = 6.740400294142513 (8.78739e-08% change) + iteration 86: trace = 6.740400345750545 (1.99366e-07% change) + linmin: converged after 2 iterations. + iteration 87: trace = 6.740400338469746 (1.08017e-07% change) linmin: converged after 4 iterations. - iteration 94: trace = 6.740400290938995 (4.75271e-08% change) + iteration 88: trace = 6.740400333643833 (7.15968e-08% change) linmin: converged after 4 iterations. - iteration 95: trace = 6.740400289529077 (2.09174e-08% change) - large trace change predicted (5.3242e-08%) - linmin: converged after 2 iterations. - iteration 96: trace = 6.740400285940314 (5.32426e-08% change) - linmin: converged after 12 iterations. - iteration 97: trace = 6.740400283468649 (3.66694e-08% change) + iteration 89: trace = 6.740400326303956 (1.08894e-07% change) linmin: converged after 4 iterations. - iteration 98: trace = 6.740400281379826 (3.09896e-08% change) + iteration 90: trace = 6.740400316352233 (1.47643e-07% change) linmin: converged after 4 iterations. - iteration 99: trace = 6.740400280637219 (1.10173e-08% change) - linmin: converged after 5 iterations. - iteration 100: trace = 6.7404002796497 (1.46508e-08% change) - linmin: converged after 16 iterations. - iteration 101: trace = 6.740400278730779 (1.3633e-08% change) - linmin: converged after 29 iterations. - iteration 102: trace = 6.740400277986254 (1.10457e-08% change) + iteration 91: trace = 6.740400308721648 (1.13207e-07% change) + linmin: converged after 4 iterations. + iteration 92: trace = 6.740400300062985 (1.28459e-07% change) + linmin: converged after 9 iterations. + iteration 93: trace = 6.740400294141174 (8.78555e-08% change) linmin: converged after 4 iterations. - iteration 103: trace = 6.740400277260739 (1.07637e-08% change) + iteration 94: trace = 6.740400290913058 (4.7892e-08% change) + linmin: converged after 18 iterations. + iteration 95: trace = 6.740400289497243 (2.10049e-08% change) + large trace change predicted (5.2805e-08%) linmin: converged after 4 iterations. - iteration 104: trace = 6.740400276416281 (1.25283e-08% change) + iteration 96: trace = 6.740400285937942 (5.28055e-08% change) linmin: converged after 3 iterations. - iteration 105: trace = 6.740400275748705 (9.9041e-09% change) - linmin: converged after 13 iterations. - iteration 106: trace = 6.740400275455274 (4.35332e-09% change) - linmin: converged after 5 iterations. - iteration 107: trace = 6.740400275281644 (2.57596e-09% change) - linmin: converged after 22 iterations. - iteration 108: trace = 6.740400275011923 (4.00156e-09% change) + iteration 97: trace = 6.740400283463217 (3.67148e-08% change) linmin: converged after 4 iterations. - iteration 109: trace = 6.740400274878135 (1.98487e-09% change) - linmin: converged after 21 iterations. - iteration 110: trace = 6.740400274750899 (1.88766e-09% change) - linmin: converged after 20 iterations. - iteration 111: trace = 6.740400274636951 (1.69052e-09% change) - linmin: converged after 11 iterations. - iteration 112: trace = 6.74040027454282 (1.39652e-09% change) + iteration 98: trace = 6.74040028134382 (3.14432e-08% change) linmin: converged after 6 iterations. - iteration 113: trace = 6.740400274513787 (4.30728e-10% change) - linmin: converged after 13 iterations. - iteration 114: trace = 6.740400274462895 (7.55025e-10% change) + iteration 99: trace = 6.740400280029284 (1.95023e-08% change) + linmin: converged after 14 iterations. + iteration 100: trace = 6.740400279556239 (7.01806e-09% change) linmin: converged after 4 iterations. - iteration 115: trace = 6.740400274397404 (9.71628e-10% change) - linmin: converged after 19 iterations. - iteration 116: trace = 6.74040027435167 (6.78507e-10% change) - linmin: converged after 12 iterations. - iteration 117: trace = 6.740400274329971 (3.21913e-10% change) - linmin: converged after 12 iterations. - iteration 118: trace = 6.740400274300264 (4.40742e-10% change) + iteration 101: trace = 6.740400278706889 (1.26009e-08% change) linmin: converged after 9 iterations. - iteration 119: trace = 6.74040027427553 (3.66951e-10% change) + iteration 102: trace = 6.740400277957828 (1.1113e-08% change) linmin: converged after 4 iterations. - iteration 120: trace = 6.740400274262241 (1.97153e-10% change) - linmin: converged after 12 iterations. - iteration 121: trace = 6.740400274248134 (2.09289e-10% change) + iteration 103: trace = 6.74040027725008 (1.05001e-08% change) + linmin: converged after 6 iterations. + iteration 104: trace = 6.740400276415501 (1.23817e-08% change) + linmin: converged after 4 iterations. + iteration 105: trace = 6.740400275748151 (9.90076e-09% change) + linmin: converged after 15 iterations. + iteration 106: trace = 6.740400275449092 (4.43681e-09% change) + linmin: converged after 4 iterations. + iteration 107: trace = 6.740400275279894 (2.51021e-09% change) + linmin: converged after 3 iterations. + iteration 108: trace = 6.740400275008873 (4.02085e-09% change) + linmin: converged after 24 iterations. + iteration 109: trace = 6.740400274867506 (2.09731e-09% change) + linmin: converged after 7 iterations. + iteration 110: trace = 6.740400274745429 (1.81112e-09% change) + linmin: converged after 4 iterations. + iteration 111: trace = 6.740400274636625 (1.61421e-09% change) + linmin: converged after 15 iterations. + iteration 112: trace = 6.740400274539723 (1.43763e-09% change) + linmin: converged after 2 iterations. + iteration 113: trace = 6.740400274501827 (5.6222e-10% change) + linmin: converged after 4 iterations. + iteration 114: trace = 6.740400274460936 (6.06653e-10% change) + linmin: converged after 20 iterations. + iteration 115: trace = 6.740400274396968 (9.49016e-10% change) linmin: converged after 4 iterations. - iteration 122: trace = 6.74040027423582 (1.82685e-10% change) + iteration 116: trace = 6.740400274346779 (7.44602e-10% change) linmin: converged after 4 iterations. - iteration 123: trace = 6.740400274230122 (8.45301e-11% change) -Finished solving for bands 1 to 8 after 123 iterations. + iteration 117: trace = 6.740400274324457 (3.31176e-10% change) + linmin: converged after 10 iterations. + iteration 118: trace = 6.740400274300108 (3.61233e-10% change) + linmin: converged after 12 iterations. + iteration 119: trace = 6.740400274274156 (3.85017e-10% change) + linmin: converged after 5 iterations. + iteration 120: trace = 6.740400274255693 (2.73922e-10% change) + linmin: converged after 5 iterations. + iteration 121: trace = 6.740400274240774 (2.21333e-10% change) + linmin: converged after 4 iterations. + iteration 122: trace = 6.740400274235373 (8.0129e-11% change) +Finished solving for bands 1 to 8 after 122 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 -elapsed time for k point: 1.6618518829345703 +elapsed time for k point: 4.000620365142822 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.787868894561756 (0.213566% change) + iteration 1: trace = 6.787869131036962 (0.213562% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.776022097859532 (0.174681% change) + iteration 2: trace = 6.776022184685056 (0.174684% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.769929070049329 (0.0899609% change) + iteration 3: trace = 6.769929110656107 (0.0899616% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.767085858919716 (0.0420065% change) + iteration 4: trace = 6.767085903214131 (0.0420064% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.765298899184147 (0.0264101% change) + iteration 5: trace = 6.76529893784572 (0.0264102% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.763340703504475 (0.0289489% change) - linmin: converged after 4 iterations. - iteration 7: trace = 6.760043703128134 (0.04876% change) + iteration 6: trace = 6.763340738832111 (0.0289489% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.757627094571365 (0.0357548% change) + iteration 7: trace = 6.760043765597652 (0.0487596% change) + linmin: converged after 5 iterations. + iteration 8: trace = 6.757627129829937 (0.0357552% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.754119979398712 (0.0519121% change) + iteration 9: trace = 6.754120010583084 (0.0519122% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.75163525675401 (0.036795% change) + iteration 10: trace = 6.751635291017786 (0.036795% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.749275913842616 (0.0349509% change) + iteration 11: trace = 6.749275841749045 (0.0349524% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.748514035543023 (0.0112889% change) - large trace change predicted (0.0342028%) + iteration 12: trace = 6.748513898439189 (0.0112899% change) + large trace change predicted (0.0342013%) linmin: converged after 3 iterations. - iteration 13: trace = 6.746182802192854 (0.0345504% change) + iteration 13: trace = 6.746182767456395 (0.0345488% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.744301253387214 (0.0278945% change) + iteration 14: trace = 6.744300769664274 (0.0279011% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.742003628869275 (0.0340734% change) + iteration 15: trace = 6.742003412442922 (0.0340695% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.740281272288031 (0.0255499% change) + iteration 16: trace = 6.740281200562176 (0.0255478% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.739215834939365 (0.0158083% change) + iteration 17: trace = 6.739215643646952 (0.01581% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.738862256984321 (0.00524671% change) + iteration 18: trace = 6.738862055027246 (0.00524687% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.73833234994108 (0.00786376% change) + iteration 19: trace = 6.738332326270477 (0.00786111% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.737625971738113 (0.0104835% change) + iteration 20: trace = 6.737625986131111 (0.010483% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.737211474384879 (0.00615217% change) + iteration 21: trace = 6.737211471468036 (0.00615243% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.736596697591564 (0.00912551% change) + iteration 22: trace = 6.736596736496211 (0.00912489% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.736116014632835 (0.00713565% change) - linmin: converged after 4 iterations. - iteration 24: trace = 6.735569710627169 (0.0081104% change) + iteration 23: trace = 6.736116024152479 (0.00713609% change) + linmin: converged after 3 iterations. + iteration 24: trace = 6.735569729691633 (0.00811026% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.735310736430284 (0.00384495% change) + iteration 25: trace = 6.735310739414691 (0.00384519% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.734879759572813 (0.00639897% change) + iteration 26: trace = 6.734879755717884 (0.00639907% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.734393376777808 (0.00722211% change) + iteration 27: trace = 6.734393207020597 (0.00722457% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.733901809133098 (0.00729963% change) + iteration 28: trace = 6.733901757301224 (0.00729788% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.733209907494645 (0.0102754% change) + iteration 29: trace = 6.733209964646174 (0.0102738% change) linmin: converged after 5 iterations. - iteration 30: trace = 6.73234965260204 (0.0127771% change) + iteration 30: trace = 6.732349680864258 (0.0127775% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.731921757479517 (0.00635601% change) + iteration 31: trace = 6.731921993238844 (0.00635293% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.73146114838392 (0.0068424% change) + iteration 32: trace = 6.731461181293171 (0.00684541% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.731024257593041 (0.00649049% change) + iteration 33: trace = 6.731024364467298 (0.00648939% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.730758281390215 (0.00395157% change) + iteration 34: trace = 6.730758295826775 (0.00395295% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.730487896341662 (0.00401724% change) + iteration 35: trace = 6.730487963239781 (0.00401646% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.730155611095073 (0.00493714% change) + iteration 36: trace = 6.730155609994504 (0.00493815% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.72972126355817 (0.00645396% change) + iteration 37: trace = 6.729721020072288 (0.00645756% change) linmin: converged after 4 iterations. - iteration 38: trace = 6.729527916186817 (0.00287308% change) + iteration 38: trace = 6.729527784822336 (0.00287141% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.729325307392039 (0.00301079% change) + iteration 39: trace = 6.729325321973416 (0.00300862% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.729238816203681 (0.0012853% change) + iteration 40: trace = 6.729238834151795 (0.00128525% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.729183779395769 (0.000817879% change) - linmin: converged after 6 iterations. - iteration 42: trace = 6.729120115637182 (0.000946089% change) - linmin: converged after 3 iterations. - iteration 43: trace = 6.729017040020709 (0.0015318% change) + iteration 41: trace = 6.729183792049949 (0.000817958% change) + linmin: converged after 4 iterations. + iteration 42: trace = 6.729120140138635 (0.000945913% change) + linmin: converged after 10 iterations. + iteration 43: trace = 6.729017048419902 (0.00153204% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.728962305932486 (0.000813407% change) + iteration 44: trace = 6.728962331344335 (0.000813154% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.728906725084051 (0.000825998% change) + iteration 45: trace = 6.728906736029314 (0.000826213% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.728867495942988 (0.000582996% change) + iteration 46: trace = 6.72886752280901 (0.000582759% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.728848429906664 (0.000283347% change) + iteration 47: trace = 6.728848431634932 (0.000283721% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.728839595428558 (0.000131293% change) + iteration 48: trace = 6.728839603454578 (0.000131199% change) linmin: converged after 5 iterations. - iteration 49: trace = 6.728828036383319 (0.000171784% change) - linmin: converged after 3 iterations. - iteration 50: trace = 6.728815696153597 (0.000183394% change) - linmin: converged after 6 iterations. - iteration 51: trace = 6.72880830562058 (0.000109834% change) - linmin: converged after 4 iterations. - iteration 52: trace = 6.728797313435932 (0.00016336% change) + iteration 49: trace = 6.728828041633498 (0.000171825% change) linmin: converged after 5 iterations. - iteration 53: trace = 6.728790322962288 (0.000103889% change) - linmin: converged after 3 iterations. - iteration 54: trace = 6.728785442530073 (7.25306e-05% change) + iteration 50: trace = 6.728815697425562 (0.000183453% change) linmin: converged after 4 iterations. - iteration 55: trace = 6.728781934730987 (5.21313e-05% change) - linmin: converged after 3 iterations. - iteration 56: trace = 6.728777421027439 (6.70806e-05% change) - linmin: converged after 3 iterations. - iteration 57: trace = 6.728774464387391 (4.39402e-05% change) - linmin: converged after 9 iterations. - iteration 58: trace = 6.728770671402769 (5.63696e-05% change) + iteration 51: trace = 6.728808307359564 (0.000109827% change) + linmin: converged after 5 iterations. + iteration 52: trace = 6.728797325368938 (0.000163209% change) linmin: converged after 3 iterations. - iteration 59: trace = 6.728766383700355 (6.37219e-05% change) + iteration 53: trace = 6.728790329078553 (0.000103975% change) linmin: converged after 3 iterations. - iteration 60: trace = 6.728759702599734 (9.92917e-05% change) - linmin: converged after 5 iterations. - iteration 61: trace = 6.728756008018565 (5.49073e-05% change) + iteration 54: trace = 6.728785446676176 (7.25599e-05% change) + linmin: converged after 4 iterations. + iteration 55: trace = 6.728781938565318 (5.21359e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.72875132999046 (6.9523e-05% change) + iteration 56: trace = 6.728777422778094 (6.71115e-05% change) + linmin: converged after 4 iterations. + iteration 57: trace = 6.728774451842456 (4.41527e-05% change) linmin: converged after 5 iterations. - iteration 63: trace = 6.728747963531919 (5.0031e-05% change) + iteration 58: trace = 6.728770672016333 (5.61741e-05% change) linmin: converged after 3 iterations. - iteration 64: trace = 6.728746082036418 (2.7962e-05% change) + iteration 59: trace = 6.728766387933817 (6.36682e-05% change) + linmin: converged after 4 iterations. + iteration 60: trace = 6.728759704415217 (9.93276e-05% change) + linmin: converged after 4 iterations. + iteration 61: trace = 6.728756010728964 (5.4894e-05% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.728743717519837 (3.51405e-05% change) + iteration 62: trace = 6.728751332586158 (6.95247e-05% change) linmin: converged after 4 iterations. - iteration 66: trace = 6.728741219038851 (3.71315e-05% change) + iteration 63: trace = 6.728747964821566 (5.00504e-05% change) + linmin: converged after 4 iterations. + iteration 64: trace = 6.728746080846179 (2.79989e-05% change) linmin: converged after 8 iterations. - iteration 67: trace = 6.728737885736026 (4.95383e-05% change) + iteration 65: trace = 6.728743719135814 (3.50988e-05% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.728735364539105 (3.74691e-05% change) + iteration 66: trace = 6.728741219553012 (3.71478e-05% change) linmin: converged after 4 iterations. - iteration 69: trace = 6.728731337984738 (5.98412e-05% change) - resetting CG direction... + iteration 67: trace = 6.728737882113636 (4.95998e-05% change) linmin: converged after 4 iterations. - iteration 70: trace = 6.72873034437392 (1.47667e-05% change) - linmin: converged after 3 iterations. - iteration 71: trace = 6.72872960776986 (1.09471e-05% change) + iteration 68: trace = 6.72873536428061 (3.74191e-05% change) linmin: converged after 3 iterations. - iteration 72: trace = 6.728728722987234 (1.31493e-05% change) + iteration 69: trace = 6.728731340105782 (5.98058e-05% change) + resetting CG direction... + linmin: converged after 4 iterations. + iteration 70: trace = 6.728730346437088 (1.47676e-05% change) linmin: converged after 3 iterations. - iteration 73: trace = 6.728727748014585 (1.44897e-05% change) + iteration 71: trace = 6.7287296102217 (1.09414e-05% change) + linmin: converged after 5 iterations. + iteration 72: trace = 6.728728725309153 (1.31513e-05% change) linmin: converged after 3 iterations. - iteration 74: trace = 6.728727116998245 (9.37794e-06% change) + iteration 73: trace = 6.728727749456139 (1.45028e-05% change) linmin: converged after 3 iterations. - iteration 75: trace = 6.728726357738136 (1.12839e-05% change) + iteration 74: trace = 6.728727118022348 (9.38415e-06% change) + linmin: converged after 6 iterations. + iteration 75: trace = 6.728726359531559 (1.12724e-05% change) linmin: converged after 4 iterations. - iteration 76: trace = 6.728725546067456 (1.20628e-05% change) + iteration 76: trace = 6.728725548381308 (1.2055e-05% change) linmin: converged after 3 iterations. - iteration 77: trace = 6.728725087750155 (6.81135e-06% change) - linmin: converged after 2 iterations. - iteration 78: trace = 6.728724366364244 (1.0721e-05% change) - linmin: converged after 5 iterations. - iteration 79: trace = 6.72872358722023 (1.15794e-05% change) + iteration 77: trace = 6.728725091502313 (6.78998e-06% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.728722669521229 (1.36385e-05% change) + iteration 78: trace = 6.728724368396527 (1.07466e-05% change) linmin: converged after 3 iterations. - iteration 81: trace = 6.728722087341527 (8.65216e-06% change) - linmin: converged after 5 iterations. - iteration 82: trace = 6.728721146582687 (1.39812e-05% change) + iteration 79: trace = 6.728723588971228 (1.15836e-05% change) + linmin: converged after 3 iterations. + iteration 80: trace = 6.728722668671786 (1.36772e-05% change) linmin: converged after 3 iterations. - iteration 83: trace = 6.728720479314836 (9.91671e-06% change) + iteration 81: trace = 6.728722087357824 (8.63929e-06% change) + linmin: converged after 7 iterations. + iteration 82: trace = 6.728721147812294 (1.39632e-05% change) + linmin: converged after 13 iterations. + iteration 83: trace = 6.728720480630803 (9.91543e-06% change) + linmin: converged after 14 iterations. + iteration 84: trace = 6.728720022250231 (6.8123e-06% change) + linmin: converged after 4 iterations. + iteration 85: trace = 6.728719587217784 (6.46531e-06% change) + linmin: converged after 4 iterations. + iteration 86: trace = 6.728719152626347 (6.45875e-06% change) + linmin: converged after 11 iterations. + iteration 87: trace = 6.728718340375255 (1.20714e-05% change) linmin: converged after 3 iterations. - iteration 84: trace = 6.728720020913256 (6.81261e-06% change) + iteration 88: trace = 6.728717407165203 (1.38691e-05% change) linmin: converged after 3 iterations. - iteration 85: trace = 6.728719586507617 (6.45599e-06% change) + iteration 89: trace = 6.728717031586748 (5.58172e-06% change) linmin: converged after 3 iterations. - iteration 86: trace = 6.728719151518812 (6.46466e-06% change) + iteration 90: trace = 6.728716494221418 (7.98615e-06% change) + linmin: converged after 15 iterations. + iteration 91: trace = 6.728716173520308 (4.76616e-06% change) linmin: converged after 3 iterations. - iteration 87: trace = 6.72871833949697 (1.2068e-05% change) - linmin: converged after 6 iterations. - iteration 88: trace = 6.728717407324229 (1.38536e-05% change) - linmin: converged after 5 iterations. - iteration 89: trace = 6.728717032618706 (5.56875e-06% change) + iteration 92: trace = 6.728715871447425 (4.48931e-06% change) linmin: converged after 3 iterations. - iteration 90: trace = 6.728716493470611 (8.01264e-06% change) + iteration 93: trace = 6.728715607440366 (3.92359e-06% change) + large trace change predicted (1.12189e-05%) linmin: converged after 4 iterations. - iteration 91: trace = 6.728716172922691 (4.76388e-06% change) - linmin: converged after 4 iterations. - iteration 92: trace = 6.728715871856371 (4.47435e-06% change) + iteration 94: trace = 6.728714852406108 (1.12211e-05% change) linmin: converged after 3 iterations. - iteration 93: trace = 6.72871560707104 (3.93515e-06% change) - large trace change predicted (1.12177e-05%) - linmin: converged after 5 iterations. - iteration 94: trace = 6.728714852116745 (1.12199e-05% change) + iteration 95: trace = 6.728714141787086 (1.0561e-05% change) linmin: converged after 3 iterations. - iteration 95: trace = 6.728714141926561 (1.05546e-05% change) + iteration 96: trace = 6.728713790147111 (5.22596e-06% change) linmin: converged after 4 iterations. - iteration 96: trace = 6.728713790469254 (5.22325e-06% change) - linmin: converged after 7 iterations. - iteration 97: trace = 6.728713564086949 (3.36442e-06% change) - linmin: converged after 3 iterations. - iteration 98: trace = 6.728713374544717 (2.81692e-06% change) + iteration 97: trace = 6.728713564338646 (3.35589e-06% change) + linmin: converged after 4 iterations. + iteration 98: trace = 6.728713374813461 (2.81666e-06% change) linmin: converged after 3 iterations. - iteration 99: trace = 6.72871315826111 (3.21434e-06% change) + iteration 99: trace = 6.728713158583984 (3.21353e-06% change) + linmin: converged after 8 iterations. + iteration 100: trace = 6.728713034371206 (1.84601e-06% change) + large trace change predicted (4.58519e-06%) linmin: converged after 4 iterations. - iteration 100: trace = 6.728713034157771 (1.84438e-06% change) - large trace change predicted (4.57983e-06%) - linmin: converged after 9 iterations. - iteration 101: trace = 6.728712725995033 (4.57982e-06% change) + iteration 101: trace = 6.728712725847025 (4.58519e-06% change) linmin: converged after 2 iterations. - iteration 102: trace = 6.728712544574786 (2.69621e-06% change) - linmin: converged after 3 iterations. - iteration 103: trace = 6.728712456539248 (1.30836e-06% change) - linmin: converged after 19 iterations. - iteration 104: trace = 6.728712395320428 (9.09815e-07% change) - linmin: converged after 5 iterations. - iteration 105: trace = 6.728712336808206 (8.6959e-07% change) - linmin: converged after 5 iterations. - iteration 106: trace = 6.728712234630183 (1.51854e-06% change) + iteration 102: trace = 6.728712543886957 (2.70423e-06% change) + linmin: converged after 6 iterations. + iteration 103: trace = 6.728712456692896 (1.29585e-06% change) + linmin: converged after 2 iterations. + iteration 104: trace = 6.72871239495213 (9.17572e-07% change) linmin: converged after 5 iterations. - iteration 107: trace = 6.728712175439821 (8.79669e-07% change) + iteration 105: trace = 6.728712336779145 (8.64549e-07% change) + linmin: converged after 4 iterations. + iteration 106: trace = 6.728712234119468 (1.5257e-06% change) + linmin: converged after 3 iterations. + iteration 107: trace = 6.728712175230691 (8.75186e-07% change) linmin: converged after 5 iterations. - iteration 108: trace = 6.728712079397628 (1.42735e-06% change) - linmin: converged after 9 iterations. - iteration 109: trace = 6.728712038543444 (6.07162e-07% change) + iteration 108: trace = 6.728712078390714 (1.43921e-06% change) linmin: converged after 2 iterations. - iteration 110: trace = 6.728712017201673 (3.17175e-07% change) + iteration 109: trace = 6.728712037088355 (6.13823e-07% change) linmin: converged after 4 iterations. - iteration 111: trace = 6.728711999264673 (2.66574e-07% change) - linmin: converged after 5 iterations. - iteration 112: trace = 6.728711988069817 (1.66374e-07% change) - large trace change predicted (5.38226e-07%) + iteration 110: trace = 6.728712016997982 (2.98577e-07% change) + linmin: converged after 2 iterations. + iteration 111: trace = 6.7287119995814 (2.5884e-07% change) linmin: converged after 5 iterations. - iteration 113: trace = 6.728711951855484 (5.38206e-07% change) - linmin: converged after 4 iterations. - iteration 114: trace = 6.728711933632973 (2.70817e-07% change) - linmin: converged after 4 iterations. - iteration 115: trace = 6.728711913488169 (2.99386e-07% change) + iteration 112: trace = 6.728711988167984 (1.69623e-07% change) + large trace change predicted (5.45653e-07%) linmin: converged after 7 iterations. - iteration 116: trace = 6.72871190080688 (1.88465e-07% change) + iteration 113: trace = 6.728711951454009 (5.45632e-07% change) linmin: converged after 7 iterations. - iteration 117: trace = 6.728711891984315 (1.31118e-07% change) - linmin: converged after 3 iterations. - iteration 118: trace = 6.728711886212583 (8.57777e-08% change) + iteration 114: trace = 6.728711933875413 (2.61248e-07% change) linmin: converged after 4 iterations. - iteration 119: trace = 6.728711875102345 (1.65117e-07% change) - linmin: converged after 19 iterations. - iteration 120: trace = 6.72871186065501 (2.14712e-07% change) - linmin: converged after 8 iterations. - iteration 121: trace = 6.728711851906814 (1.30013e-07% change) + iteration 115: trace = 6.728711912633354 (3.15693e-07% change) + linmin: converged after 6 iterations. + iteration 116: trace = 6.72871190060396 (1.78777e-07% change) + linmin: converged after 11 iterations. + iteration 117: trace = 6.728711892210939 (1.24734e-07% change) linmin: converged after 4 iterations. - iteration 122: trace = 6.728711845976211 (8.81388e-08% change) + iteration 118: trace = 6.728711886442328 (8.57313e-08% change) linmin: converged after 4 iterations. - iteration 123: trace = 6.728711840102187 (8.72979e-08% change) - linmin: converged after 3 iterations. - iteration 124: trace = 6.728711834480055 (8.35544e-08% change) + iteration 119: trace = 6.72871187512406 (1.68209e-07% change) + linmin: converged after 9 iterations. + iteration 120: trace = 6.72871186029251 (2.20422e-07% change) + linmin: converged after 5 iterations. + iteration 121: trace = 6.728711852295838 (1.18844e-07% change) + linmin: converged after 6 iterations. + iteration 122: trace = 6.72871184597498 (9.39386e-08% change) linmin: converged after 4 iterations. - iteration 125: trace = 6.728711831284315 (4.74941e-08% change) - large trace change predicted (1.17261e-07%) + iteration 123: trace = 6.728711840446691 (8.21597e-08% change) linmin: converged after 3 iterations. - iteration 126: trace = 6.728711823394237 (1.1726e-07% change) - linmin: converged after 3 iterations. - iteration 127: trace = 6.728711817715899 (8.43897e-08% change) - linmin: converged after 3 iterations. - iteration 128: trace = 6.728711814545341 (4.71198e-08% change) + iteration 124: trace = 6.728711834879699 (8.27349e-08% change) + linmin: converged after 16 iterations. + iteration 125: trace = 6.728711831685318 (4.74739e-08% change) + large trace change predicted (1.16554e-07%) linmin: converged after 4 iterations. - iteration 129: trace = 6.728711812179677 (3.51578e-08% change) - large trace change predicted (8.43572e-08%) + iteration 126: trace = 6.728711823842804 (1.16553e-07% change) + linmin: converged after 15 iterations. + iteration 127: trace = 6.728711818234581 (8.33477e-08% change) + linmin: converged after 3 iterations. + iteration 128: trace = 6.728711815038084 (4.75053e-08% change) linmin: converged after 4 iterations. - iteration 130: trace = 6.728711806503583 (8.43563e-08% change) - large trace change predicted (2.30065e-07%) + iteration 129: trace = 6.728711812692525 (3.4859e-08% change) + large trace change predicted (8.41082e-08%) + linmin: converged after 7 iterations. + iteration 130: trace = 6.728711807033185 (8.41073e-08% change) + large trace change predicted (2.27277e-07%) + linmin: converged after 10 iterations. + iteration 131: trace = 6.728711791741209 (2.27265e-07% change) linmin: converged after 5 iterations. - iteration 131: trace = 6.728711791024086 (2.30051e-07% change) - linmin: converged after 13 iterations. - iteration 132: trace = 6.728711774592464 (2.44202e-07% change) + iteration 132: trace = 6.728711775495807 (2.41434e-07% change) + linmin: converged after 25 iterations. + iteration 133: trace = 6.728711762219022 (1.97315e-07% change) linmin: converged after 6 iterations. - iteration 133: trace = 6.728711761313651 (1.97346e-07% change) - linmin: converged after 15 iterations. - iteration 134: trace = 6.728711750477235 (1.61047e-07% change) - large trace change predicted (4.61682e-07%) - linmin: converged after 4 iterations. - iteration 135: trace = 6.728711719412686 (4.61672e-07% change) - large trace change predicted (9.46138e-07%) - linmin: converged after 3 iterations. - iteration 136: trace = 6.728711655745908 (9.46196e-07% change) - large trace change predicted (2.05255e-06%) + iteration 134: trace = 6.728711751589044 (1.57979e-07% change) + large trace change predicted (4.56093e-07%) + linmin: converged after 5 iterations. + iteration 135: trace = 6.72871172090052 (4.56083e-07% change) + large trace change predicted (9.31706e-07%) + linmin: converged after 2 iterations. + iteration 136: trace = 6.728711658205238 (9.31758e-07% change) + large trace change predicted (2.00472e-06%) linmin: converged after 4 iterations. - iteration 137: trace = 6.72871151760072 (2.05307e-06% change) + iteration 137: trace = 6.728711523280785 (2.0052e-06% change) near maximum in trace - linmin: converged after 12 iterations. - iteration 138: trace = 6.728455612532036 (0.00380325% change) + linmin: converged after 16 iterations. + iteration 138: trace = 6.728496963236752 (0.00318877% change) linmin: converged after 5 iterations. - iteration 139: trace = 6.72845477912518 (1.23863e-05% change) + iteration 139: trace = 6.72849605229283 (1.35386e-05% change) resetting CG direction... - large trace change predicted (0.0189297%) - linmin: converged after 5 iterations. - iteration 140: trace = 6.727182327111736 (0.0189133% change) - linmin: converged after 4 iterations. - iteration 141: trace = 6.726299471168846 (0.0131246% change) + large trace change predicted (0.0179181%) linmin: converged after 3 iterations. - iteration 142: trace = 6.725635969876103 (0.00986477% change) + iteration 140: trace = 6.72729169319085 (0.017901% change) + linmin: converged after 4 iterations. + iteration 141: trace = 6.726483360322989 (0.0120164% change) + linmin: converged after 4 iterations. + iteration 142: trace = 6.725829893003075 (0.00971532% change) linmin: converged after 5 iterations. - iteration 143: trace = 6.724685377187572 (0.0141349% change) + iteration 143: trace = 6.72493366907636 (0.013326% change) linmin: converged after 5 iterations. - iteration 144: trace = 6.724133330083055 (0.0082096% change) - large trace change predicted (0.0171562%) + iteration 144: trace = 6.724434967696377 (0.00741598% change) + large trace change predicted (0.0162821%) linmin: converged after 3 iterations. - iteration 145: trace = 6.722973794892795 (0.0172459% change) + iteration 145: trace = 6.723335551737554 (0.0163509% change) linmin: converged after 3 iterations. - iteration 146: trace = 6.721485621133838 (0.0221381% change) + iteration 146: trace = 6.721936913540786 (0.0208049% change) linmin: converged after 3 iterations. - iteration 147: trace = 6.720346345352626 (0.0169512% change) + iteration 147: trace = 6.720860007019335 (0.0160221% change) linmin: converged after 4 iterations. - iteration 148: trace = 6.719989858993058 (0.00530472% change) + iteration 148: trace = 6.720516129114879 (0.00511671% change) linmin: converged after 3 iterations. - iteration 149: trace = 6.719510680923915 (0.00713089% change) + iteration 149: trace = 6.72005961410648 (0.00679309% change) linmin: converged after 3 iterations. - iteration 150: trace = 6.718980140174779 (0.00789584% change) + iteration 150: trace = 6.719567695781137 (0.00732042% change) linmin: converged after 4 iterations. - iteration 151: trace = 6.718449806680475 (0.00789338% change) + iteration 151: trace = 6.719097667685411 (0.00699516% change) linmin: converged after 4 iterations. - iteration 152: trace = 6.71772606218937 (0.0107731% change) - linmin: converged after 5 iterations. - iteration 153: trace = 6.717054313408507 (0.0100001% change) + iteration 152: trace = 6.718389091966365 (0.0105463% change) linmin: converged after 4 iterations. - iteration 154: trace = 6.716295237212367 (0.0113014% change) - linmin: converged after 3 iterations. - iteration 155: trace = 6.715943111232894 (0.005243% change) - large trace change predicted (0.0125295%) + iteration 153: trace = 6.717747685615805 (0.00954748% change) linmin: converged after 4 iterations. - iteration 156: trace = 6.715108776941975 (0.012424% change) + iteration 154: trace = 6.717003451646676 (0.0110792% change) linmin: converged after 4 iterations. - iteration 157: trace = 6.71423638836867 (0.0129923% change) + iteration 155: trace = 6.716649535030269 (0.0052691% change) + large trace change predicted (0.0112011%) linmin: converged after 4 iterations. - iteration 158: trace = 6.713503133059845 (0.0109215% change) - large trace change predicted (0.0266079%) + iteration 156: trace = 6.715900341724358 (0.0111549% change) linmin: converged after 4 iterations. - iteration 159: trace = 6.711719331567473 (0.0265739% change) - linmin: converged after 7 iterations. - iteration 160: trace = 6.709706481994446 (0.0299946% change) + iteration 157: trace = 6.715057636495906 (0.0125487% change) + linmin: converged after 3 iterations. + iteration 158: trace = 6.714368047421658 (0.0102698% change) + large trace change predicted (0.0232645%) linmin: converged after 4 iterations. - iteration 161: trace = 6.70766899384598 (0.0303709% change) + iteration 159: trace = 6.712809993748582 (0.0232075% change) + linmin: converged after 5 iterations. + iteration 160: trace = 6.710891996861516 (0.0285763% change) linmin: converged after 4 iterations. - iteration 162: trace = 6.706395647362942 (0.0189852% change) + iteration 161: trace = 6.708745816543308 (0.0319857% change) linmin: converged after 4 iterations. - iteration 163: trace = 6.704098646677664 (0.0342568% change) + iteration 162: trace = 6.70758660581581 (0.0172806% change) linmin: converged after 4 iterations. - iteration 164: trace = 6.702528235233215 (0.0234274% change) - large trace change predicted (0.0528153%) - linmin: converged after 5 iterations. - iteration 165: trace = 6.699094220494626 (0.0512477% change) - linmin: converged after 5 iterations. - iteration 166: trace = 6.69528242497002 (0.0569164% change) - linmin: converged after 6 iterations. - iteration 167: trace = 6.691348642452727 (0.0587718% change) - linmin: converged after 6 iterations. - iteration 168: trace = 6.687719621241007 (0.0542492% change) + iteration 163: trace = 6.705379527826505 (0.0329096% change) linmin: converged after 4 iterations. - iteration 169: trace = 6.685739983493502 (0.0296055% change) + iteration 164: trace = 6.703497346238292 (0.0280737% change) + linmin: converged after 4 iterations. + iteration 165: trace = 6.700595878303398 (0.0432923% change) + linmin: converged after 9 iterations. + iteration 166: trace = 6.696527313068026 (0.0607379% change) + linmin: converged after 5 iterations. + iteration 167: trace = 6.69268119447419 (0.057451% change) + linmin: converged after 7 iterations. + iteration 168: trace = 6.688677049552969 (0.0598466% change) linmin: converged after 3 iterations. - iteration 170: trace = 6.684455635028102 (0.0192121% change) + iteration 169: trace = 6.686942732733815 (0.0259325% change) linmin: converged after 3 iterations. - iteration 171: trace = 6.682974133859655 (0.0221658% change) + iteration 170: trace = 6.685518855776348 (0.0212957% change) linmin: converged after 3 iterations. - iteration 172: trace = 6.681940912528768 (0.0154617% change) - linmin: converged after 5 iterations. - iteration 173: trace = 6.681084770560249 (0.0128136% change) + iteration 171: trace = 6.684005705162724 (0.0226358% change) + linmin: converged after 3 iterations. + iteration 172: trace = 6.683055585550433 (0.0142158% change) linmin: converged after 4 iterations. - iteration 174: trace = 6.67970035422904 (0.0207236% change) + iteration 173: trace = 6.682077250719044 (0.0146401% change) linmin: converged after 4 iterations. - iteration 175: trace = 6.678201073651787 (0.0224478% change) + iteration 174: trace = 6.680706089298033 (0.0205221% change) linmin: converged after 4 iterations. - iteration 176: trace = 6.676815853159746 (0.0207446% change) + iteration 175: trace = 6.679288876253398 (0.0212158% change) linmin: converged after 4 iterations. - iteration 177: trace = 6.674980260576841 (0.0274958% change) + iteration 176: trace = 6.67769860474827 (0.0238118% change) linmin: converged after 4 iterations. - iteration 178: trace = 6.673011495981964 (0.029499% change) + iteration 177: trace = 6.675983319281102 (0.0256901% change) linmin: converged after 4 iterations. - iteration 179: trace = 6.671101800743234 (0.0286223% change) + iteration 178: trace = 6.674070448935363 (0.0286571% change) + linmin: converged after 5 iterations. + iteration 179: trace = 6.671905339047649 (0.0324459% change) linmin: converged after 4 iterations. - iteration 180: trace = 6.669499722953774 (0.0240181% change) + iteration 180: trace = 6.670433407164131 (0.0220641% change) linmin: converged after 4 iterations. - iteration 181: trace = 6.668410911847893 (0.0163266% change) + iteration 181: trace = 6.669409020171365 (0.0153583% change) linmin: converged after 4 iterations. - iteration 182: trace = 6.667342381864346 (0.016025% change) + iteration 182: trace = 6.668180561876174 (0.018421% change) linmin: converged after 4 iterations. - iteration 183: trace = 6.666216424602033 (0.0168891% change) + iteration 183: trace = 6.667087337699036 (0.016396% change) linmin: converged after 4 iterations. - iteration 184: trace = 6.665554827706494 (0.00992512% change) - linmin: converged after 3 iterations. - iteration 185: trace = 6.665106293874628 (0.00672936% change) + iteration 184: trace = 6.666481287171367 (0.0090906% change) linmin: converged after 4 iterations. - iteration 186: trace = 6.664528835344536 (0.00866428% change) + iteration 185: trace = 6.665969009287798 (0.00768468% change) linmin: converged after 4 iterations. - iteration 187: trace = 6.663957288068281 (0.00857633% change) + iteration 186: trace = 6.665376381456404 (0.00889074% change) linmin: converged after 3 iterations. - iteration 188: trace = 6.663542183959137 (0.00622929% change) + iteration 187: trace = 6.664850263268718 (0.00789361% change) linmin: converged after 3 iterations. - iteration 189: trace = 6.663082759104757 (0.00689484% change) + iteration 188: trace = 6.664377217486245 (0.00709787% change) linmin: converged after 4 iterations. - iteration 190: trace = 6.662460864341498 (0.00933387% change) + iteration 189: trace = 6.663879358752522 (0.00747073% change) + linmin: converged after 5 iterations. + iteration 190: trace = 6.663329858957248 (0.00824628% change) linmin: converged after 4 iterations. - iteration 191: trace = 6.661699427146337 (0.0114294% change) + iteration 191: trace = 6.662526578960382 (0.012056% change) linmin: converged after 4 iterations. - iteration 192: trace = 6.660790647771726 (0.0136428% change) + iteration 192: trace = 6.661487939743962 (0.0155905% change) linmin: converged after 4 iterations. - iteration 193: trace = 6.660009515564351 (0.011728% change) - linmin: converged after 3 iterations. - iteration 194: trace = 6.659479416569215 (0.00795975% change) - linmin: converged after 3 iterations. - iteration 195: trace = 6.658939745613951 (0.00810413% change) - linmin: converged after 5 iterations. - iteration 196: trace = 6.658371335571489 (0.00853641% change) - linmin: converged after 3 iterations. - iteration 197: trace = 6.658028192771436 (0.00515369% change) + iteration 193: trace = 6.660741482372119 (0.0112062% change) + linmin: converged after 4 iterations. + iteration 194: trace = 6.660214767360173 (0.00790807% change) + linmin: converged after 4 iterations. + iteration 195: trace = 6.65959843248577 (0.00925441% change) linmin: converged after 3 iterations. - iteration 198: trace = 6.65780389832038 (0.00336884% change) + iteration 196: trace = 6.659013590820788 (0.00878232% change) linmin: converged after 3 iterations. - iteration 199: trace = 6.657527938522096 (0.00414499% change) + iteration 197: trace = 6.658670540881428 (0.0051518% change) linmin: converged after 3 iterations. - iteration 200: trace = 6.657210110490546 (0.00477408% change) + iteration 198: trace = 6.65841493196519 (0.00383881% change) linmin: converged after 3 iterations. - iteration 201: trace = 6.656939773203598 (0.0040609% change) + iteration 199: trace = 6.658130065745863 (0.00427838% change) linmin: converged after 3 iterations. - iteration 202: trace = 6.65663275280087 (0.00461214% change) + iteration 200: trace = 6.657842009810334 (0.00432647% change) linmin: converged after 4 iterations. - iteration 203: trace = 6.656220181129199 (0.0061981% change) + iteration 201: trace = 6.657556259711143 (0.00429202% change) linmin: converged after 3 iterations. - iteration 204: trace = 6.655787210539536 (0.00650496% change) + iteration 202: trace = 6.657216709973985 (0.00510035% change) + linmin: converged after 4 iterations. + iteration 203: trace = 6.656852095998891 (0.00547712% change) linmin: converged after 3 iterations. - iteration 205: trace = 6.655354811029838 (0.00649681% change) + iteration 204: trace = 6.656459058615156 (0.00590443% change) + linmin: converged after 4 iterations. + iteration 205: trace = 6.655958827168101 (0.00751526% change) linmin: converged after 3 iterations. - iteration 206: trace = 6.654965899747946 (0.00584376% change) + iteration 206: trace = 6.655516807588693 (0.00664118% change) linmin: converged after 3 iterations. - iteration 207: trace = 6.654688657768218 (0.00416603% change) + iteration 207: trace = 6.655239798139959 (0.00416219% change) linmin: converged after 3 iterations. - iteration 208: trace = 6.654418905049741 (0.00405366% change) + iteration 208: trace = 6.654966209363305 (0.00411096% change) linmin: converged after 3 iterations. - iteration 209: trace = 6.654089275950134 (0.00495366% change) + iteration 209: trace = 6.654615756002599 (0.00526618% change) resetting CG direction... + linmin: converged after 3 iterations. + iteration 210: trace = 6.653979604991168 (0.00956% change) linmin: converged after 4 iterations. - iteration 210: trace = 6.65353050680927 (0.00839773% change) + iteration 211: trace = 6.653218593654713 (0.0114376% change) linmin: converged after 4 iterations. - iteration 211: trace = 6.652818155630912 (0.0107069% change) + iteration 212: trace = 6.652201431611209 (0.0152894% change) linmin: converged after 4 iterations. - iteration 212: trace = 6.651859015156793 (0.0144181% change) + iteration 213: trace = 6.65147749573334 (0.0108832% change) linmin: converged after 3 iterations. - iteration 213: trace = 6.651104171634607 (0.0113485% change) - linmin: converged after 4 iterations. - iteration 214: trace = 6.650627750983518 (0.00716329% change) - large trace change predicted (0.0177726%) + iteration 214: trace = 6.650964114119063 (0.00771861% change) + large trace change predicted (0.0193546%) linmin: converged after 3 iterations. - iteration 215: trace = 6.649437249189945 (0.0179022% change) + iteration 215: trace = 6.649666222529873 (0.0195162% change) linmin: converged after 3 iterations. - iteration 216: trace = 6.648413225964701 (0.0154013% change) + iteration 216: trace = 6.64868042765127 (0.0148258% change) linmin: converged after 3 iterations. - iteration 217: trace = 6.647960793560716 (0.00680535% change) + iteration 217: trace = 6.648057836496214 (0.00936457% change) linmin: converged after 3 iterations. - iteration 218: trace = 6.647543225011817 (0.00628135% change) + iteration 218: trace = 6.647743680490572 (0.00472564% change) linmin: converged after 3 iterations. - iteration 219: trace = 6.647045240060661 (0.00749154% change) - linmin: converged after 9 iterations. - iteration 220: trace = 6.646132649523531 (0.0137302% change) + iteration 219: trace = 6.647208628992315 (0.00804894% change) + linmin: converged after 3 iterations. + iteration 220: trace = 6.646298117029749 (0.0136986% change) + linmin: converged after 3 iterations. + iteration 221: trace = 6.645599180900577 (0.0105167% change) + linmin: converged after 3 iterations. + iteration 222: trace = 6.644595576685413 (0.0151029% change) linmin: converged after 3 iterations. - iteration 221: trace = 6.645487984623257 (0.00970032% change) + iteration 223: trace = 6.644097086546495 (0.00750247% change) + linmin: converged after 3 iterations. + iteration 224: trace = 6.643772772082394 (0.00488136% change) linmin: converged after 4 iterations. - iteration 222: trace = 6.644378773638831 (0.0166926% change) - linmin: converged after 6 iterations. - iteration 223: trace = 6.643944767391035 (0.00653214% change) + iteration 225: trace = 6.643495814646651 (0.00416876% change) + large trace change predicted (0.0106768%) linmin: converged after 4 iterations. - iteration 224: trace = 6.643664019338058 (0.00422571% change) - linmin: converged after 3 iterations. - iteration 225: trace = 6.64332820593677 (0.00505477% change) - large trace change predicted (0.0103065%) + iteration 226: trace = 6.642785205699263 (0.0106969% change) linmin: converged after 4 iterations. - iteration 226: trace = 6.642643324643781 (0.0103098% change) + iteration 227: trace = 6.642287015948828 (0.00749999% change) + linmin: converged after 5 iterations. + iteration 228: trace = 6.64174583793026 (0.0081478% change) linmin: converged after 4 iterations. - iteration 227: trace = 6.642051208593299 (0.00891426% change) + iteration 229: trace = 6.641208328703908 (0.00809322% change) linmin: converged after 4 iterations. - iteration 228: trace = 6.64157854661328 (0.00711646% change) + iteration 230: trace = 6.640747751722186 (0.00693538% change) linmin: converged after 4 iterations. - iteration 229: trace = 6.641038717103832 (0.00812836% change) + iteration 231: trace = 6.640529350610269 (0.00328886% change) linmin: converged after 4 iterations. - iteration 230: trace = 6.640707914272707 (0.00498132% change) - linmin: converged after 3 iterations. - iteration 231: trace = 6.640453786039423 (0.0038269% change) - linmin: converged after 5 iterations. - iteration 232: trace = 6.64016316627796 (0.0043766% change) + iteration 232: trace = 6.640209002378969 (0.00482425% change) linmin: converged after 4 iterations. - iteration 233: trace = 6.639743713274357 (0.00631711% change) + iteration 233: trace = 6.639843694588195 (0.0055016% change) linmin: converged after 5 iterations. - iteration 234: trace = 6.639544583635618 (0.0029991% change) + iteration 234: trace = 6.639595338447476 (0.00374046% change) linmin: converged after 4 iterations. - iteration 235: trace = 6.639282699782756 (0.00394438% change) + iteration 235: trace = 6.639337712689807 (0.00388022% change) linmin: converged after 4 iterations. - iteration 236: trace = 6.639199970545302 (0.00124606% change) - linmin: converged after 3 iterations. - iteration 237: trace = 6.639142258329993 (0.000869268% change) - linmin: converged after 3 iterations. - iteration 238: trace = 6.639077815760677 (0.000970651% change) + iteration 236: trace = 6.639222719883426 (0.00173201% change) linmin: converged after 3 iterations. - iteration 239: trace = 6.63900571480012 (0.00108601% change) + iteration 237: trace = 6.639165809398814 (0.00085719% change) linmin: converged after 3 iterations. - iteration 240: trace = 6.638961920800485 (0.000659649% change) + iteration 238: trace = 6.639089694226782 (0.00114646% change) linmin: converged after 4 iterations. - iteration 241: trace = 6.638889265379303 (0.00109439% change) - linmin: converged after 9 iterations. - iteration 242: trace = 6.638839156673328 (0.000754778% change) - linmin: converged after 6 iterations. - iteration 243: trace = 6.638817271016363 (0.000329661% change) + iteration 239: trace = 6.639015513604635 (0.00111734% change) linmin: converged after 4 iterations. - iteration 244: trace = 6.638804458011224 (0.000193002% change) + iteration 240: trace = 6.638972352133721 (0.000650121% change) linmin: converged after 7 iterations. - iteration 245: trace = 6.63879256208756 (0.000179188% change) + iteration 241: trace = 6.638902462342726 (0.00105273% change) linmin: converged after 5 iterations. - iteration 246: trace = 6.638785642117927 (0.000104235% change) - linmin: converged after 4 iterations. - iteration 247: trace = 6.638774357143365 (0.000169986% change) - linmin: converged after 4 iterations. - iteration 248: trace = 6.638762419902748 (0.000179811% change) + iteration 242: trace = 6.638846994028447 (0.000835508% change) + linmin: converged after 7 iterations. + iteration 243: trace = 6.638819500466276 (0.000414132% change) linmin: converged after 3 iterations. - iteration 249: trace = 6.638756892922508 (8.32532e-05% change) - linmin: converged after 5 iterations. - iteration 250: trace = 6.638752819643989 (6.13561e-05% change) + iteration 244: trace = 6.63880608064523 (0.000202142% change) linmin: converged after 3 iterations. - iteration 251: trace = 6.63874927416594 (5.34058e-05% change) + iteration 245: trace = 6.638792717858658 (0.000201283% change) linmin: converged after 4 iterations. - iteration 252: trace = 6.638747235213456 (3.07129e-05% change) + iteration 246: trace = 6.638786869744692 (8.80901e-05% change) + large trace change predicted (0.000180012%) linmin: converged after 3 iterations. - iteration 253: trace = 6.63874557978159 (2.49359e-05% change) - linmin: converged after 5 iterations. - iteration 254: trace = 6.638743011193025 (3.86909e-05% change) - linmin: converged after 6 iterations. - iteration 255: trace = 6.638741044421006 (2.96257e-05% change) - linmin: converged after 6 iterations. - iteration 256: trace = 6.638739280427623 (2.65712e-05% change) - linmin: converged after 4 iterations. - iteration 257: trace = 6.638738498218535 (1.17825e-05% change) + iteration 247: trace = 6.638774923260716 (0.00017995% change) linmin: converged after 3 iterations. - iteration 258: trace = 6.638737828200221 (1.00926e-05% change) - linmin: converged after 4 iterations. - iteration 259: trace = 6.638737464213616 (5.48277e-06% change) - large trace change predicted (1.11011e-05%) + iteration 248: trace = 6.638764420528742 (0.000158203% change) linmin: converged after 3 iterations. - iteration 260: trace = 6.638736727271766 (1.11006e-05% change) + iteration 249: trace = 6.638757353489586 (0.000106451% change) + linmin: converged after 4 iterations. + iteration 250: trace = 6.638753655777196 (5.56989e-05% change) linmin: converged after 3 iterations. - iteration 261: trace = 6.638736181512872 (8.22082e-06% change) + iteration 251: trace = 6.638749452632469 (6.33123e-05% change) linmin: converged after 4 iterations. - iteration 262: trace = 6.638735682437151 (7.51763e-06% change) - linmin: converged after 2 iterations. - iteration 263: trace = 6.638735297469644 (5.79881e-06% change) + iteration 252: trace = 6.63874762843966 (2.7478e-05% change) + linmin: converged after 5 iterations. + iteration 253: trace = 6.638745770381474 (2.79881e-05% change) linmin: converged after 4 iterations. - iteration 264: trace = 6.638735062412199 (3.5407e-06% change) + iteration 254: trace = 6.638743654139198 (3.18771e-05% change) linmin: converged after 4 iterations. - iteration 265: trace = 6.638734959978824 (1.54297e-06% change) - linmin: converged after 11 iterations. - iteration 266: trace = 6.638734784019256 (2.6505e-06% change) - linmin: converged after 6 iterations. - iteration 267: trace = 6.638734592568151 (2.88385e-06% change) - linmin: converged after 13 iterations. - iteration 268: trace = 6.638734439874332 (2.30004e-06% change) - linmin: converged after 4 iterations. - iteration 269: trace = 6.638734297757939 (2.14072e-06% change) + iteration 255: trace = 6.638741350734973 (3.46964e-05% change) linmin: converged after 4 iterations. - iteration 270: trace = 6.638734209238205 (1.33338e-06% change) - linmin: converged after 22 iterations. - iteration 271: trace = 6.638734172736284 (5.49833e-07% change) + iteration 256: trace = 6.638739804709138 (2.32879e-05% change) linmin: converged after 5 iterations. - iteration 272: trace = 6.638734126806183 (6.9185e-07% change) - linmin: converged after 6 iterations. - iteration 273: trace = 6.638734049139085 (1.16991e-06% change) + iteration 257: trace = 6.638738669251487 (1.71035e-05% change) + linmin: converged after 5 iterations. + iteration 258: trace = 6.638737995315019 (1.01516e-05% change) linmin: converged after 6 iterations. - iteration 274: trace = 6.638733996458739 (7.9353e-07% change) - linmin: converged after 17 iterations. - iteration 275: trace = 6.638733928256021 (1.02735e-06% change) - linmin: converged after 8 iterations. - iteration 276: trace = 6.638733864854569 (9.55023e-07% change) + iteration 259: trace = 6.63873760814984 (5.83191e-06% change) + linmin: converged after 4 iterations. + iteration 260: trace = 6.638736975731822 (9.52618e-06% change) + linmin: converged after 3 iterations. + iteration 261: trace = 6.638736294176336 (1.02663e-05% change) linmin: converged after 5 iterations. - iteration 277: trace = 6.638733827572725 (5.61581e-07% change) - linmin: converged after 11 iterations. - iteration 278: trace = 6.638733802915664 (3.71412e-07% change) - linmin: converged after 7 iterations. - iteration 279: trace = 6.638733768579168 (5.17215e-07% change) - resetting CG direction... + iteration 262: trace = 6.638735839151034 (6.8541e-06% change) linmin: converged after 5 iterations. - iteration 280: trace = 6.638733756338033 (1.8439e-07% change) - linmin: converged after 3 iterations. - iteration 281: trace = 6.638733742254126 (2.12147e-07% change) + iteration 263: trace = 6.638735345491657 (7.43605e-06% change) linmin: converged after 3 iterations. - iteration 282: trace = 6.638733724900183 (2.61404e-07% change) - linmin: converged after 8 iterations. - iteration 283: trace = 6.638733705213524 (2.96542e-07% change) + iteration 264: trace = 6.638735094546482 (3.78001e-06% change) + linmin: converged after 20 iterations. + iteration 265: trace = 6.638734983224069 (1.67686e-06% change) + linmin: converged after 5 iterations. + iteration 266: trace = 6.638734801873257 (2.73171e-06% change) linmin: converged after 4 iterations. - iteration 284: trace = 6.638733691658619 (2.04179e-07% change) + iteration 267: trace = 6.638734654017373 (2.22717e-06% change) linmin: converged after 5 iterations. - iteration 285: trace = 6.638733669490968 (3.33914e-07% change) + iteration 268: trace = 6.638734484498977 (2.55347e-06% change) linmin: converged after 7 iterations. - iteration 286: trace = 6.638733650986479 (2.78735e-07% change) + iteration 269: trace = 6.638734332130647 (2.29514e-06% change) + linmin: converged after 7 iterations. + iteration 270: trace = 6.63873420457886 (1.92133e-06% change) linmin: converged after 4 iterations. - iteration 287: trace = 6.638733642951382 (1.21034e-07% change) - linmin: converged after 18 iterations. - iteration 288: trace = 6.638733629612545 (2.00924e-07% change) - linmin: converged after 10 iterations. - iteration 289: trace = 6.638733611583582 (2.71572e-07% change) - linmin: converged after 10 iterations. - iteration 290: trace = 6.638733588865441 (3.42206e-07% change) + iteration 271: trace = 6.638734170222909 (5.17508e-07% change) + linmin: converged after 7 iterations. + iteration 272: trace = 6.638734116756808 (8.05366e-07% change) linmin: converged after 5 iterations. - iteration 291: trace = 6.638733574592166 (2.15e-07% change) - linmin: converged after 21 iterations. - iteration 292: trace = 6.63873355337761 (3.19557e-07% change) + iteration 273: trace = 6.638734058698566 (8.74538e-07% change) + linmin: converged after 5 iterations. + iteration 274: trace = 6.63873399546925 (9.5243e-07% change) linmin: converged after 4 iterations. - iteration 293: trace = 6.638733545016619 (1.25943e-07% change) - linmin: converged after 2 iterations. - iteration 294: trace = 6.638733539502492 (8.30599e-08% change) + iteration 275: trace = 6.638733932248243 (9.52305e-07% change) + linmin: converged after 5 iterations. + iteration 276: trace = 6.638733852553821 (1.20045e-06% change) linmin: converged after 4 iterations. - iteration 295: trace = 6.638733533293647 (9.35245e-08% change) - linmin: converged after 9 iterations. - iteration 296: trace = 6.6387335213748 (1.79535e-07% change) + iteration 277: trace = 6.63873382391973 (4.31319e-07% change) + linmin: converged after 5 iterations. + iteration 278: trace = 6.638733792293237 (4.76393e-07% change) + linmin: converged after 5 iterations. + iteration 279: trace = 6.638733763512676 (4.33525e-07% change) + resetting CG direction... + linmin: converged after 16 iterations. + iteration 280: trace = 6.638733752107141 (1.71803e-07% change) linmin: converged after 4 iterations. - iteration 297: trace = 6.638733507025406 (2.16147e-07% change) + iteration 281: trace = 6.63873373936176 (1.91985e-07% change) linmin: converged after 5 iterations. - iteration 298: trace = 6.638733498379596 (1.30233e-07% change) + iteration 282: trace = 6.638733721252703 (2.72779e-07% change) + linmin: converged after 4 iterations. + iteration 283: trace = 6.638733697470379 (3.58236e-07% change) + linmin: converged after 4 iterations. + iteration 284: trace = 6.638733685366086 (1.82328e-07% change) + linmin: converged after 4 iterations. + iteration 285: trace = 6.638733662926075 (3.38016e-07% change) + linmin: converged after 4 iterations. + iteration 286: trace = 6.638733649275423 (2.05621e-07% change) linmin: converged after 5 iterations. - iteration 299: trace = 6.638733494484282 (5.86756e-08% change) - linmin: converged after 13 iterations. - iteration 300: trace = 6.638733490927248 (5.358e-08% change) - linmin: converged after 7 iterations. - iteration 301: trace = 6.638733485200473 (8.62631e-08% change) - linmin: converged after 6 iterations. - iteration 302: trace = 6.638733476865669 (1.25548e-07% change) + iteration 287: trace = 6.638733639159769 (1.52373e-07% change) linmin: converged after 4 iterations. - iteration 303: trace = 6.638733473190711 (5.53563e-08% change) + iteration 288: trace = 6.638733628871877 (1.54968e-07% change) + large trace change predicted (3.97332e-07%) + linmin: converged after 5 iterations. + iteration 289: trace = 6.638733602494101 (3.97331e-07% change) + linmin: converged after 8 iterations. + iteration 290: trace = 6.638733579895577 (3.40404e-07% change) linmin: converged after 4 iterations. - iteration 304: trace = 6.638733468883077 (6.48864e-08% change) + iteration 291: trace = 6.63873356599051 (2.09454e-07% change) linmin: converged after 7 iterations. - iteration 305: trace = 6.638733466908565 (2.97423e-08% change) + iteration 292: trace = 6.638733550713064 (2.30126e-07% change) linmin: converged after 4 iterations. - iteration 306: trace = 6.638733465375948 (2.3086e-08% change) + iteration 293: trace = 6.638733543728417 (1.05211e-07% change) + linmin: converged after 4 iterations. + iteration 294: trace = 6.638733537913732 (8.75873e-08% change) linmin: converged after 14 iterations. - iteration 307: trace = 6.638733464134324 (1.87027e-08% change) + iteration 295: trace = 6.638733531219156 (1.00841e-07% change) + large trace change predicted (2.23511e-07%) + linmin: converged after 10 iterations. + iteration 296: trace = 6.638733516381063 (2.23508e-07% change) linmin: converged after 4 iterations. - iteration 308: trace = 6.638733462306688 (2.75299e-08% change) + iteration 297: trace = 6.638733504961065 (1.72021e-07% change) + linmin: converged after 13 iterations. + iteration 298: trace = 6.638733499170597 (8.72225e-08% change) + linmin: converged after 6 iterations. + iteration 299: trace = 6.638733494745578 (6.66546e-08% change) linmin: converged after 4 iterations. - iteration 309: trace = 6.638733460482195 (2.74826e-08% change) + iteration 300: trace = 6.63873349025442 (6.76508e-08% change) linmin: converged after 4 iterations. - iteration 310: trace = 6.63873345961143 (1.31164e-08% change) + iteration 301: trace = 6.638733483199136 (1.06275e-07% change) + linmin: converged after 6 iterations. + iteration 302: trace = 6.638733477349042 (8.81206e-08% change) linmin: converged after 4 iterations. - iteration 311: trace = 6.638733458642567 (1.45941e-08% change) + iteration 303: trace = 6.638733471926166 (8.16854e-08% change) linmin: converged after 4 iterations. - iteration 312: trace = 6.638733458134778 (7.64888e-09% change) - linmin: converged after 5 iterations. - iteration 313: trace = 6.638733457645783 (7.3658e-09% change) + iteration 304: trace = 6.638733468406597 (5.30157e-08% change) linmin: converged after 4 iterations. - iteration 314: trace = 6.638733457352856 (4.41239e-09% change) - linmin: converged after 4 iterations. - iteration 315: trace = 6.63873345684477 (7.65336e-09% change) + iteration 305: trace = 6.638733466630242 (2.67574e-08% change) + linmin: converged after 13 iterations. + iteration 306: trace = 6.638733465585219 (1.57413e-08% change) linmin: converged after 5 iterations. - iteration 316: trace = 6.638733456403953 (6.64008e-09% change) + iteration 307: trace = 6.638733463666293 (2.8905e-08% change) linmin: converged after 4 iterations. - iteration 317: trace = 6.638733456152282 (3.79094e-09% change) + iteration 308: trace = 6.638733461560223 (3.1724e-08% change) linmin: converged after 4 iterations. - iteration 318: trace = 6.638733456030275 (1.83781e-09% change) - linmin: converged after 3 iterations. - iteration 319: trace = 6.638733455903995 (1.90217e-09% change) - linmin: converged after 4 iterations. - iteration 320: trace = 6.638733455817198 (1.30742e-09% change) + iteration 309: trace = 6.638733460353873 (1.81714e-08% change) + linmin: converged after 7 iterations. + iteration 310: trace = 6.638733459372367 (1.47845e-08% change) + linmin: converged after 7 iterations. + iteration 311: trace = 6.638733458546906 (1.2434e-08% change) linmin: converged after 4 iterations. - iteration 321: trace = 6.638733455756419 (9.1552e-10% change) - linmin: converged after 3 iterations. - iteration 322: trace = 6.638733455702256 (8.15875e-10% change) + iteration 312: trace = 6.638733458034511 (7.71826e-09% change) + linmin: converged after 7 iterations. + iteration 313: trace = 6.638733457621008 (6.22864e-09% change) + linmin: converged after 15 iterations. + iteration 314: trace = 6.638733457335751 (4.29686e-09% change) + large trace change predicted (1.06967e-08%) linmin: converged after 5 iterations. - iteration 323: trace = 6.638733455632201 (1.05525e-09% change) - linmin: converged after 4 iterations. - iteration 324: trace = 6.638733455567437 (9.75537e-10% change) - linmin: converged after 2 iterations. - iteration 325: trace = 6.638733455543287 (3.63781e-10% change) - linmin: converged after 3 iterations. - iteration 326: trace = 6.638733455532377 (1.64331e-10% change) + iteration 315: trace = 6.638733456625658 (1.06962e-08% change) + linmin: converged after 6 iterations. + iteration 316: trace = 6.638733456304072 (4.84408e-09% change) + linmin: converged after 15 iterations. + iteration 317: trace = 6.638733456122004 (2.74251e-09% change) linmin: converged after 3 iterations. - iteration 327: trace = 6.638733455516046 (2.45995e-10% change) + iteration 318: trace = 6.638733455993431 (1.93672e-09% change) + linmin: converged after 19 iterations. + iteration 319: trace = 6.638733455877123 (1.75196e-09% change) + linmin: converged after 13 iterations. + iteration 320: trace = 6.638733455803544 (1.10832e-09% change) + linmin: converged after 12 iterations. + iteration 321: trace = 6.638733455753677 (7.51162e-10% change) + linmin: converged after 21 iterations. + iteration 322: trace = 6.638733455681622 (1.08536e-09% change) + linmin: converged after 18 iterations. + iteration 323: trace = 6.638733455613798 (1.02165e-09% change) linmin: converged after 4 iterations. - iteration 328: trace = 6.638733455504073 (1.80359e-10% change) + iteration 324: trace = 6.638733455575554 (5.76061e-10% change) + linmin: converged after 9 iterations. + iteration 325: trace = 6.638733455551931 (3.55848e-10% change) linmin: converged after 4 iterations. - iteration 329: trace = 6.638733455493956 (1.52397e-10% change) + iteration 326: trace = 6.638733455530565 (3.21839e-10% change) + linmin: converged after 9 iterations. + iteration 327: trace = 6.638733455520651 (1.49333e-10% change) + linmin: converged after 10 iterations. + iteration 328: trace = 6.638733455508835 (1.77977e-10% change) + linmin: converged after 2 iterations. + iteration 329: trace = 6.638733455498822 (1.50832e-10% change) + linmin: converged after 4 iterations. + iteration 330: trace = 6.638733455486697 (1.82646e-10% change) linmin: converged after 6 iterations. - iteration 330: trace = 6.638733455486666 (1.09799e-10% change) - linmin: converged after 3 iterations. - iteration 331: trace = 6.63873345548043 (9.39321e-11% change) + iteration 331: trace = 6.638733455483321 (5.08526e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 4.580918312072754 +elapsed time for k point: 13.64102578163147 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.626057620494977 (0.100232% change) + iteration 1: trace = 6.6260576237697 (0.100232% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.622613126482808 (0.0519976% change) + iteration 2: trace = 6.622613136247769 (0.0519975% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.620673744694375 (0.0292885% change) + iteration 3: trace = 6.620673751098646 (0.0292886% change) linmin: converged after 3 iterations. - iteration 4: trace = 6.619597684089716 (0.0162544% change) + iteration 4: trace = 6.619597693969425 (0.0162543% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.618315086898861 (0.0193776% change) + iteration 5: trace = 6.618315103587323 (0.0193775% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.617219271073397 (0.0165587% change) - linmin: converged after 4 iterations. - iteration 7: trace = 6.615295852367035 (0.0290711% change) + iteration 6: trace = 6.617219281266017 (0.0165588% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.61417947460509 (0.0168771% change) + iteration 7: trace = 6.615295857082153 (0.0290712% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.613750790278417 (0.0064815% change) + iteration 8: trace = 6.614179476934057 (0.0168772% change) + linmin: converged after 3 iterations. + iteration 9: trace = 6.613750797099966 (0.00648143% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.613492231709061 (0.00390949% change) - linmin: converged after 5 iterations. - iteration 11: trace = 6.613099991406017 (0.00593109% change) + iteration 10: trace = 6.613492239262217 (0.00390947% change) + linmin: converged after 8 iterations. + iteration 11: trace = 6.613099998232477 (0.0059311% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.612508174275854 (0.00894956% change) - linmin: converged after 3 iterations. - iteration 13: trace = 6.611911605435617 (0.00902223% change) - linmin: converged after 3 iterations. - iteration 14: trace = 6.611621978609148 (0.00438048% change) + iteration 12: trace = 6.612508450138579 (0.0089455% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.61152879661069 (0.00140938% change) + iteration 13: trace = 6.611911614851758 (0.00902626% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.611478379278624 (0.00076257% change) - linmin: converged after 3 iterations. - iteration 17: trace = 6.611426400397185 (0.000786195% change) + iteration 14: trace = 6.61162197986756 (0.0043806% change) + linmin: converged after 14 iterations. + iteration 15: trace = 6.611528800444471 (0.00140934% change) + linmin: converged after 11 iterations. + iteration 16: trace = 6.611478383867063 (0.000762558% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.611356798514873 (0.00105276% change) + iteration 17: trace = 6.611426401522207 (0.000786247% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.611309368975563 (0.000717398% change) + iteration 18: trace = 6.611356799706302 (0.00105276% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.611236277607452 (0.00110556% change) + iteration 19: trace = 6.611309374215812 (0.000717336% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.611184239700009 (0.000787116% change) + iteration 20: trace = 6.611236278071851 (0.00110563% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.611157390617158 (0.000406117% change) - linmin: converged after 6 iterations. - iteration 23: trace = 6.611149761229047 (0.000115402% change) + iteration 21: trace = 6.61118424056561 (0.00078711% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.611137418246711 (0.0001867% change) + iteration 22: trace = 6.611157392516317 (0.000406101% change) linmin: converged after 4 iterations. - iteration 25: trace = 6.611117109676448 (0.000307188% change) - linmin: converged after 8 iterations. - iteration 26: trace = 6.611106887867352 (0.000154616% change) - linmin: converged after 7 iterations. - iteration 27: trace = 6.611093350475041 (0.000204768% change) - linmin: converged after 5 iterations. - iteration 28: trace = 6.611088832485065 (6.83396e-05% change) + iteration 23: trace = 6.611149765657109 (0.000115364% change) + linmin: converged after 4 iterations. + iteration 24: trace = 6.611137418834302 (0.000186758% change) + linmin: converged after 4 iterations. + iteration 25: trace = 6.611117110368845 (0.000307186% change) + linmin: converged after 4 iterations. + iteration 26: trace = 6.611106889872412 (0.000154596% change) + linmin: converged after 4 iterations. + iteration 27: trace = 6.611093350540525 (0.000204797% change) linmin: converged after 5 iterations. - iteration 29: trace = 6.61108683176395 (3.02631e-05% change) - linmin: converged after 3 iterations. - iteration 30: trace = 6.611085128924971 (2.57573e-05% change) - linmin: converged after 3 iterations. - iteration 31: trace = 6.611082646646197 (3.75472e-05% change) + iteration 28: trace = 6.611088832478344 (6.83406e-05% change) + linmin: converged after 4 iterations. + iteration 29: trace = 6.611086832035665 (3.02589e-05% change) + linmin: converged after 4 iterations. + iteration 30: trace = 6.611085130062883 (2.57442e-05% change) + linmin: converged after 4 iterations. + iteration 31: trace = 6.61108264676884 (3.75626e-05% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.611078563818122 (6.17573e-05% change) + iteration 32: trace = 6.611078563945897 (6.17573e-05% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.611077155557211 (2.13015e-05% change) + iteration 33: trace = 6.611077156727883 (2.12858e-05% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.611075809316514 (2.03634e-05% change) - linmin: converged after 9 iterations. - iteration 35: trace = 6.611075193967333 (9.30785e-06% change) + iteration 34: trace = 6.611075809350823 (2.03806e-05% change) + linmin: converged after 5 iterations. + iteration 35: trace = 6.611075193950397 (9.30863e-06% change) linmin: converged after 2 iterations. - iteration 36: trace = 6.611074698880083 (7.48876e-06% change) - linmin: converged after 6 iterations. - iteration 37: trace = 6.611074407551921 (4.40667e-06% change) - large trace change predicted (9.33295e-06%) - linmin: converged after 9 iterations. - iteration 38: trace = 6.611073790582134 (9.33237e-06% change) - linmin: converged after 3 iterations. - iteration 39: trace = 6.611073203369893 (8.88225e-06% change) - linmin: converged after 4 iterations. - iteration 40: trace = 6.611073052540952 (2.28146e-06% change) - linmin: converged after 15 iterations. - iteration 41: trace = 6.611072941977674 (1.6724e-06% change) + iteration 36: trace = 6.611074698908572 (7.48807e-06% change) + linmin: converged after 2 iterations. + iteration 37: trace = 6.611074407571144 (4.40681e-06% change) + large trace change predicted (9.33325e-06%) + linmin: converged after 5 iterations. + iteration 38: trace = 6.611073790580959 (9.33268e-06% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.611072861004637 (1.22481e-06% change) - linmin: converged after 8 iterations. - iteration 43: trace = 6.61107280858274 (7.92941e-07% change) + iteration 39: trace = 6.611073203395692 (8.88184e-06% change) linmin: converged after 2 iterations. - iteration 44: trace = 6.611072776030954 (4.92383e-07% change) + iteration 40: trace = 6.611073052666175 (2.27996e-06% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.611072738168386 (5.72714e-07% change) - linmin: converged after 15 iterations. - iteration 46: trace = 6.611072698875848 (5.94344e-07% change) + iteration 41: trace = 6.611072941982572 (1.67422e-06% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.611072683717714 (2.29284e-07% change) - linmin: converged after 4 iterations. - iteration 48: trace = 6.611072672237301 (1.73654e-07% change) + iteration 42: trace = 6.611072860997705 (1.22499e-06% change) + linmin: converged after 19 iterations. + iteration 43: trace = 6.611072808571613 (7.93004e-07% change) + linmin: converged after 2 iterations. + iteration 44: trace = 6.611072776009633 (4.92537e-07% change) + linmin: converged after 5 iterations. + iteration 45: trace = 6.611072738166845 (5.72415e-07% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.611072662758709 (1.43374e-07% change) + iteration 46: trace = 6.61107269887773 (5.94293e-07% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.61107265697399 (8.75005e-08% change) - linmin: converged after 8 iterations. - iteration 51: trace = 6.611072652142187 (7.30865e-08% change) - linmin: converged after 5 iterations. - iteration 52: trace = 6.611072646470036 (8.57977e-08% change) - linmin: converged after 19 iterations. - iteration 53: trace = 6.611072641171591 (8.0145e-08% change) - linmin: converged after 4 iterations. - iteration 54: trace = 6.611072640189413 (1.48566e-08% change) - linmin: converged after 4 iterations. - iteration 55: trace = 6.611072639602241 (8.88163e-09% change) - linmin: converged after 21 iterations. - iteration 56: trace = 6.61107263921562 (5.84809e-09% change) - linmin: converged after 4 iterations. - iteration 57: trace = 6.611072638759226 (6.90348e-09% change) + iteration 47: trace = 6.611072683722457 (2.29241e-07% change) + linmin: converged after 20 iterations. + iteration 48: trace = 6.61107267223891 (1.73702e-07% change) linmin: converged after 4 iterations. - iteration 58: trace = 6.611072638472151 (4.34234e-09% change) + iteration 49: trace = 6.611072662758527 (1.43402e-07% change) + linmin: converged after 2 iterations. + iteration 50: trace = 6.611072656973558 (8.75042e-08% change) + linmin: converged after 14 iterations. + iteration 51: trace = 6.611072652140479 (7.31058e-08% change) linmin: converged after 4 iterations. - iteration 59: trace = 6.611072638036753 (6.58588e-09% change) - linmin: converged after 21 iterations. - iteration 60: trace = 6.611072637784839 (3.81049e-09% change) - linmin: converged after 16 iterations. - iteration 61: trace = 6.611072637653132 (1.99222e-09% change) + iteration 52: trace = 6.611072646471644 (8.57476e-08% change) + linmin: converged after 25 iterations. + iteration 53: trace = 6.611072641170976 (8.01786e-08% change) + linmin: converged after 3 iterations. + iteration 54: trace = 6.611072640188722 (1.48577e-08% change) linmin: converged after 4 iterations. - iteration 62: trace = 6.611072637585758 (1.01912e-09% change) + iteration 55: trace = 6.611072639602137 (8.87277e-09% change) + linmin: converged after 3 iterations. + iteration 56: trace = 6.611072639215618 (5.84653e-09% change) + linmin: converged after 23 iterations. + iteration 57: trace = 6.611072638759814 (6.89456e-09% change) linmin: converged after 2 iterations. - iteration 63: trace = 6.611072637534616 (7.73571e-10% change) - linmin: converged after 7 iterations. - iteration 64: trace = 6.611072637495112 (5.97549e-10% change) + iteration 58: trace = 6.611072638476969 (4.27835e-09% change) + linmin: converged after 20 iterations. + iteration 59: trace = 6.611072638036925 (6.65617e-09% change) + linmin: converged after 13 iterations. + iteration 60: trace = 6.611072637785957 (3.79618e-09% change) + linmin: converged after 16 iterations. + iteration 61: trace = 6.611072637654685 (1.98564e-09% change) + linmin: converged after 16 iterations. + iteration 62: trace = 6.611072637586027 (1.03853e-09% change) + linmin: converged after 6 iterations. + iteration 63: trace = 6.611072637534644 (7.77225e-10% change) + linmin: converged after 3 iterations. + iteration 64: trace = 6.61107263749526 (5.95722e-10% change) + linmin: converged after 18 iterations. + iteration 65: trace = 6.611072637473985 (3.21815e-10% change) + large trace change predicted (1.05833e-09%) linmin: converged after 5 iterations. - iteration 65: trace = 6.611072637473879 (3.2117e-10% change) - large trace change predicted (1.05703e-09%) - linmin: converged after 9 iterations. - iteration 66: trace = 6.611072637403993 (1.05711e-09% change) + iteration 66: trace = 6.611072637404018 (1.05833e-09% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.61107263737826 (3.89244e-10% change) - linmin: converged after 3 iterations. - iteration 68: trace = 6.611072637366694 (1.74947e-10% change) + iteration 67: trace = 6.611072637378244 (3.89848e-10% change) + linmin: converged after 6 iterations. + iteration 68: trace = 6.611072637366652 (1.7535e-10% change) linmin: converged after 3 iterations. - iteration 69: trace = 6.611072637361763 (7.45761e-11% change) + iteration 69: trace = 6.611072637361769 (7.3864e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 -elapsed time for k point: 2.046769142150879 +elapsed time for k point: 4.862880706787109 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.696548450697246 (0.194448% change) + iteration 1: trace = 6.69654845025137 (0.194448% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.689342465328255 (0.107665% change) + iteration 2: trace = 6.689342465375486 (0.107665% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.684968588152273 (0.0654071% change) + iteration 3: trace = 6.684968588326884 (0.0654071% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.682654417678721 (0.0346235% change) + iteration 4: trace = 6.682654417292113 (0.0346235% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.68057897415484 (0.031062% change) - linmin: converged after 4 iterations. - iteration 6: trace = 6.677750730984548 (0.0423443% change) + iteration 5: trace = 6.680578973283696 (0.031062% change) + linmin: converged after 3 iterations. + iteration 6: trace = 6.677750731033851 (0.0423442% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.674361515607246 (0.0507667% change) + iteration 7: trace = 6.674361515453429 (0.0507667% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.672549248951057 (0.0271563% change) + iteration 8: trace = 6.672549248124937 (0.0271564% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.67035707388253 (0.032859% change) + iteration 9: trace = 6.670357074217137 (0.032859% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.669034273270586 (0.019833% change) + iteration 10: trace = 6.669034273421945 (0.019833% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.667931878122467 (0.0165314% change) + iteration 11: trace = 6.667931877203758 (0.0165314% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.667446347483382 (0.00728184% change) + iteration 12: trace = 6.667446347339836 (0.00728183% change) large trace change predicted (0.0240835%) - linmin: converged after 3 iterations. - iteration 13: trace = 6.665843395804814 (0.0240444% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.664868522489406 (0.014626% change) + iteration 13: trace = 6.665843395948846 (0.0240443% change) + linmin: converged after 4 iterations. + iteration 14: trace = 6.664868522604189 (0.014626% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.663981786977709 (0.0133055% change) + iteration 15: trace = 6.663981786802305 (0.0133055% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.663285117103061 (0.0104548% change) + iteration 16: trace = 6.663285117138646 (0.0104548% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.662813208990162 (0.00708246% change) + iteration 17: trace = 6.662813208969369 (0.00708247% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.662657367728647 (0.002339% change) + iteration 18: trace = 6.662657367649856 (0.002339% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.662510138462022 (0.00220979% change) + iteration 19: trace = 6.662510138450232 (0.00220979% change) large trace change predicted (0.00524066%) - linmin: converged after 5 iterations. - iteration 20: trace = 6.662160849212027 (0.00524274% change) + linmin: converged after 15 iterations. + iteration 20: trace = 6.662160849237966 (0.00524274% change) linmin: converged after 4 iterations. - iteration 21: trace = 6.661974209878505 (0.00280152% change) + iteration 21: trace = 6.66197420989029 (0.00280152% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.661701520808619 (0.0040933% change) + iteration 22: trace = 6.661701520880363 (0.0040933% change) linmin: converged after 4 iterations. - iteration 23: trace = 6.6614997208688 (0.0030293% change) + iteration 23: trace = 6.661499720875717 (0.0030293% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.661401436797187 (0.00147542% change) - linmin: converged after 3 iterations. - iteration 25: trace = 6.661330968897884 (0.00105786% change) - linmin: converged after 5 iterations. - iteration 26: trace = 6.661273357518132 (0.000864867% change) + iteration 24: trace = 6.66140143678833 (0.00147542% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.661214838069622 (0.000878506% change) + iteration 25: trace = 6.661330968901323 (0.00105786% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.66115775937144 (0.000856885% change) - linmin: converged after 16 iterations. - iteration 29: trace = 6.661112661277841 (0.000677033% change) - linmin: converged after 12 iterations. - iteration 30: trace = 6.661070300455188 (0.000635944% change) - linmin: converged after 7 iterations. - iteration 31: trace = 6.661058308095186 (0.000180037% change) + iteration 26: trace = 6.661273357520589 (0.000864867% change) + linmin: converged after 3 iterations. + iteration 27: trace = 6.661214838045455 (0.000878507% change) linmin: converged after 4 iterations. - iteration 32: trace = 6.661042292616671 (0.000240435% change) + iteration 28: trace = 6.661157759371667 (0.000856885% change) + linmin: converged after 5 iterations. + iteration 29: trace = 6.661112661284326 (0.000677033% change) + linmin: converged after 20 iterations. + iteration 30: trace = 6.661070300433895 (0.000635945% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.661028283422302 (0.000210316% change) + iteration 31: trace = 6.66105830797355 (0.000180038% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.661012970038681 (0.000229895% change) + iteration 32: trace = 6.661042292611342 (0.000240433% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.661000272851032 (0.00019062% change) + iteration 33: trace = 6.661028283401026 (0.000210316% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.66098105771455 (0.000288473% change) + iteration 34: trace = 6.661012969925144 (0.000229897% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.66097484643405 (9.32488e-05% change) - linmin: converged after 4 iterations. - iteration 38: trace = 6.660970536549605 (6.47035e-05% change) + iteration 35: trace = 6.661000272803735 (0.000190619% change) + linmin: converged after 5 iterations. + iteration 36: trace = 6.660981057702862 (0.000288472% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.660965329903084 (7.81665e-05% change) + iteration 37: trace = 6.660974846356311 (9.32498e-05% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.660960399217141 (7.40236e-05% change) + iteration 38: trace = 6.660970536539435 (6.47025e-05% change) + linmin: converged after 5 iterations. + iteration 39: trace = 6.660965329886953 (7.81666e-05% change) linmin: converged after 4 iterations. - iteration 41: trace = 6.660955690712223 (7.06881e-05% change) + iteration 40: trace = 6.660960399146574 (7.40244e-05% change) + linmin: converged after 6 iterations. + iteration 41: trace = 6.66095569069584 (7.06873e-05% change) + linmin: converged after 4 iterations. + iteration 42: trace = 6.660951410712856 (6.42548e-05% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.660951410715819 (6.4255e-05% change) + iteration 43: trace = 6.660948058569098 (5.03253e-05% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.660948058611444 (5.03247e-05% change) - linmin: converged after 10 iterations. - iteration 44: trace = 6.660947085965647 (1.46022e-05% change) - large trace change predicted (2.98585e-05%) - linmin: converged after 3 iterations. - iteration 45: trace = 6.660945097035932 (2.98596e-05% change) + iteration 44: trace = 6.660947085941736 (1.46019e-05% change) + large trace change predicted (2.98581e-05%) + linmin: converged after 4 iterations. + iteration 45: trace = 6.660945097035194 (2.98592e-05% change) + linmin: converged after 4 iterations. + iteration 46: trace = 6.66094382178454 (1.91452e-05% change) + linmin: converged after 5 iterations. + iteration 47: trace = 6.660942440494746 (2.07372e-05% change) + linmin: converged after 4 iterations. + iteration 48: trace = 6.660941469353216 (1.45796e-05% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.660943821792785 (1.91451e-05% change) - linmin: converged after 8 iterations. - iteration 47: trace = 6.660942440537547 (2.07366e-05% change) + iteration 49: trace = 6.66094020410135 (1.89951e-05% change) linmin: converged after 5 iterations. - iteration 48: trace = 6.660941469358377 (1.45802e-05% change) - linmin: converged after 9 iterations. - iteration 49: trace = 6.660940204105689 (1.89951e-05% change) - linmin: converged after 8 iterations. - iteration 50: trace = 6.660939460761348 (1.11598e-05% change) + iteration 50: trace = 6.660939460723126 (1.11603e-05% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.660938948019672 (7.69774e-06% change) - linmin: converged after 4 iterations. - iteration 52: trace = 6.660938435137035 (7.69986e-06% change) + iteration 51: trace = 6.660938948018435 (7.69718e-06% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.660938003150241 (6.48537e-06% change) - linmin: converged after 4 iterations. - iteration 54: trace = 6.660937690918812 (4.6875e-06% change) + iteration 52: trace = 6.660938435141803 (7.69977e-06% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.660937258478576 (6.49218e-06% change) + iteration 53: trace = 6.660938003174664 (6.48508e-06% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.660937080983507 (2.66472e-06% change) + iteration 54: trace = 6.660937690969898 (4.6871e-06% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.660937039758156 (6.18912e-07% change) + iteration 55: trace = 6.660937258482483 (6.49289e-06% change) linmin: converged after 3 iterations. - iteration 58: trace = 6.660936992662055 (7.07049e-07% change) - linmin: converged after 8 iterations. - iteration 59: trace = 6.660936943515173 (7.37837e-07% change) - linmin: converged after 14 iterations. - iteration 60: trace = 6.660936890551621 (7.95137e-07% change) + iteration 56: trace = 6.660937081002793 (2.66449e-06% change) linmin: converged after 5 iterations. - iteration 61: trace = 6.660936833463546 (8.57058e-07% change) - linmin: converged after 4 iterations. - iteration 62: trace = 6.660936777956312 (8.33325e-07% change) + iteration 57: trace = 6.660937039777968 (6.18904e-07% change) linmin: converged after 3 iterations. - iteration 63: trace = 6.660936765950669 (1.8024e-07% change) - linmin: converged after 13 iterations. - iteration 64: trace = 6.660936755016479 (1.64154e-07% change) - linmin: converged after 7 iterations. - iteration 65: trace = 6.660936746504889 (1.27784e-07% change) - linmin: converged after 4 iterations. - iteration 66: trace = 6.660936740712755 (8.69567e-08% change) + iteration 58: trace = 6.660936992667125 (7.07271e-07% change) + linmin: converged after 5 iterations. + iteration 59: trace = 6.660936943518592 (7.37862e-07% change) linmin: converged after 3 iterations. - iteration 67: trace = 6.660936737170026 (5.31866e-08% change) - linmin: converged after 4 iterations. - iteration 68: trace = 6.660936730929397 (9.369e-08% change) - linmin: converged after 4 iterations. - iteration 69: trace = 6.660936726677886 (6.38275e-08% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 70: trace = 6.660936725044449 (2.45226e-08% change) + iteration 60: trace = 6.660936890577585 (7.94798e-07% change) + linmin: converged after 5 iterations. + iteration 61: trace = 6.660936833465589 (8.57417e-07% change) + linmin: converged after 24 iterations. + iteration 62: trace = 6.660936777960926 (8.33286e-07% change) + linmin: converged after 5 iterations. + iteration 63: trace = 6.660936765957731 (1.80203e-07% change) + linmin: converged after 2 iterations. + iteration 64: trace = 6.660936755017357 (1.64247e-07% change) linmin: converged after 3 iterations. - iteration 71: trace = 6.660936723760125 (1.92814e-08% change) + iteration 65: trace = 6.66093674650544 (1.27789e-07% change) + linmin: converged after 6 iterations. + iteration 66: trace = 6.660936740715574 (8.69227e-08% change) linmin: converged after 4 iterations. - iteration 72: trace = 6.660936722383197 (2.06717e-08% change) + iteration 67: trace = 6.660936737170697 (5.32189e-08% change) + linmin: converged after 15 iterations. + iteration 68: trace = 6.660936730929448 (9.36993e-08% change) + linmin: converged after 3 iterations. + iteration 69: trace = 6.660936726678534 (6.38186e-08% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 73: trace = 6.660936721386933 (1.49568e-08% change) + iteration 70: trace = 6.660936725045222 (2.45207e-08% change) + linmin: converged after 2 iterations. + iteration 71: trace = 6.660936723760564 (1.92865e-08% change) linmin: converged after 4 iterations. - iteration 74: trace = 6.660936720553681 (1.25095e-08% change) + iteration 72: trace = 6.660936722383546 (2.0673e-08% change) linmin: converged after 6 iterations. - iteration 75: trace = 6.660936719204672 (2.02525e-08% change) - linmin: converged after 4 iterations. - iteration 76: trace = 6.660936718306758 (1.34803e-08% change) + iteration 73: trace = 6.660936721386091 (1.49747e-08% change) linmin: converged after 5 iterations. - iteration 77: trace = 6.660936717517901 (1.1843e-08% change) - linmin: converged after 16 iterations. - iteration 78: trace = 6.660936716875986 (9.63701e-09% change) + iteration 74: trace = 6.660936720553865 (1.24941e-08% change) + linmin: converged after 13 iterations. + iteration 75: trace = 6.660936719204704 (2.02548e-08% change) linmin: converged after 4 iterations. - iteration 79: trace = 6.66093671638297 (7.40159e-09% change) + iteration 76: trace = 6.660936718304 (1.35222e-08% change) + linmin: converged after 20 iterations. + iteration 77: trace = 6.660936717517122 (1.18133e-08% change) + linmin: converged after 16 iterations. + iteration 78: trace = 6.660936716876025 (9.62473e-09% change) + linmin: converged after 12 iterations. + iteration 79: trace = 6.660936716382677 (7.40658e-09% change) + linmin: converged after 22 iterations. + iteration 80: trace = 6.660936716200043 (2.74187e-09% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.660936716200434 (2.74039e-09% change) - linmin: converged after 5 iterations. - iteration 81: trace = 6.660936715851852 (5.23324e-09% change) - linmin: converged after 25 iterations. - iteration 82: trace = 6.660936715504896 (5.20882e-09% change) + iteration 81: trace = 6.66093671585187 (5.22709e-09% change) + linmin: converged after 3 iterations. + iteration 82: trace = 6.660936715504881 (5.20931e-09% change) linmin: converged after 4 iterations. - iteration 83: trace = 6.660936715305283 (2.99677e-09% change) - linmin: converged after 25 iterations. - iteration 84: trace = 6.660936715088249 (3.2583e-09% change) + iteration 83: trace = 6.66093671530523 (2.99734e-09% change) + linmin: converged after 21 iterations. + iteration 84: trace = 6.66093671508824 (3.25765e-09% change) + linmin: converged after 9 iterations. + iteration 85: trace = 6.660936714937202 (2.26751e-09% change) + linmin: converged after 10 iterations. + iteration 86: trace = 6.660936714833777 (1.55271e-09% change) + linmin: converged after 6 iterations. + iteration 87: trace = 6.660936714749974 (1.25813e-09% change) + linmin: converged after 18 iterations. + iteration 88: trace = 6.660936714697367 (7.89781e-10% change) linmin: converged after 6 iterations. - iteration 85: trace = 6.660936714937209 (2.26755e-09% change) + iteration 89: trace = 6.660936714617602 (1.19751e-09% change) + linmin: converged after 16 iterations. + iteration 90: trace = 6.660936714577185 (6.0677e-10% change) linmin: converged after 7 iterations. - iteration 86: trace = 6.66093671483393 (1.55052e-09% change) + iteration 91: trace = 6.66093671454266 (5.18325e-10% change) linmin: converged after 5 iterations. - iteration 87: trace = 6.660936714752606 (1.22091e-09% change) - linmin: converged after 8 iterations. - iteration 88: trace = 6.660936714698563 (8.11342e-10% change) - linmin: converged after 6 iterations. - iteration 89: trace = 6.660936714617685 (1.21422e-09% change) - linmin: converged after 17 iterations. - iteration 90: trace = 6.660936714577195 (6.07863e-10% change) - linmin: converged after 9 iterations. - iteration 91: trace = 6.660936714542663 (5.18431e-10% change) - linmin: converged after 4 iterations. - iteration 92: trace = 6.66093671452318 (2.92498e-10% change) - linmin: converged after 3 iterations. - iteration 93: trace = 6.660936714512308 (1.6321e-10% change) + iteration 92: trace = 6.660936714523179 (2.92471e-10% change) linmin: converged after 7 iterations. - iteration 94: trace = 6.660936714494092 (2.73483e-10% change) - linmin: converged after 18 iterations. - iteration 95: trace = 6.660936714476113 (2.6991e-10% change) - linmin: converged after 4 iterations. - iteration 96: trace = 6.660936714460309 (2.37268e-10% change) + iteration 93: trace = 6.660936714512325 (1.62943e-10% change) + linmin: converged after 7 iterations. + iteration 94: trace = 6.660936714494101 (2.73603e-10% change) + linmin: converged after 2 iterations. + iteration 95: trace = 6.660936714476154 (2.6943e-10% change) + linmin: converged after 6 iterations. + iteration 96: trace = 6.66093671446064 (2.32907e-10% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.660936714455183 (7.69513e-11% change) + iteration 97: trace = 6.660936714455401 (7.86581e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 1.1243326663970947 +elapsed time for k point: 5.8919970989227295 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.828693017208109 (0.25821% change) + iteration 1: trace = 6.828693051154345 (0.258209% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.814914961701834 (0.201971% change) + iteration 2: trace = 6.814914958893745 (0.201971% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.8034925962326 (0.167749% change) + iteration 3: trace = 6.80349260183447 (0.167749% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.798487274288505 (0.073597% change) + iteration 4: trace = 6.79848734870875 (0.0735959% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.793361675562998 (0.0754217% change) + iteration 5: trace = 6.793361675684579 (0.0754227% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.785739195795245 (0.112268% change) + iteration 6: trace = 6.785739191682397 (0.112268% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.78264878663999 (0.0455531% change) + iteration 7: trace = 6.782648806865124 (0.0455527% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. - iteration 8: trace = 6.775936770194704 (0.0990076% change) - linmin: converged after 4 iterations. - iteration 9: trace = 6.767502069710002 (0.124558% change) - linmin: converged after 5 iterations. - iteration 10: trace = 6.76322651774559 (0.0631977% change) + iteration 8: trace = 6.775936763703433 (0.099008% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.757059628579385 (0.0912242% change) + iteration 9: trace = 6.767502062135385 (0.124558% change) + linmin: converged after 7 iterations. + iteration 10: trace = 6.763226521067462 (0.0631975% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.751376335993757 (0.0841443% change) + iteration 11: trace = 6.757059612273398 (0.0912245% change) + linmin: converged after 3 iterations. + iteration 12: trace = 6.751376366656176 (0.0841437% change) linmin: converged after 3 iterations. - iteration 13: trace = 6.749200931166567 (0.0322268% change) - large trace change predicted (0.098765%) + iteration 13: trace = 6.749200935773478 (0.0322272% change) + large trace change predicted (0.0987644%) linmin: converged after 4 iterations. - iteration 14: trace = 6.742591263983803 (0.0979806% change) + iteration 14: trace = 6.742591302242313 (0.0979801% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.740640382826808 (0.0289379% change) + iteration 15: trace = 6.740640411046187 (0.028938% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.737712684722542 (0.043443% change) + iteration 16: trace = 6.737712689049472 (0.0434433% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.734520751506272 (0.0473854% change) + iteration 17: trace = 6.734520894288492 (0.0473833% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.732582910248322 (0.0287789% change) + iteration 18: trace = 6.732582934604476 (0.0287806% change) linmin: converged after 4 iterations. - iteration 19: trace = 6.729242224459929 (0.049632% change) + iteration 19: trace = 6.729242247617569 (0.049632% change) linmin: converged after 4 iterations. - iteration 20: trace = 6.728109255756887 (0.0168379% change) + iteration 20: trace = 6.728109349512105 (0.0168369% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.726644075252516 (0.0217794% change) + iteration 21: trace = 6.726644075980233 (0.0217808% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.725872536807032 (0.0114705% change) - linmin: converged after 3 iterations. - iteration 23: trace = 6.725359728800651 (0.0076247% change) + iteration 22: trace = 6.725872574431966 (0.01147% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.724756248311063 (0.00897361% change) + iteration 23: trace = 6.725359736473234 (0.00762514% change) linmin: converged after 4 iterations. - iteration 25: trace = 6.7242313053107 (0.00780643% change) + iteration 24: trace = 6.724756253268692 (0.00897365% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.723530381332598 (0.0104244% change) + iteration 25: trace = 6.72423135588593 (0.00780575% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.72305353579579 (0.00709244% change) + iteration 26: trace = 6.72353038351107 (0.0104251% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.72265881863575 (0.00587127% change) + iteration 27: trace = 6.723053571704133 (0.00709194% change) linmin: converged after 4 iterations. - iteration 29: trace = 6.722318016870271 (0.00506958% change) + iteration 28: trace = 6.722658821939687 (0.00587176% change) + linmin: converged after 5 iterations. + iteration 29: trace = 6.722318019409016 (0.00506959% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.722110934360552 (0.00308057% change) + iteration 30: trace = 6.722110946093002 (0.00308043% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.721805719628224 (0.00454056% change) + iteration 31: trace = 6.721805721101981 (0.00454072% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.72165454038865 (0.00224911% change) + iteration 32: trace = 6.721654547984085 (0.00224902% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.721517297783834 (0.00204182% change) + iteration 33: trace = 6.721517298715021 (0.00204192% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.721358425118166 (0.00236367% change) + iteration 34: trace = 6.721358436783906 (0.00236351% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.721272058063197 (0.00128497% change) + iteration 35: trace = 6.721272059164479 (0.00128513% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.721179699166091 (0.00137414% change) - linmin: converged after 4 iterations. - iteration 37: trace = 6.721123295807936 (0.000839192% change) + iteration 36: trace = 6.721179700137169 (0.00137414% change) + linmin: converged after 7 iterations. + iteration 37: trace = 6.72112330194598 (0.000839115% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.721064007742236 (0.000882119% change) + iteration 38: trace = 6.721064008046548 (0.000882206% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.72097092087002 (0.00138501% change) + iteration 39: trace = 6.720970925766762 (0.00138494% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.720931115538289 (0.000592257% change) - large trace change predicted (0.00161289%) - linmin: converged after 5 iterations. - iteration 41: trace = 6.720822625073012 (0.00161423% change) + iteration 40: trace = 6.720931118364441 (0.000592288% change) + large trace change predicted (0.00161291%) + linmin: converged after 3 iterations. + iteration 41: trace = 6.720822626495152 (0.00161425% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.720798455955431 (0.000359616% change) - large trace change predicted (0.000726896%) + iteration 42: trace = 6.720798459314678 (0.000359587% change) + large trace change predicted (0.000726947%) linmin: converged after 4 iterations. - iteration 43: trace = 6.720749733766366 (0.000724949% change) - linmin: converged after 3 iterations. - iteration 44: trace = 6.720722597039881 (0.000403776% change) - linmin: converged after 5 iterations. - iteration 45: trace = 6.720705195143765 (0.000258929% change) + iteration 43: trace = 6.720749733677937 (0.000725% change) + linmin: converged after 4 iterations. + iteration 44: trace = 6.720722599348418 (0.00040374% change) + linmin: converged after 4 iterations. + iteration 45: trace = 6.720705195838294 (0.000258953% change) large trace change predicted (0.000642163%) - linmin: converged after 5 iterations. - iteration 46: trace = 6.720662126792548 (0.000640833% change) + linmin: converged after 6 iterations. + iteration 46: trace = 6.720662127476741 (0.000640833% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.720647154498598 (0.00022278% change) - linmin: converged after 4 iterations. - iteration 48: trace = 6.72062043302607 (0.000397603% change) - linmin: converged after 5 iterations. - iteration 49: trace = 6.720599309599986 (0.000314308% change) + iteration 47: trace = 6.720647157207791 (0.00022275% change) + linmin: converged after 8 iterations. + iteration 48: trace = 6.720620433065634 (0.000397643% change) + linmin: converged after 6 iterations. + iteration 49: trace = 6.720599311445288 (0.000314281% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.720588137365055 (0.000166239% change) + iteration 50: trace = 6.720588137884642 (0.000166259% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.720572436621251 (0.000233622% change) + iteration 51: trace = 6.72057243682333 (0.000233627% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.720560499397283 (0.000177622% change) + iteration 52: trace = 6.720560502321083 (0.000177582% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.720550778242804 (0.000144648% change) + iteration 53: trace = 6.720550778306086 (0.000144691% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.720542013016708 (0.000130424% change) + iteration 54: trace = 6.72054201518942 (0.000130393% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.720538071646672 (5.86466e-05% change) + iteration 55: trace = 6.720538071718374 (5.86779e-05% change) + linmin: converged after 3 iterations. + iteration 56: trace = 6.72053381517578 (6.33364e-05% change) + linmin: converged after 4 iterations. + iteration 57: trace = 6.720531116533037 (4.01552e-05% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.720533814739468 (6.33418e-05% change) + iteration 58: trace = 6.720527587074378 (5.25176e-05% change) + linmin: converged after 4 iterations. + iteration 59: trace = 6.720523742686854 (5.72037e-05% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.720531115770584 (4.016e-05% change) + iteration 60: trace = 6.720520452028452 (4.89643e-05% change) linmin: converged after 3 iterations. - iteration 58: trace = 6.720527587060401 (5.25064e-05% change) - linmin: converged after 11 iterations. - iteration 59: trace = 6.720523741211025 (5.72254e-05% change) + iteration 61: trace = 6.720515635821292 (7.16642e-05% change) + linmin: converged after 4 iterations. + iteration 62: trace = 6.72051369558301 (2.88704e-05% change) + linmin: converged after 4 iterations. + iteration 63: trace = 6.720511339613811 (3.50564e-05% change) linmin: converged after 2 iterations. - iteration 60: trace = 6.720520451968262 (4.89433e-05% change) - linmin: converged after 5 iterations. - iteration 61: trace = 6.720515635354287 (7.16703e-05% change) - linmin: converged after 6 iterations. - iteration 62: trace = 6.720513695468099 (2.88651e-05% change) + iteration 64: trace = 6.720510233489242 (1.64589e-05% change) linmin: converged after 3 iterations. - iteration 63: trace = 6.72051133960888 (3.50548e-05% change) + iteration 65: trace = 6.720509525527539 (1.05343e-05% change) linmin: converged after 2 iterations. - iteration 64: trace = 6.720510233359968 (1.64608e-05% change) + iteration 66: trace = 6.720508403284164 (1.66988e-05% change) + linmin: converged after 5 iterations. + iteration 67: trace = 6.720507795474456 (9.0441e-06% change) + large trace change predicted (2.55095e-05%) + linmin: converged after 7 iterations. + iteration 68: trace = 6.720506081153956 (2.55088e-05% change) + linmin: converged after 4 iterations. + iteration 69: trace = 6.720505166064807 (1.36164e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 65: trace = 6.720509525519543 (1.05325e-05% change) + iteration 70: trace = 6.720504632404202 (7.94078e-06% change) linmin: converged after 2 iterations. - iteration 66: trace = 6.720508403248748 (1.66992e-05% change) + iteration 71: trace = 6.720503757869241 (1.30129e-05% change) linmin: converged after 3 iterations. - iteration 67: trace = 6.720507795395156 (9.04476e-06% change) - large trace change predicted (2.55085e-05%) + iteration 72: trace = 6.720503155026131 (8.97021e-06% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.720506081141613 (2.55078e-05% change) + iteration 73: trace = 6.720502824908291 (4.9121e-06% change) + linmin: converged after 5 iterations. + iteration 74: trace = 6.72050226709905 (8.30011e-06% change) linmin: converged after 4 iterations. - iteration 69: trace = 6.720505165966127 (1.36177e-05% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 70: trace = 6.720504632302556 (7.94083e-06% change) + iteration 75: trace = 6.720501617768297 (9.66194e-06% change) + linmin: converged after 12 iterations. + iteration 76: trace = 6.720501326228034 (4.33807e-06% change) linmin: converged after 2 iterations. - iteration 71: trace = 6.720503757844022 (1.30118e-05% change) - linmin: converged after 15 iterations. - iteration 72: trace = 6.720503154978902 (8.97054e-06% change) + iteration 77: trace = 6.720500923028406 (5.99955e-06% change) + linmin: converged after 3 iterations. + iteration 78: trace = 6.720500448443767 (7.06175e-06% change) linmin: converged after 4 iterations. - iteration 73: trace = 6.720502824854046 (4.9122e-06% change) - linmin: converged after 8 iterations. - iteration 74: trace = 6.720502267064615 (8.29982e-06% change) + iteration 79: trace = 6.720500087656586 (5.36846e-06% change) linmin: converged after 4 iterations. - iteration 75: trace = 6.720501617680343 (9.66273e-06% change) - linmin: converged after 3 iterations. - iteration 76: trace = 6.72050132574036 (4.34402e-06% change) - linmin: converged after 2 iterations. - iteration 77: trace = 6.720500923027681 (5.9923e-06% change) - linmin: converged after 3 iterations. - iteration 78: trace = 6.720500448330174 (7.06342e-06% change) + iteration 80: trace = 6.720499710699892 (5.60906e-06% change) + linmin: converged after 6 iterations. + iteration 81: trace = 6.72049940863037 (4.49475e-06% change) linmin: converged after 4 iterations. - iteration 79: trace = 6.720500087213447 (5.37336e-06% change) + iteration 82: trace = 6.720499351281875 (8.53337e-07% change) + linmin: converged after 5 iterations. + iteration 83: trace = 6.720499245521641 (1.5737e-06% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.720499710684663 (5.60269e-06% change) - linmin: converged after 22 iterations. - iteration 81: trace = 6.720499408614479 (4.49476e-06% change) + iteration 84: trace = 6.72049913262799 (1.67984e-06% change) linmin: converged after 4 iterations. - iteration 82: trace = 6.720499351256553 (8.53477e-07% change) - linmin: converged after 2 iterations. - iteration 83: trace = 6.720499245527904 (1.57323e-06% change) + iteration 85: trace = 6.720498945729719 (2.78102e-06% change) linmin: converged after 4 iterations. - iteration 84: trace = 6.720499132630193 (1.6799e-06% change) - linmin: converged after 5 iterations. - iteration 85: trace = 6.720498945756275 (2.78066e-06% change) + iteration 86: trace = 6.720498852363972 (1.38927e-06% change) linmin: converged after 4 iterations. - iteration 86: trace = 6.720498852637848 (1.38559e-06% change) - linmin: converged after 7 iterations. - iteration 87: trace = 6.720498761806799 (1.35155e-06% change) - linmin: converged after 2 iterations. - iteration 88: trace = 6.720498673535045 (1.31347e-06% change) - linmin: converged after 6 iterations. - iteration 89: trace = 6.72049865351342 (2.97919e-07% change) + iteration 87: trace = 6.720498761849329 (1.34684e-06% change) linmin: converged after 4 iterations. - iteration 90: trace = 6.720498625572545 (4.15756e-07% change) - linmin: converged after 5 iterations. - iteration 91: trace = 6.720498602030521 (3.50302e-07% change) + iteration 88: trace = 6.7204986739702 (1.30763e-06% change) + linmin: converged after 10 iterations. + iteration 89: trace = 6.720498653720747 (3.01309e-07% change) linmin: converged after 4 iterations. - iteration 92: trace = 6.720498577123617 (3.70611e-07% change) - linmin: converged after 5 iterations. - iteration 93: trace = 6.720498560431867 (2.48371e-07% change) + iteration 90: trace = 6.720498625582296 (4.18696e-07% change) linmin: converged after 4 iterations. - iteration 94: trace = 6.720498532209185 (4.19949e-07% change) - linmin: converged after 13 iterations. - iteration 95: trace = 6.720498515844808 (2.43499e-07% change) + iteration 91: trace = 6.720498602021372 (3.50583e-07% change) + linmin: converged after 8 iterations. + iteration 92: trace = 6.720498576202601 (3.84179e-07% change) + linmin: converged after 22 iterations. + iteration 93: trace = 6.720498560284163 (2.36864e-07% change) + linmin: converged after 3 iterations. + iteration 94: trace = 6.720498532121002 (4.19064e-07% change) + linmin: converged after 4 iterations. + iteration 95: trace = 6.720498515238853 (2.51204e-07% change) + linmin: converged after 4 iterations. + iteration 96: trace = 6.720498508370332 (1.02203e-07% change) + linmin: converged after 4 iterations. + iteration 97: trace = 6.720498499076403 (1.38292e-07% change) + linmin: converged after 10 iterations. + iteration 98: trace = 6.720498492447143 (9.86424e-08% change) linmin: converged after 7 iterations. - iteration 96: trace = 6.720498508767199 (1.05314e-07% change) + iteration 99: trace = 6.72049849018129 (3.37155e-08% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.720498499078233 (1.4417e-07% change) - linmin: converged after 5 iterations. - iteration 98: trace = 6.720498492456153 (9.85355e-08% change) - linmin: converged after 6 iterations. - iteration 99: trace = 6.720498490231268 (3.3106e-08% change) - linmin: converged after 5 iterations. - iteration 100: trace = 6.720498486341691 (5.78763e-08% change) - linmin: converged after 19 iterations. - iteration 101: trace = 6.720498482648972 (5.49471e-08% change) + iteration 100: trace = 6.720498486342221 (5.71248e-08% change) linmin: converged after 4 iterations. - iteration 102: trace = 6.720498480432039 (3.29876e-08% change) + iteration 101: trace = 6.720498482650953 (5.49255e-08% change) linmin: converged after 4 iterations. - iteration 103: trace = 6.720498478111522 (3.45289e-08% change) + iteration 102: trace = 6.720498480429661 (3.30525e-08% change) + linmin: converged after 12 iterations. + iteration 103: trace = 6.720498478111147 (3.44991e-08% change) linmin: converged after 4 iterations. - iteration 104: trace = 6.720498474203783 (5.81466e-08% change) + iteration 104: trace = 6.720498474206468 (5.8101e-08% change) linmin: converged after 4 iterations. - iteration 105: trace = 6.720498473240487 (1.43337e-08% change) - linmin: converged after 3 iterations. - iteration 106: trace = 6.720498471875248 (2.03145e-08% change) + iteration 105: trace = 6.720498473262042 (1.40529e-08% change) linmin: converged after 4 iterations. - iteration 107: trace = 6.720498470954793 (1.36962e-08% change) + iteration 106: trace = 6.720498471876009 (2.0624e-08% change) linmin: converged after 6 iterations. - iteration 108: trace = 6.72049847030411 (9.68207e-09% change) + iteration 107: trace = 6.720498470967589 (1.35172e-08% change) linmin: converged after 4 iterations. - iteration 109: trace = 6.720498469396117 (1.35108e-08% change) - linmin: converged after 6 iterations. - iteration 110: trace = 6.720498468528084 (1.29162e-08% change) - linmin: converged after 22 iterations. - iteration 111: trace = 6.720498468211312 (4.71351e-09% change) - linmin: converged after 3 iterations. - iteration 112: trace = 6.720498467648213 (8.37884e-09% change) - linmin: converged after 21 iterations. - iteration 113: trace = 6.720498466969858 (1.00938e-08% change) - linmin: converged after 7 iterations. - iteration 114: trace = 6.720498466674119 (4.40054e-09% change) - linmin: converged after 14 iterations. - iteration 115: trace = 6.720498466438764 (3.50204e-09% change) + iteration 108: trace = 6.720498470312162 (9.75265e-09% change) linmin: converged after 9 iterations. - iteration 116: trace = 6.720498466248166 (2.83607e-09% change) + iteration 109: trace = 6.720498469396089 (1.3631e-08% change) + linmin: converged after 7 iterations. + iteration 110: trace = 6.720498468512294 (1.31507e-08% change) linmin: converged after 21 iterations. - iteration 117: trace = 6.720498466097222 (2.24603e-09% change) - linmin: converged after 8 iterations. - iteration 118: trace = 6.720498466030781 (9.88633e-10% change) - large trace change predicted (2.34768e-09%) - linmin: converged after 4 iterations. - iteration 119: trace = 6.720498465873002 (2.34772e-09% change) + iteration 111: trace = 6.720498467999879 (7.62466e-09% change) linmin: converged after 5 iterations. - iteration 120: trace = 6.720498465792095 (1.20389e-09% change) + iteration 112: trace = 6.720498467640348 (5.34977e-09% change) linmin: converged after 21 iterations. - iteration 121: trace = 6.720498465746592 (6.77067e-10% change) - linmin: converged after 15 iterations. - iteration 122: trace = 6.720498465698609 (7.13992e-10% change) - linmin: converged after 15 iterations. - iteration 123: trace = 6.720498465621247 (1.15112e-09% change) - linmin: converged after 3 iterations. - iteration 124: trace = 6.720498465595291 (3.86223e-10% change) - linmin: converged after 15 iterations. - iteration 125: trace = 6.720498465572993 (3.318e-10% change) + iteration 113: trace = 6.720498466970739 (9.96368e-09% change) + linmin: converged after 5 iterations. + iteration 114: trace = 6.720498466677312 (4.36614e-09% change) + linmin: converged after 18 iterations. + iteration 115: trace = 6.720498466441213 (3.51312e-09% change) linmin: converged after 6 iterations. - iteration 126: trace = 6.720498465558284 (2.18856e-10% change) - linmin: converged after 9 iterations. - iteration 127: trace = 6.72049846555446 (5.69079e-11% change) + iteration 116: trace = 6.720498466250924 (2.83147e-09% change) + linmin: converged after 22 iterations. + iteration 117: trace = 6.720498466096265 (2.30131e-09% change) + linmin: converged after 6 iterations. + iteration 118: trace = 6.720498466030922 (9.72285e-10% change) + large trace change predicted (2.34671e-09%) + linmin: converged after 4 iterations. + iteration 119: trace = 6.720498465873208 (2.34677e-09% change) + linmin: converged after 4 iterations. + iteration 120: trace = 6.720498465788122 (1.26606e-09% change) + linmin: converged after 4 iterations. + iteration 121: trace = 6.72049846573104 (8.49363e-10% change) + linmin: converged after 4 iterations. + iteration 122: trace = 6.720498465696925 (5.07638e-10% change) + large trace change predicted (1.13909e-09%) + linmin: converged after 4 iterations. + iteration 123: trace = 6.720498465620373 (1.13907e-09% change) + linmin: converged after 4 iterations. + iteration 124: trace = 6.720498465587363 (4.91198e-10% change) + linmin: converged after 4 iterations. + iteration 125: trace = 6.720498465572864 (2.15737e-10% change) + linmin: converged after 3 iterations. + iteration 126: trace = 6.720498465558189 (2.18354e-10% change) + linmin: converged after 3 iterations. + iteration 127: trace = 6.720498465551671 (9.69919e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 -elapsed time for k point: 1.7867562770843506 +elapsed time for k point: 6.7886412143707275 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.805955562928744 (0.370676% change) - linmin: converged after 8 iterations. - iteration 2: trace = 6.786471668016924 (0.286688% change) + iteration 1: trace = 6.805955556140274 (0.370677% change) + linmin: converged after 5 iterations. + iteration 2: trace = 6.786471737212765 (0.286686% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.766412334616126 (0.296016% change) - linmin: converged after 8 iterations. - iteration 4: trace = 6.762821517377909 (0.0530823% change) - large trace change predicted (0.161507%) + iteration 3: trace = 6.766412303737587 (0.296017% change) + linmin: converged after 5 iterations. + iteration 4: trace = 6.762821519024953 (0.0530819% change) + large trace change predicted (0.161506%) linmin: converged after 4 iterations. - iteration 5: trace = 6.751550630673623 (0.166799% change) + iteration 5: trace = 6.751550698624738 (0.166798% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.745349024355771 (0.0918968% change) + iteration 6: trace = 6.745349113007221 (0.0918964% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.74135156175338 (0.0592801% change) + iteration 7: trace = 6.741351595821003 (0.0592809% change) linmin: converged after 3 iterations. - iteration 8: trace = 6.73781499530485 (0.0524746% change) + iteration 8: trace = 6.737815037306753 (0.0524744% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.736500225957172 (0.0195152% change) - large trace change predicted (0.0500712%) + iteration 9: trace = 6.736500269504852 (0.0195152% change) + large trace change predicted (0.0500715%) linmin: converged after 3 iterations. - iteration 10: trace = 6.733113221246308 (0.050291% change) - linmin: converged after 4 iterations. - iteration 11: trace = 6.731523269016685 (0.0236167% change) + iteration 10: trace = 6.73311324788274 (0.0502913% change) + linmin: converged after 3 iterations. + iteration 11: trace = 6.731523288857191 (0.0236168% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.72917215108513 (0.0349331% change) + iteration 12: trace = 6.729172175479501 (0.034933% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.726626313331539 (0.03784% change) + iteration 13: trace = 6.726626362365467 (0.0378396% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.72526694814056 (0.0202108% change) + iteration 14: trace = 6.725266958049311 (0.0202113% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.722631929555883 (0.0391886% change) + iteration 15: trace = 6.722631997987897 (0.0391877% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.721297250368137 (0.0198555% change) + iteration 16: trace = 6.721297487258514 (0.019853% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.718798670863051 (0.037181% change) - linmin: converged after 3 iterations. - iteration 18: trace = 6.717806138049131 (0.0147736% change) + iteration 17: trace = 6.718798677954432 (0.0371844% change) + linmin: converged after 4 iterations. + iteration 18: trace = 6.717806389042686 (0.0147699% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.716974622663739 (0.0123785% change) + iteration 19: trace = 6.716974632417087 (0.0123821% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.716373022360233 (0.00895682% change) + iteration 20: trace = 6.716373073156239 (0.00895621% change) linmin: converged after 4 iterations. - iteration 21: trace = 6.716154278487252 (0.00325693% change) - large trace change predicted (0.0101657%) + iteration 21: trace = 6.716154314212861 (0.00325715% change) + large trace change predicted (0.010166%) + linmin: converged after 3 iterations. + iteration 22: trace = 6.715471644375278 (0.0101651% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.715471624728676 (0.0101649% change) + iteration 23: trace = 6.71518352147316 (0.00429053% change) + large trace change predicted (0.0113975%) linmin: converged after 4 iterations. - iteration 23: trace = 6.715183454624158 (0.00429123% change) - large trace change predicted (0.0113966%) + iteration 24: trace = 6.714417842276712 (0.0114029% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.714417832318219 (0.011402% change) - linmin: converged after 3 iterations. - iteration 25: trace = 6.714023750193567 (0.00586936% change) - linmin: converged after 4 iterations. - iteration 26: trace = 6.713806563698491 (0.00323487% change) + iteration 25: trace = 6.71402394833166 (0.00586656% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.713579671509911 (0.00337954% change) + iteration 26: trace = 6.713806570525517 (0.00323772% change) + linmin: converged after 5 iterations. + iteration 27: trace = 6.713579695830396 (0.00337928% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.713511732418807 (0.00101197% change) - large trace change predicted (0.00208784%) + iteration 28: trace = 6.713511757404212 (0.00101196% change) + large trace change predicted (0.00208817%) linmin: converged after 3 iterations. - iteration 29: trace = 6.713371329185268 (0.00209137% change) + iteration 29: trace = 6.713371332358085 (0.0020917% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.713315053336248 (0.000838269% change) - large trace change predicted (0.00185114%) - linmin: converged after 6 iterations. - iteration 31: trace = 6.713190941678135 (0.00184876% change) + iteration 30: trace = 6.713315097566395 (0.000837657% change) + large trace change predicted (0.00185176%) + linmin: converged after 5 iterations. + iteration 31: trace = 6.713190944166159 (0.00184938% change) linmin: converged after 4 iterations. - iteration 32: trace = 6.713118662949396 (0.00107667% change) + iteration 32: trace = 6.7131186964011 (0.00107621% change) linmin: converged after 4 iterations. - iteration 33: trace = 6.713048702456197 (0.00104215% change) + iteration 33: trace = 6.713048706918499 (0.00104258% change) linmin: converged after 4 iterations. - iteration 34: trace = 6.712960186571246 (0.00131857% change) + iteration 34: trace = 6.712960197297235 (0.00131848% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.712939421130598 (0.000309334% change) - large trace change predicted (0.00071383%) - linmin: converged after 4 iterations. - iteration 36: trace = 6.712891502854644 (0.000713822% change) + iteration 35: trace = 6.712939425580438 (0.000309428% change) + large trace change predicted (0.000713864%) linmin: converged after 3 iterations. - iteration 37: trace = 6.712883798813513 (0.000114765% change) - large trace change predicted (0.000489864%) - linmin: converged after 5 iterations. - iteration 38: trace = 6.712850923537964 (0.000489735% change) - linmin: converged after 17 iterations. - iteration 39: trace = 6.712831946054455 (0.000282704% change) + iteration 36: trace = 6.71289150503998 (0.000713856% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.712819122177292 (0.000191035% change) + iteration 37: trace = 6.712883805566732 (0.000114697% change) + large trace change predicted (0.000489954%) linmin: converged after 4 iterations. - iteration 41: trace = 6.712799136904248 (0.000297718% change) + iteration 38: trace = 6.712850924275557 (0.000489825% change) + linmin: converged after 19 iterations. + iteration 39: trace = 6.712831958893488 (0.000282524% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.712794544479975 (6.8413e-05% change) - large trace change predicted (0.000162518%) + iteration 40: trace = 6.712819123704335 (0.000191204% change) + linmin: converged after 6 iterations. + iteration 41: trace = 6.712799138643009 (0.000297715% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.712783638534319 (0.000162465% change) - linmin: converged after 12 iterations. - iteration 44: trace = 6.712781295388652 (3.49057e-05% change) - large trace change predicted (8.74452e-05%) + iteration 42: trace = 6.712794545329164 (6.84262e-05% change) + large trace change predicted (0.000162524%) linmin: converged after 3 iterations. - iteration 45: trace = 6.712775425428213 (8.74446e-05% change) + iteration 43: trace = 6.712783638971096 (0.000162471% change) + linmin: converged after 5 iterations. + iteration 44: trace = 6.712781297147715 (3.4886e-05% change) + large trace change predicted (8.74701e-05%) + linmin: converged after 3 iterations. + iteration 45: trace = 6.712775425512478 (8.74695e-05% change) linmin: converged after 4 iterations. - iteration 46: trace = 6.712773786862236 (2.44097e-05% change) - large trace change predicted (5.1525e-05%) + iteration 46: trace = 6.712773788701442 (2.43835e-05% change) + large trace change predicted (5.15564e-05%) linmin: converged after 3 iterations. - iteration 47: trace = 6.712770326702039 (5.15459e-05% change) + iteration 47: trace = 6.712770326443451 (5.15772e-05% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.712767502732814 (4.20686e-05% change) - linmin: converged after 7 iterations. - iteration 49: trace = 6.71276670572763 (1.1873e-05% change) - large trace change predicted (4.49241e-05%) - linmin: converged after 4 iterations. - iteration 50: trace = 6.712763689634836 (4.49307e-05% change) - linmin: converged after 10 iterations. - iteration 51: trace = 6.712763102138238 (8.75193e-06% change) - large trace change predicted (2.71667e-05%) - linmin: converged after 2 iterations. - iteration 52: trace = 6.712761278495808 (2.71668e-05% change) + iteration 48: trace = 6.712767503408735 (4.20547e-05% change) + linmin: converged after 6 iterations. + iteration 49: trace = 6.712766705976109 (1.18793e-05% change) + large trace change predicted (4.49264e-05%) linmin: converged after 4 iterations. - iteration 53: trace = 6.712760419626184 (1.27946e-05% change) + iteration 50: trace = 6.71276368972368 (4.49331e-05% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.712759718324621 (1.04473e-05% change) + iteration 51: trace = 6.712763102513145 (8.74767e-06% change) + large trace change predicted (2.71726e-05%) linmin: converged after 3 iterations. - iteration 55: trace = 6.712759022193954 (1.03703e-05% change) - linmin: converged after 4 iterations. - iteration 56: trace = 6.712758847526151 (2.60203e-06% change) - large trace change predicted (8.44701e-06%) + iteration 52: trace = 6.712761278472607 (2.71727e-05% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.712758280604067 (8.44544e-06% change) - linmin: converged after 4 iterations. - iteration 58: trace = 6.712758165091206 (1.7208e-06% change) - large trace change predicted (5.84606e-06%) - linmin: converged after 4 iterations. - iteration 59: trace = 6.712757772724152 (5.84509e-06% change) - linmin: converged after 6 iterations. - iteration 60: trace = 6.712757572397931 (2.98426e-06% change) - linmin: converged after 4 iterations. - iteration 61: trace = 6.712757429155298 (2.13389e-06% change) + iteration 53: trace = 6.712760420261901 (1.27848e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.712757251619532 (2.64475e-06% change) - linmin: converged after 4 iterations. - iteration 63: trace = 6.712757218526112 (4.92993e-07% change) - large trace change predicted (1.75906e-06%) - linmin: converged after 6 iterations. - iteration 64: trace = 6.712757100439914 (1.75913e-06% change) + iteration 54: trace = 6.712759718319123 (1.04568e-05% change) + linmin: converged after 3 iterations. + iteration 55: trace = 6.71275902232367 (1.03682e-05% change) + linmin: converged after 11 iterations. + iteration 56: trace = 6.712758847542699 (2.60371e-06% change) + large trace change predicted (8.44623e-06%) + linmin: converged after 5 iterations. + iteration 57: trace = 6.712758280673249 (8.44466e-06% change) linmin: converged after 3 iterations. - iteration 65: trace = 6.712757077214144 (3.45994e-07% change) - large trace change predicted (7.7499e-07%) + iteration 58: trace = 6.712758165186811 (1.7204e-06% change) + large trace change predicted (5.84776e-06%) + linmin: converged after 4 iterations. + iteration 59: trace = 6.712757772705874 (5.84679e-06% change) linmin: converged after 7 iterations. - iteration 66: trace = 6.712757025189743 (7.75008e-07% change) + iteration 60: trace = 6.71275757260235 (2.98094e-06% change) + linmin: converged after 3 iterations. + iteration 61: trace = 6.712757429146562 (2.13706e-06% change) + linmin: converged after 3 iterations. + iteration 62: trace = 6.712757251616035 (2.64467e-06% change) + linmin: converged after 3 iterations. + iteration 63: trace = 6.712757218523445 (4.92981e-07% change) + large trace change predicted (1.75914e-06%) + linmin: converged after 3 iterations. + iteration 64: trace = 6.712757100431663 (1.75921e-06% change) + linmin: converged after 3 iterations. + iteration 65: trace = 6.712757077204495 (3.46015e-07% change) + large trace change predicted (7.749e-07%) + linmin: converged after 11 iterations. + iteration 66: trace = 6.712757025186075 (7.74919e-07% change) linmin: converged after 5 iterations. - iteration 67: trace = 6.712756982529514 (6.3551e-07% change) + iteration 67: trace = 6.712756982495279 (6.35965e-07% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.712756959209679 (3.47396e-07% change) + iteration 68: trace = 6.712756959208504 (3.46903e-07% change) linmin: converged after 2 iterations. - iteration 69: trace = 6.712756913046917 (6.87687e-07% change) + iteration 69: trace = 6.712756913014613 (6.88151e-07% change) resetting CG direction... - linmin: converged after 19 iterations. - iteration 70: trace = 6.712756900877062 (1.81294e-07% change) + linmin: converged after 3 iterations. + iteration 70: trace = 6.71275690086043 (1.81061e-07% change) linmin: converged after 4 iterations. - iteration 71: trace = 6.712756887638629 (1.97213e-07% change) - linmin: converged after 5 iterations. - iteration 72: trace = 6.71275688341093 (6.29801e-08% change) - large trace change predicted (1.50508e-07%) - linmin: converged after 12 iterations. - iteration 73: trace = 6.71275687330786 (1.50506e-07% change) - linmin: converged after 19 iterations. - iteration 74: trace = 6.712756865412508 (1.17617e-07% change) - linmin: converged after 6 iterations. - iteration 75: trace = 6.712756859683109 (8.53509e-08% change) - large trace change predicted (2.04361e-07%) - linmin: converged after 24 iterations. - iteration 76: trace = 6.712756845964888 (2.0436e-07% change) - linmin: converged after 7 iterations. - iteration 77: trace = 6.712756843622527 (3.48942e-08% change) - large trace change predicted (1.27344e-07%) + iteration 71: trace = 6.712756887622769 (1.97202e-07% change) linmin: converged after 4 iterations. - iteration 78: trace = 6.712756835074155 (1.27345e-07% change) - linmin: converged after 6 iterations. - iteration 79: trace = 6.712756830487558 (6.83266e-08% change) - linmin: converged after 9 iterations. - iteration 80: trace = 6.712756828639383 (2.75323e-08% change) - linmin: converged after 20 iterations. - iteration 81: trace = 6.712756824947974 (5.4991e-08% change) - linmin: converged after 5 iterations. - iteration 82: trace = 6.712756821606838 (4.97729e-08% change) - linmin: converged after 6 iterations. - iteration 83: trace = 6.712756819957895 (2.45643e-08% change) - linmin: converged after 12 iterations. - iteration 84: trace = 6.712756818925357 (1.53817e-08% change) - large trace change predicted (3.12508e-08%) - linmin: converged after 7 iterations. - iteration 85: trace = 6.712756816827598 (3.12503e-08% change) + iteration 72: trace = 6.712756883398935 (6.29225e-08% change) + large trace change predicted (1.50495e-07%) linmin: converged after 4 iterations. - iteration 86: trace = 6.712756816425909 (5.98397e-09% change) - large trace change predicted (2.09825e-08%) - linmin: converged after 7 iterations. - iteration 87: trace = 6.712756815017419 (2.09823e-08% change) + iteration 73: trace = 6.712756873296715 (1.50493e-07% change) + linmin: converged after 3 iterations. + iteration 74: trace = 6.712756865398307 (1.17663e-07% change) + linmin: converged after 11 iterations. + iteration 75: trace = 6.712756859678924 (8.52017e-08% change) + large trace change predicted (2.04395e-07%) linmin: converged after 4 iterations. - iteration 88: trace = 6.712756814601587 (6.19466e-09% change) - linmin: converged after 12 iterations. - iteration 89: trace = 6.712756814039085 (8.3796e-09% change) + iteration 76: trace = 6.712756845958428 (2.04394e-07% change) + linmin: converged after 8 iterations. + iteration 77: trace = 6.712756843616824 (3.48829e-08% change) + large trace change predicted (1.27333e-07%) + linmin: converged after 3 iterations. + iteration 78: trace = 6.712756835069192 (1.27334e-07% change) + linmin: converged after 6 iterations. + iteration 79: trace = 6.712756830481178 (6.83477e-08% change) linmin: converged after 4 iterations. - iteration 90: trace = 6.712756813426791 (9.12135e-09% change) + iteration 80: trace = 6.712756828633961 (2.7518e-08% change) + linmin: converged after 3 iterations. + iteration 81: trace = 6.712756824945631 (5.49451e-08% change) + linmin: converged after 8 iterations. + iteration 82: trace = 6.712756821600133 (4.98379e-08% change) + linmin: converged after 5 iterations. + iteration 83: trace = 6.712756819597407 (2.98346e-08% change) + linmin: converged after 5 iterations. + iteration 84: trace = 6.712756818706199 (1.32763e-08% change) + large trace change predicted (2.89885e-08%) linmin: converged after 4 iterations. - iteration 91: trace = 6.712756812996636 (6.40802e-09% change) - linmin: converged after 22 iterations. - iteration 92: trace = 6.712756812824484 (2.56455e-09% change) - large trace change predicted (6.83861e-09%) + iteration 85: trace = 6.712756816760288 (2.89883e-08% change) linmin: converged after 4 iterations. - iteration 93: trace = 6.712756812365434 (6.83847e-09% change) + iteration 86: trace = 6.712756815150729 (2.39776e-08% change) linmin: converged after 4 iterations. - iteration 94: trace = 6.712756811977275 (5.78241e-09% change) + iteration 87: trace = 6.712756814905236 (3.6571e-09% change) + large trace change predicted (1.10318e-08%) + linmin: converged after 2 iterations. + iteration 88: trace = 6.712756814164701 (1.10318e-08% change) + linmin: converged after 6 iterations. + iteration 89: trace = 6.712756813774292 (5.81592e-09% change) linmin: converged after 4 iterations. - iteration 95: trace = 6.712756811894042 (1.23992e-09% change) - large trace change predicted (3.7171e-09%) + iteration 90: trace = 6.712756813420962 (5.26356e-09% change) linmin: converged after 4 iterations. - iteration 96: trace = 6.712756811644525 (3.71707e-09% change) - linmin: converged after 5 iterations. - iteration 97: trace = 6.712756811581106 (9.44748e-10% change) - linmin: converged after 3 iterations. - iteration 98: trace = 6.712756811502445 (1.17181e-09% change) - linmin: converged after 6 iterations. - iteration 99: trace = 6.712756811397159 (1.56845e-09% change) + iteration 91: trace = 6.712756812889936 (7.91071e-09% change) + linmin: converged after 18 iterations. + iteration 92: trace = 6.712756812738028 (2.26297e-09% change) + large trace change predicted (5.55353e-09%) linmin: converged after 4 iterations. - iteration 100: trace = 6.712756811365788 (4.67339e-10% change) - large trace change predicted (1.85038e-09%) + iteration 93: trace = 6.712756812365232 (5.55355e-09% change) linmin: converged after 5 iterations. - iteration 101: trace = 6.712756811241579 (1.85034e-09% change) - linmin: converged after 4 iterations. - iteration 102: trace = 6.71275681118478 (8.46122e-10% change) + iteration 94: trace = 6.712756811971886 (5.85968e-09% change) linmin: converged after 4 iterations. - iteration 103: trace = 6.712756811156159 (4.26375e-10% change) + iteration 95: trace = 6.71275681189128 (1.20078e-09% change) + large trace change predicted (3.72477e-09%) + linmin: converged after 5 iterations. + iteration 96: trace = 6.712756811641245 (3.72477e-09% change) linmin: converged after 4 iterations. - iteration 104: trace = 6.712756811110427 (6.81261e-10% change) + iteration 97: trace = 6.712756811541787 (1.48163e-09% change) linmin: converged after 12 iterations. - iteration 105: trace = 6.712756811081495 (4.31006e-10% change) + iteration 98: trace = 6.712756811501063 (6.06664e-10% change) + large trace change predicted (1.81005e-09%) + linmin: converged after 9 iterations. + iteration 99: trace = 6.712756811379562 (1.81e-09% change) + linmin: converged after 17 iterations. + iteration 100: trace = 6.712756811258247 (1.80724e-09% change) + linmin: converged after 6 iterations. + iteration 101: trace = 6.712756811215185 (6.41502e-10% change) + linmin: converged after 16 iterations. + iteration 102: trace = 6.71275681116723 (7.14379e-10% change) + linmin: converged after 3 iterations. + iteration 103: trace = 6.712756811117323 (7.43461e-10% change) linmin: converged after 3 iterations. - iteration 106: trace = 6.712756811075088 (9.54499e-11% change) + iteration 104: trace = 6.71275681110847 (1.31889e-10% change) + large trace change predicted (4.47684e-10%) + linmin: converged after 7 iterations. + iteration 105: trace = 6.712756811078423 (4.47612e-10% change) + linmin: converged after 6 iterations. + iteration 106: trace = 6.712756811072339 (9.06337e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 -elapsed time for k point: 1.9332091808319092 +elapsed time for k point: 5.425622940063477 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.8044478351434 (0.0750926% change) - large trace change predicted (0.247846%) + iteration 1: trace = 6.80444734924149 (0.0750996% change) + large trace change predicted (0.247839%) linmin: converged after 3 iterations. - iteration 2: trace = 6.787509654498768 (0.249238% change) - linmin: converged after 12 iterations. - iteration 3: trace = 6.784165962770588 (0.0492746% change) - large trace change predicted (0.154109%) + iteration 2: trace = 6.787509679861592 (0.249231% change) + linmin: converged after 5 iterations. + iteration 3: trace = 6.784166205009097 (0.0492714% change) + large trace change predicted (0.154113%) linmin: converged after 4 iterations. - iteration 4: trace = 6.77384718771364 (0.152217% change) + iteration 4: trace = 6.773847204144591 (0.15222% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.772519747236007 (0.0195985% change) - large trace change predicted (0.0906905%) + iteration 5: trace = 6.772519904103218 (0.0195964% change) + large trace change predicted (0.0906923%) linmin: converged after 4 iterations. - iteration 6: trace = 6.766221005409494 (0.0930477% change) + iteration 6: trace = 6.76622101075382 (0.0930499% change) linmin: converged after 3 iterations. - iteration 7: trace = 6.765489254010924 (0.0108154% change) - large trace change predicted (0.0789849%) + iteration 7: trace = 6.765489299171062 (0.0108148% change) + large trace change predicted (0.0789854%) linmin: converged after 4 iterations. - iteration 8: trace = 6.75996017364335 (0.0817582% change) + iteration 8: trace = 6.75996017814931 (0.0817588% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.759699812827886 (0.00385159% change) - large trace change predicted (0.0309307%) + iteration 9: trace = 6.759699816788689 (0.0038516% change) + large trace change predicted (0.0309306%) linmin: converged after 3 iterations. - iteration 10: trace = 6.757603788004104 (0.0310125% change) + iteration 10: trace = 6.757603803320771 (0.0310123% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.757368968240837 (0.00347496% change) - large trace change predicted (0.0247089%) - linmin: converged after 5 iterations. - iteration 12: trace = 6.755700209858244 (0.0246984% change) + iteration 11: trace = 6.757368976585108 (0.00347506% change) + large trace change predicted (0.0247087%) linmin: converged after 4 iterations. - iteration 13: trace = 6.75550475371244 (0.00289325% change) - large trace change predicted (0.0128516%) + iteration 12: trace = 6.755700228916115 (0.0246983% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.754652067148228 (0.0126229% change) + iteration 13: trace = 6.755504759812125 (0.00289344% change) + large trace change predicted (0.0128513%) linmin: converged after 4 iterations. - iteration 15: trace = 6.754115821019064 (0.00793923% change) + iteration 14: trace = 6.754652096422456 (0.0126226% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.753542652422613 (0.00848657% change) - large trace change predicted (0.0199713%) + iteration 15: trace = 6.754115825109953 (0.0079396% change) + linmin: converged after 4 iterations. + iteration 16: trace = 6.753542646068752 (0.00848673% change) + large trace change predicted (0.0199712%) linmin: converged after 3 iterations. - iteration 17: trace = 6.752183278269626 (0.0201303% change) + iteration 17: trace = 6.752183278343487 (0.0201302% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.75208493575188 (0.00145647% change) - large trace change predicted (0.015881%) + iteration 18: trace = 6.752084930996202 (0.00145654% change) + large trace change predicted (0.0158811%) linmin: converged after 4 iterations. - iteration 19: trace = 6.751015905606896 (0.0158338% change) + iteration 19: trace = 6.751015895306619 (0.0158339% change) linmin: converged after 4 iterations. - iteration 20: trace = 6.750877637360235 (0.00204813% change) - large trace change predicted (0.0154239%) + iteration 20: trace = 6.750877629110741 (0.0020481% change) + large trace change predicted (0.0154238%) linmin: converged after 3 iterations. - iteration 21: trace = 6.749833196948091 (0.0154724% change) - linmin: converged after 4 iterations. - iteration 22: trace = 6.749728269033688 (0.00155454% change) - large trace change predicted (0.0115026%) - linmin: converged after 8 iterations. - iteration 23: trace = 6.748952010720384 (0.0115012% change) + iteration 21: trace = 6.749833196250931 (0.0154723% change) linmin: converged after 4 iterations. - iteration 24: trace = 6.748764532707238 (0.00277792% change) - linmin: converged after 3 iterations. - iteration 25: trace = 6.748476017376526 (0.00427518% change) + iteration 22: trace = 6.74972827126466 (0.00155449% change) + large trace change predicted (0.0115028%) linmin: converged after 4 iterations. - iteration 26: trace = 6.74826276729166 (0.00316002% change) - linmin: converged after 3 iterations. - iteration 27: trace = 6.748165139926822 (0.00144671% change) - large trace change predicted (0.00385794%) + iteration 23: trace = 6.748951997189061 (0.0115015% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.747905812116392 (0.00384301% change) + iteration 24: trace = 6.748764535701455 (0.00277768% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.747846599163342 (0.000877505% change) - large trace change predicted (0.00317739%) + iteration 25: trace = 6.748475952935589 (0.00427617% change) linmin: converged after 4 iterations. - iteration 30: trace = 6.747632827871498 (0.00316804% change) + iteration 26: trace = 6.748262766578589 (0.00315908% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.747606384649958 (0.00039189% change) - large trace change predicted (0.00306599%) - linmin: converged after 6 iterations. - iteration 32: trace = 6.747399942257656 (0.00305954% change) - linmin: converged after 5 iterations. - iteration 33: trace = 6.747387711015182 (0.000181274% change) - large trace change predicted (0.00242319%) + iteration 27: trace = 6.748165115519629 (0.00144707% change) + large trace change predicted (0.00385758%) linmin: converged after 4 iterations. - iteration 34: trace = 6.747225019319337 (0.00241121% change) + iteration 28: trace = 6.747905812809182 (0.00384264% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.747193960783946 (0.000460317% change) - large trace change predicted (0.00107865%) + iteration 29: trace = 6.747846590929771 (0.000877637% change) + large trace change predicted (0.00317726%) linmin: converged after 4 iterations. - iteration 36: trace = 6.747121432363463 (0.00107495% change) - linmin: converged after 3 iterations. - iteration 37: trace = 6.747099769037731 (0.000321076% change) - large trace change predicted (0.000751319%) - linmin: converged after 5 iterations. - iteration 38: trace = 6.747049143717764 (0.00075033% change) + iteration 30: trace = 6.747632828218109 (0.00316792% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.747008134513375 (0.000607811% change) - linmin: converged after 8 iterations. - iteration 40: trace = 6.746998868110698 (0.000137341% change) - large trace change predicted (0.000631485%) + iteration 31: trace = 6.747606380527159 (0.000391956% change) + large trace change predicted (0.00306595%) linmin: converged after 3 iterations. - iteration 41: trace = 6.746956261049553 (0.000631498% change) - linmin: converged after 17 iterations. - iteration 42: trace = 6.746953503606534 (4.08694e-05% change) - large trace change predicted (0.000481241%) + iteration 32: trace = 6.747399940914338 (0.0030595% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.746921047449827 (0.00048105% change) + iteration 33: trace = 6.747387710034533 (0.000181268% change) + large trace change predicted (0.00242345%) linmin: converged after 4 iterations. - iteration 44: trace = 6.746917365672457 (5.45698e-05% change) - large trace change predicted (0.000269893%) + iteration 34: trace = 6.747225000358066 (0.00241148% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.746899160219138 (0.000269834% change) + iteration 35: trace = 6.747193961895454 (0.000460019% change) + large trace change predicted (0.00107876%) linmin: converged after 4 iterations. - iteration 46: trace = 6.746895007681262 (6.15474e-05% change) - large trace change predicted (0.000193055%) + iteration 36: trace = 6.74712142606743 (0.00107506% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.746881974548431 (0.000193172% change) + iteration 37: trace = 6.747099769663224 (0.000320973% change) + large trace change predicted (0.000751368%) linmin: converged after 4 iterations. - iteration 48: trace = 6.746874480879051 (0.000111069% change) + iteration 38: trace = 6.747049140982288 (0.00075038% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.746868148057193 (9.38631e-05% change) - linmin: converged after 5 iterations. - iteration 50: trace = 6.746857504130872 (0.000157761% change) + iteration 39: trace = 6.747008135494828 (0.000607756% change) linmin: converged after 5 iterations. - iteration 51: trace = 6.746855517504448 (2.94452e-05% change) - large trace change predicted (0.000214725%) - linmin: converged after 13 iterations. - iteration 52: trace = 6.746841037938518 (0.000214612% change) + iteration 40: trace = 6.746998865269536 (0.000137398% change) + large trace change predicted (0.000631446%) linmin: converged after 3 iterations. - iteration 53: trace = 6.746840193319111 (1.25187e-05% change) - large trace change predicted (9.31731e-05%) + iteration 41: trace = 6.746956260900427 (0.000631459% change) + linmin: converged after 5 iterations. + iteration 42: trace = 6.746953502611817 (4.0882e-05% change) + large trace change predicted (0.000481262%) + linmin: converged after 11 iterations. + iteration 43: trace = 6.746921045032736 (0.000481071% change) linmin: converged after 4 iterations. - iteration 54: trace = 6.746833909874822 (9.31317e-05% change) + iteration 44: trace = 6.746917365692235 (5.45336e-05% change) + large trace change predicted (0.000269929%) + linmin: converged after 4 iterations. + iteration 45: trace = 6.746899157853357 (0.000269869% change) + linmin: converged after 6 iterations. + iteration 46: trace = 6.746895007824238 (6.15102e-05% change) + large trace change predicted (0.000193122%) linmin: converged after 3 iterations. - iteration 55: trace = 6.746833185120688 (1.07421e-05% change) - large trace change predicted (5.96401e-05%) + iteration 47: trace = 6.746881970177647 (0.000193239% change) + linmin: converged after 5 iterations. + iteration 48: trace = 6.746874481051124 (0.000111001% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.746829162775065 (5.96183e-05% change) + iteration 49: trace = 6.74686814248656 (9.39482e-05% change) + linmin: converged after 7 iterations. + iteration 50: trace = 6.746857504298402 (0.000157676% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.74682872584188 (6.47613e-06% change) - large trace change predicted (2.46616e-05%) + iteration 51: trace = 6.746855514151282 (2.94974e-05% change) + large trace change predicted (0.000214674%) linmin: converged after 3 iterations. - iteration 58: trace = 6.746827062783421 (2.46495e-05% change) + iteration 52: trace = 6.746841038003201 (0.000214562% change) linmin: converged after 3 iterations. - iteration 59: trace = 6.746825889422444 (1.73913e-05% change) - linmin: converged after 4 iterations. - iteration 60: trace = 6.7468254528186 (6.47125e-06% change) - large trace change predicted (2.9587e-05%) - linmin: converged after 4 iterations. - iteration 61: trace = 6.746823456469007 (2.95895e-05% change) + iteration 53: trace = 6.746840193670483 (1.25145e-05% change) + large trace change predicted (9.31738e-05%) + linmin: converged after 5 iterations. + iteration 54: trace = 6.746833910175999 (9.31324e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.746823127186178 (4.88056e-06% change) - large trace change predicted (2.68491e-05%) - linmin: converged after 4 iterations. - iteration 63: trace = 6.746821315813991 (2.68478e-05% change) + iteration 55: trace = 6.746833185907565 (1.07349e-05% change) + large trace change predicted (5.96601e-05%) linmin: converged after 3 iterations. - iteration 64: trace = 6.74682118419874 (1.95077e-06% change) - large trace change predicted (1.52545e-05%) + iteration 56: trace = 6.746829162206959 (5.96384e-05% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.746820154925574 (1.52557e-05% change) + iteration 57: trace = 6.746828725866173 (6.46735e-06% change) + large trace change predicted (2.46907e-05%) + linmin: converged after 4 iterations. + iteration 58: trace = 6.746827060843097 (2.46786e-05% change) linmin: converged after 3 iterations. - iteration 66: trace = 6.746820081598261 (1.08684e-06% change) - large trace change predicted (7.08505e-06%) + iteration 59: trace = 6.746825889475502 (1.73618e-05% change) + linmin: converged after 6 iterations. + iteration 60: trace = 6.74682545200113 (6.48415e-06% change) + large trace change predicted (2.95707e-05%) linmin: converged after 3 iterations. - iteration 67: trace = 6.746819603550819 (7.08552e-06% change) + iteration 61: trace = 6.746823456747949 (2.95732e-05% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.746819452654242 (2.23656e-06% change) + iteration 62: trace = 6.746823127121569 (4.88565e-06% change) + large trace change predicted (2.68461e-05%) linmin: converged after 4 iterations. - iteration 69: trace = 6.746819257362958 (2.89457e-06% change) - resetting CG direction... + iteration 63: trace = 6.74682131595374 (2.68448e-05% change) linmin: converged after 5 iterations. - iteration 70: trace = 6.746819149258496 (1.6023e-06% change) - linmin: converged after 2 iterations. - iteration 71: trace = 6.746819008848828 (2.08112e-06% change) + iteration 64: trace = 6.746821184315568 (1.95111e-06% change) + large trace change predicted (1.52571e-05%) linmin: converged after 4 iterations. - iteration 72: trace = 6.746818910390979 (1.45932e-06% change) - linmin: converged after 3 iterations. - iteration 73: trace = 6.746818745366121 (2.44597e-06% change) - linmin: converged after 3 iterations. - iteration 74: trace = 6.7468186168483 (1.90487e-06% change) + iteration 65: trace = 6.746820154868746 (1.52583e-05% change) + linmin: converged after 8 iterations. + iteration 66: trace = 6.74682008163167 (1.08551e-06% change) + large trace change predicted (7.09045e-06%) + linmin: converged after 4 iterations. + iteration 67: trace = 6.746819603220008 (7.09092e-06% change) linmin: converged after 3 iterations. - iteration 75: trace = 6.746818399163002 (3.22649e-06% change) + iteration 68: trace = 6.746819452762287 (2.23005e-06% change) linmin: converged after 4 iterations. - iteration 76: trace = 6.746818285200208 (1.68913e-06% change) - linmin: converged after 2 iterations. - iteration 77: trace = 6.746818110005857 (2.5967e-06% change) - linmin: converged after 15 iterations. - iteration 78: trace = 6.746818071168098 (5.75646e-07% change) - large trace change predicted (1.54232e-06%) + iteration 69: trace = 6.746819257111356 (2.8999e-06% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 70: trace = 6.746819148968335 (1.60287e-06% change) linmin: converged after 4 iterations. - iteration 79: trace = 6.746817967112386 (1.54229e-06% change) - linmin: converged after 15 iterations. - iteration 80: trace = 6.746817916805639 (7.45637e-07% change) + iteration 71: trace = 6.746819008645379 (2.07984e-06% change) + linmin: converged after 3 iterations. + iteration 72: trace = 6.746818910115123 (1.4604e-06% change) + linmin: converged after 3 iterations. + iteration 73: trace = 6.746818744942249 (2.44816e-06% change) linmin: converged after 5 iterations. - iteration 81: trace = 6.746817907872918 (1.32399e-07% change) - large trace change predicted (1.24818e-06%) + iteration 74: trace = 6.746818616848882 (1.89857e-06% change) + linmin: converged after 4 iterations. + iteration 75: trace = 6.746818399168993 (3.22641e-06% change) + linmin: converged after 3 iterations. + iteration 76: trace = 6.746818285618526 (1.68302e-06% change) linmin: converged after 3 iterations. - iteration 82: trace = 6.746817823656416 (1.24824e-06% change) + iteration 77: trace = 6.746818109702566 (2.60739e-06% change) + linmin: converged after 5 iterations. + iteration 78: trace = 6.746818071150313 (5.71414e-07% change) + large trace change predicted (1.54215e-06%) linmin: converged after 3 iterations. - iteration 83: trace = 6.746817816741741 (1.02488e-07% change) - large trace change predicted (1.0307e-06%) + iteration 79: trace = 6.746817967106427 (1.54212e-06% change) linmin: converged after 6 iterations. - iteration 84: trace = 6.746817747203361 (1.03068e-06% change) + iteration 80: trace = 6.746817914962205 (7.72871e-07% change) linmin: converged after 3 iterations. - iteration 85: trace = 6.746817736432 (1.59651e-07% change) - large trace change predicted (4.77887e-07%) - linmin: converged after 12 iterations. - iteration 86: trace = 6.746817704190105 (4.77883e-07% change) + iteration 81: trace = 6.746817907520573 (1.10298e-07% change) + large trace change predicted (1.26309e-06%) linmin: converged after 3 iterations. - iteration 87: trace = 6.746817697549723 (9.84224e-08% change) - large trace change predicted (2.33383e-07%) - linmin: converged after 13 iterations. - iteration 88: trace = 6.74681768180402 (2.3338e-07% change) + iteration 82: trace = 6.746817822299007 (1.26314e-06% change) linmin: converged after 4 iterations. - iteration 89: trace = 6.746817679536382 (3.36105e-08% change) - large trace change predicted (1.96595e-07%) - linmin: converged after 3 iterations. - iteration 90: trace = 6.746817666272639 (1.96593e-07% change) + iteration 83: trace = 6.746817816412691 (8.72458e-08% change) + large trace change predicted (1.121e-06%) + linmin: converged after 17 iterations. + iteration 84: trace = 6.746817740783988 (1.12095e-06% change) linmin: converged after 5 iterations. - iteration 91: trace = 6.746817665247363 (1.51964e-08% change) - large trace change predicted (1.41411e-07%) + iteration 85: trace = 6.746817736291042 (6.65936e-08% change) + large trace change predicted (5.27588e-07%) linmin: converged after 4 iterations. - iteration 92: trace = 6.746817655706721 (1.4141e-07% change) - linmin: converged after 26 iterations. - iteration 93: trace = 6.746817655067918 (9.46821e-09% change) - large trace change predicted (1.33504e-07%) - linmin: converged after 9 iterations. - iteration 94: trace = 6.746817646060598 (1.33505e-07% change) + iteration 86: trace = 6.746817700696071 (5.27582e-07% change) + linmin: converged after 2 iterations. + iteration 87: trace = 6.746817697537579 (4.68145e-08% change) + large trace change predicted (2.42189e-07%) linmin: converged after 3 iterations. - iteration 95: trace = 6.746817642485677 (5.29868e-08% change) - linmin: converged after 20 iterations. - iteration 96: trace = 6.746817637600816 (7.24025e-08% change) - linmin: converged after 4 iterations. - iteration 97: trace = 6.746817635239473 (3.49994e-08% change) - large trace change predicted (7.8164e-08%) - linmin: converged after 5 iterations. - iteration 98: trace = 6.746817629965874 (7.81642e-08% change) + iteration 88: trace = 6.746817681197692 (2.42187e-07% change) linmin: converged after 10 iterations. - iteration 99: trace = 6.746817626196352 (5.58711e-08% change) - linmin: converged after 33 iterations. - iteration 100: trace = 6.746817626000397 (2.9044e-09% change) - large trace change predicted (2.59506e-08%) - linmin: converged after 34 iterations. - iteration 101: trace = 6.746817624249551 (2.59507e-08% change) - linmin: converged after 11 iterations. - iteration 102: trace = 6.746817624101108 (2.20019e-09% change) - large trace change predicted (1.59764e-08%) + iteration 89: trace = 6.746817679551438 (2.44004e-08% change) + large trace change predicted (2.00116e-07%) linmin: converged after 4 iterations. - iteration 103: trace = 6.746817623023198 (1.59766e-08% change) - linmin: converged after 6 iterations. - iteration 104: trace = 6.746817622890795 (1.96246e-09% change) - large trace change predicted (1.62697e-08%) - linmin: converged after 6 iterations. - iteration 105: trace = 6.746817621793102 (1.62698e-08% change) - linmin: converged after 26 iterations. - iteration 106: trace = 6.74681762168526 (1.59842e-09% change) - large trace change predicted (1.71878e-08%) + iteration 90: trace = 6.746817666050124 (2.00114e-07% change) + linmin: converged after 7 iterations. + iteration 91: trace = 6.746817665195209 (1.26714e-08% change) + large trace change predicted (1.41807e-07%) linmin: converged after 4 iterations. - iteration 107: trace = 6.746817620525645 (1.71876e-08% change) + iteration 92: trace = 6.746817655627826 (1.41806e-07% change) + linmin: converged after 17 iterations. + iteration 93: trace = 6.746817651729666 (5.77778e-08% change) + linmin: converged after 3 iterations. + iteration 94: trace = 6.746817646131488 (8.29751e-08% change) + linmin: converged after 22 iterations. + iteration 95: trace = 6.746817644277099 (2.74854e-08% change) + large trace change predicted (9.75244e-08%) linmin: converged after 6 iterations. - iteration 108: trace = 6.746817620438056 (1.29823e-09% change) - large trace change predicted (1.15917e-08%) + iteration 96: trace = 6.746817637697275 (9.75249e-08% change) + linmin: converged after 3 iterations. + iteration 97: trace = 6.746817631613324 (9.01751e-08% change) linmin: converged after 4 iterations. - iteration 109: trace = 6.746817619655988 (1.15917e-08% change) - linmin: converged after 15 iterations. - iteration 110: trace = 6.746817619613124 (6.35314e-10% change) - large trace change predicted (5.76958e-09%) + iteration 98: trace = 6.746817629969141 (2.43698e-08% change) + large trace change predicted (5.62167e-08%) + linmin: converged after 7 iterations. + iteration 99: trace = 6.746817626176255 (5.62174e-08% change) linmin: converged after 4 iterations. - iteration 111: trace = 6.746817619223854 (5.7697e-09% change) - linmin: converged after 15 iterations. - iteration 112: trace = 6.746817619185846 (5.63344e-10% change) - large trace change predicted (2.34418e-09%) - linmin: converged after 19 iterations. - iteration 113: trace = 6.746817619027684 (2.34424e-09% change) - linmin: converged after 6 iterations. - iteration 114: trace = 6.746817618906695 (1.79328e-09% change) + iteration 100: trace = 6.746817625998658 (2.6323e-09% change) + large trace change predicted (2.67258e-08%) + linmin: converged after 5 iterations. + iteration 101: trace = 6.746817624195511 (2.67259e-08% change) + linmin: converged after 18 iterations. + iteration 102: trace = 6.746817624092343 (1.52914e-09% change) + large trace change predicted (1.60312e-08%) + linmin: converged after 7 iterations. + iteration 103: trace = 6.746817623010754 (1.60311e-08% change) linmin: converged after 4 iterations. - iteration 115: trace = 6.746817618789834 (1.73209e-09% change) - linmin: converged after 10 iterations. - iteration 116: trace = 6.746817618601854 (2.78619e-09% change) - linmin: converged after 22 iterations. - iteration 117: trace = 6.746817618590867 (1.62844e-10% change) - large trace change predicted (1.0965e-09%) - linmin: converged after 10 iterations. - iteration 118: trace = 6.746817618516902 (1.09631e-09% change) - linmin: converged after 16 iterations. - iteration 119: trace = 6.746817618507549 (1.38621e-10% change) - large trace change predicted (1.28664e-09%) - linmin: converged after 10 iterations. - iteration 120: trace = 6.746817618420743 (1.28662e-09% change) - linmin: converged after 11 iterations. - iteration 121: trace = 6.746817618412694 (1.19309e-10% change) - large trace change predicted (1.81309e-09%) + iteration 104: trace = 6.746817622436037 (8.51834e-09% change) linmin: converged after 4 iterations. - iteration 122: trace = 6.746817618290359 (1.81321e-09% change) + iteration 105: trace = 6.746817621785468 (9.64261e-09% change) + linmin: converged after 5 iterations. + iteration 106: trace = 6.74681762145442 (4.90673e-09% change) + large trace change predicted (1.3825e-08%) + linmin: converged after 11 iterations. + iteration 107: trace = 6.746817620521669 (1.3825e-08% change) + linmin: converged after 3 iterations. + iteration 108: trace = 6.74681762035762 (2.43151e-09% change) + large trace change predicted (1.04639e-08%) + linmin: converged after 3 iterations. + iteration 109: trace = 6.746817619651639 (1.04639e-08% change) + linmin: converged after 21 iterations. + iteration 110: trace = 6.746817619527318 (1.84265e-09% change) + large trace change predicted (4.56389e-09%) + linmin: converged after 5 iterations. + iteration 111: trace = 6.746817619219398 (4.56393e-09% change) + linmin: converged after 21 iterations. + iteration 112: trace = 6.746817619050921 (2.49714e-09% change) + linmin: converged after 13 iterations. + iteration 113: trace = 6.746817619023888 (4.00672e-10% change) + large trace change predicted (3.13756e-09%) + linmin: converged after 8 iterations. + iteration 114: trace = 6.746817618812205 (3.13753e-09% change) + linmin: converged after 30 iterations. + iteration 115: trace = 6.746817618787656 (3.63864e-10% change) + large trace change predicted (2.92371e-09%) linmin: converged after 4 iterations. - iteration 123: trace = 6.74681761827393 (2.43515e-10% change) - large trace change predicted (1.07706e-09%) - linmin: converged after 17 iterations. - iteration 124: trace = 6.746817618201255 (1.07718e-09% change) + iteration 116: trace = 6.746817618590385 (2.92391e-09% change) + linmin: converged after 13 iterations. + iteration 117: trace = 6.746817618580838 (1.41504e-10% change) + large trace change predicted (1.13475e-09%) + linmin: converged after 6 iterations. + iteration 118: trace = 6.746817618504276 (1.13478e-09% change) + linmin: converged after 14 iterations. + iteration 119: trace = 6.746817618454823 (7.32981e-10% change) linmin: converged after 4 iterations. - iteration 125: trace = 6.746817618193226 (1.18993e-10% change) - large trace change predicted (3.69866e-10%) + iteration 120: trace = 6.746817618415577 (5.81696e-10% change) + large trace change predicted (1.74193e-09%) linmin: converged after 4 iterations. - iteration 126: trace = 6.746817618168281 (3.69735e-10% change) + iteration 121: trace = 6.746817618298057 (1.74186e-09% change) + linmin: converged after 6 iterations. + iteration 122: trace = 6.746817618288061 (1.48165e-10% change) + large trace change predicted (1.20878e-09%) linmin: converged after 3 iterations. - iteration 127: trace = 6.74681761814764 (3.05941e-10% change) - linmin: converged after 2 iterations. - iteration 128: trace = 6.746817618140222 (1.09949e-10% change) - linmin: converged after 7 iterations. - iteration 129: trace = 6.746817618125428 (2.19266e-10% change) - linmin: converged after 2 iterations. - iteration 130: trace = 6.746817618121911 (5.2131e-11% change) -Finished solving for bands 1 to 8 after 130 iterations. + iteration 123: trace = 6.746817618206498 (1.20891e-09% change) + linmin: converged after 18 iterations. + iteration 124: trace = 6.746817618200175 (9.37174e-11% change) +Finished solving for bands 1 to 8 after 124 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 -elapsed time for k point: 1.8223114013671875 +elapsed time for k point: 5.664405584335327 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 6.925814787989312 (0.213096% change) + iteration 1: trace = 6.925815589740352 (0.213086% change) linmin: converged after 5 iterations. - iteration 2: trace = 6.912656654509076 (0.190167% change) + iteration 2: trace = 6.912657451418982 (0.190167% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.904258493879119 (0.121563% change) + iteration 3: trace = 6.904259207642106 (0.121565% change) linmin: converged after 5 iterations. - iteration 4: trace = 6.896682648152434 (0.109787% change) + iteration 4: trace = 6.896683306528804 (0.109788% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.893477746036274 (0.046481% change) + iteration 5: trace = 6.893478340658833 (0.0464819% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.890274792224329 (0.0464743% change) + iteration 6: trace = 6.890275249404994 (0.0464763% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.887461942209045 (0.0408318% change) + iteration 7: trace = 6.88746232226138 (0.0408329% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.882497362695297 (0.0721074% change) + iteration 8: trace = 6.882497665665549 (0.0721085% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.879290953215395 (0.0465987% change) + iteration 9: trace = 6.879291206270548 (0.0465995% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.875157000383541 (0.0601108% change) + iteration 10: trace = 6.875157179961427 (0.0601118% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.872798266999787 (0.034314% change) + iteration 11: trace = 6.872798467860802 (0.0343136% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.870795086594073 (0.0291508% change) + iteration 12: trace = 6.870795223905797 (0.0291517% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.86839591905275 (0.0349244% change) + iteration 13: trace = 6.868396093380295 (0.0349239% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.866214460393963 (0.0317659% change) + iteration 14: trace = 6.866214612792483 (0.0317662% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.864840114271255 (0.0200181% change) + iteration 15: trace = 6.864840271539301 (0.020018% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.864049097411033 (0.0115234% change) - large trace change predicted (0.0249857%) + iteration 16: trace = 6.864049240915596 (0.0115236% change) + large trace change predicted (0.0249863%) linmin: converged after 3 iterations. - iteration 17: trace = 6.862313319854823 (0.0252912% change) + iteration 17: trace = 6.862313424264353 (0.0252917% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.860715281714024 (0.0232899% change) + iteration 18: trace = 6.860715394507212 (0.0232898% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.859968867095816 (0.0108801% change) + iteration 19: trace = 6.859968989175805 (0.01088% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.859391987730293 (0.00840971% change) + iteration 20: trace = 6.859392109237456 (0.00840972% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.858827543470897 (0.00822912% change) + iteration 21: trace = 6.858827626036319 (0.00822969% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.858164445695918 (0.00966827% change) + iteration 22: trace = 6.858164505689224 (0.0096686% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.857406213742799 (0.0110565% change) + iteration 23: trace = 6.857406250653263 (0.0110568% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.856832812668843 (0.00836213% change) + iteration 24: trace = 6.85683287536164 (0.00836175% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.856491585992178 (0.00497657% change) + iteration 25: trace = 6.856491631888686 (0.00497682% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.856252213955899 (0.00349123% change) + iteration 26: trace = 6.856252250422006 (0.00349137% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.856048907759838 (0.00296531% change) + iteration 27: trace = 6.85604893183505 (0.00296549% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.855800388343612 (0.00362489% change) + iteration 28: trace = 6.855800417232196 (0.00362482% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.855651414321572 (0.00217299% change) - linmin: converged after 4 iterations. - iteration 30: trace = 6.85551244955388 (0.00202703% change) - linmin: converged after 5 iterations. - iteration 31: trace = 6.855355721707291 (0.00228618% change) + iteration 29: trace = 6.855651439140903 (0.00217305% change) + linmin: converged after 3 iterations. + iteration 30: trace = 6.855512464226376 (0.00202718% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.855230964049745 (0.00181987% change) + iteration 31: trace = 6.855355734278182 (0.00228621% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.855155361996394 (0.00110284% change) + iteration 32: trace = 6.855230972393667 (0.00181994% change) + linmin: converged after 3 iterations. + iteration 33: trace = 6.855155374530219 (0.00110278% change) linmin: converged after 4 iterations. - iteration 34: trace = 6.855094923209286 (0.000881658% change) + iteration 34: trace = 6.855094933253942 (0.000881695% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.85502522022593 (0.00101681% change) + iteration 35: trace = 6.855025229467456 (0.00101682% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.854917694881054 (0.00156857% change) + iteration 36: trace = 6.854917696537447 (0.00156869% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.854865491725366 (0.000761546% change) + iteration 37: trace = 6.85486549815063 (0.000761476% change) linmin: converged after 5 iterations. - iteration 38: trace = 6.854810987470301 (0.000795121% change) - linmin: converged after 4 iterations. - iteration 39: trace = 6.854754433469378 (0.00082503% change) + iteration 38: trace = 6.854810992220552 (0.000795145% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.854698864951357 (0.00081066% change) + iteration 39: trace = 6.854754440769444 (0.000824993% change) linmin: converged after 4 iterations. - iteration 41: trace = 6.854636658912089 (0.000907499% change) + iteration 40: trace = 6.85469886899431 (0.000810707% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.854585363719888 (0.000748331% change) + iteration 41: trace = 6.854636662939932 (0.000907499% change) + linmin: converged after 3 iterations. + iteration 42: trace = 6.854585365974754 (0.000748357% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.854557544507091 (0.000405849% change) - linmin: converged after 5 iterations. - iteration 44: trace = 6.854534989998289 (0.000329045% change) + iteration 43: trace = 6.854557548022263 (0.000405831% change) + linmin: converged after 3 iterations. + iteration 44: trace = 6.854534994185942 (0.000329035% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.854507851821579 (0.000395916% change) + iteration 45: trace = 6.85450785550156 (0.000395924% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.854474003069903 (0.000493819% change) + iteration 46: trace = 6.854474005050851 (0.000493843% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.854448914350061 (0.00036602% change) + iteration 47: trace = 6.854448914649447 (0.000366045% change) linmin: converged after 4 iterations. - iteration 48: trace = 6.854430744342604 (0.000265084% change) + iteration 48: trace = 6.854430745914645 (0.000265065% change) linmin: converged after 4 iterations. - iteration 49: trace = 6.854409554440109 (0.000309142% change) + iteration 49: trace = 6.854409553926399 (0.000309173% change) linmin: converged after 4 iterations. - iteration 50: trace = 6.854386819508194 (0.000331684% change) - linmin: converged after 5 iterations. - iteration 51: trace = 6.854372357327968 (0.000210992% change) + iteration 50: trace = 6.85438682062453 (0.00033166% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.854363722410995 (0.000125977% change) + iteration 51: trace = 6.854372357809184 (0.000211001% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.854355940939491 (0.000113526% change) - linmin: converged after 3 iterations. - iteration 54: trace = 6.854348218710356 (0.000112662% change) - linmin: converged after 3 iterations. - iteration 55: trace = 6.854341815186448 (9.34228e-05% change) + iteration 52: trace = 6.854363723374869 (0.00012597% change) + linmin: converged after 4 iterations. + iteration 53: trace = 6.854355940929942 (0.00011354% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.854336867354777 (7.21854e-05% change) + iteration 54: trace = 6.85434821874854 (0.000112661% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.854332981396825 (5.66934e-05% change) + iteration 55: trace = 6.854341815286637 (9.34219e-05% change) linmin: converged after 4 iterations. - iteration 58: trace = 6.854328856513015 (6.01792e-05% change) - linmin: converged after 11 iterations. - iteration 59: trace = 6.854325493406678 (4.90654e-05% change) + iteration 56: trace = 6.854336867721653 (7.21815e-05% change) + linmin: converged after 5 iterations. + iteration 57: trace = 6.854332981607654 (5.66957e-05% change) + linmin: converged after 4 iterations. + iteration 58: trace = 6.854328856576943 (6.01814e-05% change) + linmin: converged after 4 iterations. + iteration 59: trace = 6.854325493483163 (4.90653e-05% change) linmin: converged after 2 iterations. - iteration 60: trace = 6.854320731349222 (6.94752e-05% change) + iteration 60: trace = 6.854320731159143 (6.94791e-05% change) linmin: converged after 2 iterations. - iteration 61: trace = 6.854317900690151 (4.12974e-05% change) - linmin: converged after 14 iterations. - iteration 62: trace = 6.854316466669672 (2.09214e-05% change) + iteration 61: trace = 6.854317900868841 (4.12921e-05% change) + linmin: converged after 3 iterations. + iteration 62: trace = 6.854316466823581 (2.09218e-05% change) linmin: converged after 4 iterations. - iteration 63: trace = 6.854314812370705 (2.41351e-05% change) + iteration 63: trace = 6.854314812695256 (2.41327e-05% change) linmin: converged after 5 iterations. - iteration 64: trace = 6.85431270814234 (3.06993e-05% change) - linmin: converged after 5 iterations. - iteration 65: trace = 6.854310570375801 (3.11886e-05% change) + iteration 64: trace = 6.854312708151092 (3.07039e-05% change) + linmin: converged after 4 iterations. + iteration 65: trace = 6.854310570389338 (3.11886e-05% change) linmin: converged after 3 iterations. - iteration 66: trace = 6.854309275721606 (1.88882e-05% change) - linmin: converged after 5 iterations. - iteration 67: trace = 6.854307864115552 (2.05944e-05% change) + iteration 66: trace = 6.85430927581082 (1.88871e-05% change) linmin: converged after 4 iterations. - iteration 68: trace = 6.854306225891643 (2.39006e-05% change) + iteration 67: trace = 6.854307864176373 (2.05948e-05% change) + linmin: converged after 3 iterations. + iteration 68: trace = 6.854306225951006 (2.39007e-05% change) linmin: converged after 4 iterations. - iteration 69: trace = 6.854304757601273 (2.14214e-05% change) + iteration 69: trace = 6.854304757710064 (2.14207e-05% change) resetting CG direction... - linmin: converged after 6 iterations. - iteration 70: trace = 6.854304291819817 (6.79546e-06% change) + linmin: converged after 4 iterations. + iteration 70: trace = 6.854304291924876 (6.79551e-06% change) linmin: converged after 2 iterations. - iteration 71: trace = 6.854303980854112 (4.53679e-06% change) + iteration 71: trace = 6.854303980931975 (4.53719e-06% change) linmin: converged after 2 iterations. - iteration 72: trace = 6.854303707023925 (3.99501e-06% change) + iteration 72: trace = 6.854303707086157 (3.99524e-06% change) + linmin: converged after 6 iterations. + iteration 73: trace = 6.854303306312968 (5.84703e-06% change) linmin: converged after 3 iterations. - iteration 73: trace = 6.854303306250371 (5.84704e-06% change) + iteration 74: trace = 6.854303028530163 (4.05268e-06% change) + linmin: converged after 6 iterations. + iteration 75: trace = 6.85430285708269 (2.50131e-06% change) + linmin: converged after 2 iterations. + iteration 76: trace = 6.85430271647393 (2.05139e-06% change) + linmin: converged after 28 iterations. + iteration 77: trace = 6.854302589384792 (1.85415e-06% change) linmin: converged after 4 iterations. - iteration 74: trace = 6.854303028459787 (4.05279e-06% change) - linmin: converged after 26 iterations. - iteration 75: trace = 6.854302857028824 (2.50107e-06% change) + iteration 78: trace = 6.854302422075683 (2.44094e-06% change) linmin: converged after 2 iterations. - iteration 76: trace = 6.854302716407965 (2.05157e-06% change) - linmin: converged after 21 iterations. - iteration 77: trace = 6.854302589318486 (1.85416e-06% change) - linmin: converged after 8 iterations. - iteration 78: trace = 6.8543024219952 (2.44114e-06% change) - linmin: converged after 3 iterations. - iteration 79: trace = 6.854302178669798 (3.54997e-06% change) + iteration 79: trace = 6.854302178708359 (3.55058e-06% change) linmin: converged after 2 iterations. - iteration 80: trace = 6.854302043171542 (1.97684e-06% change) - linmin: converged after 7 iterations. - iteration 81: trace = 6.854301959866874 (1.21536e-06% change) + iteration 80: trace = 6.854302043218789 (1.97671e-06% change) + linmin: converged after 5 iterations. + iteration 81: trace = 6.854301959912175 (1.21539e-06% change) + linmin: converged after 6 iterations. + iteration 82: trace = 6.854301838226057 (1.77532e-06% change) linmin: converged after 4 iterations. - iteration 82: trace = 6.854301838195695 (1.77511e-06% change) - linmin: converged after 3 iterations. - iteration 83: trace = 6.854301701147671 (1.99945e-06% change) + iteration 83: trace = 6.854301701178418 (1.99944e-06% change) + linmin: converged after 7 iterations. + iteration 84: trace = 6.854301574170723 (1.85296e-06% change) linmin: converged after 3 iterations. - iteration 84: trace = 6.854301574144308 (1.8529e-06% change) - linmin: converged after 5 iterations. - iteration 85: trace = 6.854301492749324 (1.1875e-06% change) + iteration 85: trace = 6.854301492777619 (1.18747e-06% change) linmin: converged after 2 iterations. - iteration 86: trace = 6.854301369182877 (1.80276e-06% change) - linmin: converged after 2 iterations. - iteration 87: trace = 6.854301206101426 (2.37926e-06% change) + iteration 86: trace = 6.854301369197436 (1.80296e-06% change) linmin: converged after 3 iterations. - iteration 88: trace = 6.854301115055389 (1.32831e-06% change) - linmin: converged after 8 iterations. - iteration 89: trace = 6.854301061409414 (7.82661e-07% change) - linmin: converged after 10 iterations. - iteration 90: trace = 6.85430101058803 (7.41452e-07% change) - linmin: converged after 25 iterations. - iteration 91: trace = 6.854300954171511 (8.23082e-07% change) - linmin: converged after 9 iterations. - iteration 92: trace = 6.854300910074123 (6.43354e-07% change) + iteration 87: trace = 6.854301206123752 (2.37914e-06% change) linmin: converged after 3 iterations. - iteration 93: trace = 6.854300884300905 (3.76015e-07% change) + iteration 88: trace = 6.854301115069514 (1.32842e-06% change) + linmin: converged after 8 iterations. + iteration 89: trace = 6.85430106142502 (7.8264e-07% change) linmin: converged after 2 iterations. - iteration 94: trace = 6.854300873282391 (1.60753e-07% change) - linmin: converged after 14 iterations. - iteration 95: trace = 6.85430086333026 (1.45195e-07% change) - linmin: converged after 5 iterations. - iteration 96: trace = 6.8543008522905 (1.61063e-07% change) - linmin: converged after 4 iterations. - iteration 97: trace = 6.854300845276386 (1.02332e-07% change) - linmin: converged after 4 iterations. - iteration 98: trace = 6.854300839712233 (8.11775e-08% change) - linmin: converged after 4 iterations. - iteration 99: trace = 6.854300833149797 (9.57419e-08% change) - linmin: converged after 17 iterations. - iteration 100: trace = 6.854300824943884 (1.19719e-07% change) - linmin: converged after 4 iterations. - iteration 101: trace = 6.854300821443228 (5.10724e-08% change) + iteration 90: trace = 6.854301010593968 (7.41594e-07% change) linmin: converged after 4 iterations. - iteration 102: trace = 6.85430081941243 (2.96281e-08% change) + iteration 91: trace = 6.85430095417636 (8.23098e-07% change) + linmin: converged after 3 iterations. + iteration 92: trace = 6.854300910084266 (6.43276e-07% change) + linmin: converged after 11 iterations. + iteration 93: trace = 6.854300884311806 (3.76004e-07% change) linmin: converged after 2 iterations. - iteration 103: trace = 6.854300816196325 (4.6921e-08% change) + iteration 94: trace = 6.854300873286673 (1.6085e-07% change) linmin: converged after 3 iterations. - iteration 104: trace = 6.854300810980522 (7.60953e-08% change) - linmin: converged after 8 iterations. - iteration 105: trace = 6.854300805513105 (7.97662e-08% change) - linmin: converged after 4 iterations. - iteration 106: trace = 6.85430080083837 (6.82015e-08% change) + iteration 95: trace = 6.854300863332568 (1.45224e-07% change) linmin: converged after 4 iterations. - iteration 107: trace = 6.854300798695352 (3.12653e-08% change) + iteration 96: trace = 6.854300852298006 (1.60987e-07% change) + linmin: converged after 3 iterations. + iteration 97: trace = 6.854300845287994 (1.02272e-07% change) linmin: converged after 4 iterations. - iteration 108: trace = 6.854300795829086 (4.1817e-08% change) - large trace change predicted (8.55129e-08%) + iteration 98: trace = 6.85430083971744 (8.12709e-08% change) linmin: converged after 4 iterations. - iteration 109: trace = 6.854300789967759 (8.55131e-08% change) + iteration 99: trace = 6.854300833154365 (9.57512e-08% change) + linmin: converged after 2 iterations. + iteration 100: trace = 6.85430082495542 (1.19618e-07% change) linmin: converged after 5 iterations. - iteration 110: trace = 6.854300784483071 (8.00182e-08% change) + iteration 101: trace = 6.854300821454061 (5.10827e-08% change) linmin: converged after 4 iterations. - iteration 111: trace = 6.854300782568909 (2.79264e-08% change) - linmin: converged after 3 iterations. - iteration 112: trace = 6.854300780884584 (2.45733e-08% change) + iteration 102: trace = 6.85430081941635 (2.97289e-08% change) + linmin: converged after 7 iterations. + iteration 103: trace = 6.854300816198153 (4.69515e-08% change) + linmin: converged after 6 iterations. + iteration 104: trace = 6.854300810981886 (7.61021e-08% change) linmin: converged after 4 iterations. - iteration 113: trace = 6.854300777946526 (4.28644e-08% change) + iteration 105: trace = 6.854300805513756 (7.97766e-08% change) linmin: converged after 2 iterations. - iteration 114: trace = 6.854300776030484 (2.79539e-08% change) + iteration 106: trace = 6.854300800838592 (6.82077e-08% change) linmin: converged after 4 iterations. - iteration 115: trace = 6.854300775076961 (1.39113e-08% change) - linmin: converged after 5 iterations. - iteration 116: trace = 6.854300773901541 (1.71486e-08% change) - linmin: converged after 5 iterations. - iteration 117: trace = 6.854300773062589 (1.22398e-08% change) - linmin: converged after 4 iterations. - iteration 118: trace = 6.854300772491557 (8.331e-09% change) + iteration 107: trace = 6.854300798699084 (3.12141e-08% change) + linmin: converged after 11 iterations. + iteration 108: trace = 6.854300795827652 (4.18924e-08% change) + large trace change predicted (8.57014e-08%) linmin: converged after 3 iterations. - iteration 119: trace = 6.854300772093142 (5.81264e-09% change) - linmin: converged after 8 iterations. - iteration 120: trace = 6.854300771871336 (3.23601e-09% change) + iteration 109: trace = 6.854300789953402 (8.57017e-08% change) + linmin: converged after 12 iterations. + iteration 110: trace = 6.854300784489385 (7.97166e-08% change) + linmin: converged after 3 iterations. + iteration 111: trace = 6.854300782589322 (2.77207e-08% change) linmin: converged after 4 iterations. - iteration 121: trace = 6.854300771709897 (2.35529e-09% change) - linmin: converged after 8 iterations. - iteration 122: trace = 6.854300771418055 (4.2578e-09% change) + iteration 112: trace = 6.854300780944767 (2.3993e-08% change) linmin: converged after 4 iterations. - iteration 123: trace = 6.854300771297972 (1.75194e-09% change) - linmin: converged after 7 iterations. - iteration 124: trace = 6.854300771230555 (9.83562e-10% change) + iteration 113: trace = 6.854300777947171 (4.37331e-08% change) + linmin: converged after 2 iterations. + iteration 114: trace = 6.854300776043421 (2.77745e-08% change) + linmin: converged after 23 iterations. + iteration 115: trace = 6.854300775108526 (1.36395e-08% change) + linmin: converged after 14 iterations. + iteration 116: trace = 6.854300773907577 (1.75211e-08% change) + linmin: converged after 15 iterations. + iteration 117: trace = 6.854300773061912 (1.23377e-08% change) + linmin: converged after 2 iterations. + iteration 118: trace = 6.854300772493293 (8.2958e-09% change) + linmin: converged after 2 iterations. + iteration 119: trace = 6.85430077209776 (5.77057e-09% change) + linmin: converged after 15 iterations. + iteration 120: trace = 6.854300771871914 (3.29495e-09% change) linmin: converged after 4 iterations. - iteration 125: trace = 6.854300771169864 (8.85444e-10% change) + iteration 121: trace = 6.854300771709916 (2.36346e-09% change) linmin: converged after 3 iterations. - iteration 126: trace = 6.854300771101607 (9.95833e-10% change) - linmin: converged after 9 iterations. - iteration 127: trace = 6.854300771046185 (8.08565e-10% change) - linmin: converged after 5 iterations. - iteration 128: trace = 6.854300771013497 (4.76905e-10% change) + iteration 122: trace = 6.854300771420593 (4.22105e-09% change) + linmin: converged after 2 iterations. + iteration 123: trace = 6.854300771299132 (1.77203e-09% change) + linmin: converged after 4 iterations. + iteration 124: trace = 6.854300771230592 (9.99967e-10% change) + linmin: converged after 2 iterations. + iteration 125: trace = 6.854300771169991 (8.84122e-10% change) + linmin: converged after 14 iterations. + iteration 126: trace = 6.854300771102302 (9.8754e-10% change) + linmin: converged after 3 iterations. + iteration 127: trace = 6.854300771046526 (8.13748e-10% change) linmin: converged after 3 iterations. - iteration 129: trace = 6.854300770988869 (3.59299e-10% change) + iteration 128: trace = 6.854300771013546 (4.81155e-10% change) linmin: converged after 4 iterations. - iteration 130: trace = 6.854300770973587 (2.22955e-10% change) - linmin: converged after 17 iterations. - iteration 131: trace = 6.854300770966001 (1.10687e-10% change) - linmin: converged after 8 iterations. - iteration 132: trace = 6.854300770959848 (8.97599e-11% change) + iteration 129: trace = 6.854300770988935 (3.59052e-10% change) + linmin: converged after 3 iterations. + iteration 130: trace = 6.854300770974049 (2.17176e-10% change) + linmin: converged after 6 iterations. + iteration 131: trace = 6.854300770966527 (1.09741e-10% change) + linmin: converged after 3 iterations. + iteration 132: trace = 6.854300770959911 (9.65239e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 2.584249496459961 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.701793255697757 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0> -Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007042 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 1.0077925606104412 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341773 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679233695 at Vector3<0.3, 0.3, 0.0> -Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> -Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919% -Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% -total elapsed time for run: 28.57735323905945 +elapsed time for k point: 2.8816351890563965 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037562 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.4732823234872546 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290579 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323032282 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711838 at Vector3<0.5, 0.1, 0.0> +Band 5 range: 0.9047498485810481 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007027 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 1.0077925606102744 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228732 at Vector3<0.3, 0.3, 0.0> +Band 8 range: 1.2059728636717604 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> +Gap from band 1 (0.4165291233037562) to band 2 (0.4732823234872546), 12.756230634742094% +Gap from band 4 (0.8863448167711838) to band 5 (0.9047498485810481), 2.055171305671308% +total elapsed time for run: 96.28697037696838 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepFBAM2J/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepYM7cP9/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -./tmp/meepFBAM2J/test_run_te_with_mu_material-0: 28.58s +./tmp/meepYM7cP9/test_run_te_with_mu_material-0: 96.33s -/tmp/meepFBAM2J/test_run_tm-0 +/tmp/meepYM7cP9/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81277,7 +81283,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017087459564208984 +elapsed time for initialization: 0.0041048526763916016 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -81413,7 +81419,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.5840761661529541 +elapsed time for k point: 0.6609959602355957 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81464,7 +81470,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.31969285011291504 +elapsed time for k point: 0.3806731700897217 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81495,7 +81501,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.20363569259643555 +elapsed time for k point: 0.144148588180542 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81526,7 +81532,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.04782414436340332 +elapsed time for k point: 0.11991524696350098 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81557,7 +81563,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.1466352939605713 +elapsed time for k point: 0.14795923233032227 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81588,7 +81594,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.054068803787231445 +elapsed time for k point: 0.1523890495300293 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81617,7 +81623,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04593324661254883 +elapsed time for k point: 0.1312103271484375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81644,7 +81650,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.04191708564758301 +elapsed time for k point: 0.11453747749328613 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81673,7 +81679,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.06740951538085938 +elapsed time for k point: 0.2215883731842041 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81706,7 +81712,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.05167126655578613 +elapsed time for k point: 0.1628437042236328 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81741,7 +81747,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.08484673500061035 +elapsed time for k point: 0.19058489799499512 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81778,7 +81784,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.059745073318481445 +elapsed time for k point: 0.35074806213378906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81807,7 +81813,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.04679584503173828 +elapsed time for k point: 0.12117624282836914 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81836,7 +81842,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.07974410057067871 +elapsed time for k point: 0.1314697265625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81869,7 +81875,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.05168271064758301 +elapsed time for k point: 0.13598155975341797 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82001,7 +82007,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -.elapsed time for k point: 0.16650676727294922 +.elapsed time for k point: 0.6432275772094727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -82012,11 +82018,11 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 2.0554745197296143 +total elapsed time for run: 3.8167724609375 done -/tmp/meepFBAM2J/test_run_tm-0: 2.06s +/tmp/meepYM7cP9/test_run_tm-0: 3.82s -/tmp/meepFBAM2J/test_set_eigenvectors-0 +/tmp/meepYM7cP9/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82059,7 +82065,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016732215881347656 +elapsed time for initialization: 0.015459537506103516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -82170,7 +82176,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.16530299186706543 +elapsed time for k point: 0.9402763843536377 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82421,7 +82427,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4557943344116211 +elapsed time for k point: 2.27549147605896 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82478,7 +82484,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09783554077148438 +elapsed time for k point: 0.26644277572631836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82531,7 +82537,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08742713928222656 +elapsed time for k point: 0.34723901748657227 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82592,7 +82598,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22276616096496582 +elapsed time for k point: 0.30844664573669434 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82685,7 +82691,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.39264392852783203 +elapsed time for k point: 0.5438129901885986 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82756,7 +82762,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.4688866138458252 +elapsed time for k point: 0.323089599609375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82817,7 +82823,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10118961334228516 +elapsed time for k point: 0.26929497718811035 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82870,7 +82876,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08657312393188477 +elapsed time for k point: 0.23890423774719238 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82922,7 +82928,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.1859581470489502 +elapsed time for k point: 0.214341402053833 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82974,7 +82980,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.3735063076019287 +elapsed time for k point: 0.23296093940734863 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83015,7 +83021,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06638050079345703 +elapsed time for k point: 0.1943655014038086 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83062,7 +83068,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.09281659126281738 +elapsed time for k point: 0.2551405429840088 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83125,7 +83131,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10508489608764648 +elapsed time for k point: 0.24403786659240723 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83198,7 +83204,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1244819164276123 +elapsed time for k point: 0.32837367057800293 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83393,7 +83399,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25489068031311035 +elapsed time for k point: 0.6922283172607422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -83405,7 +83411,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.2848541736602783 +total elapsed time for run: 7.693256378173828 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83447,7 +83453,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016584396362304688 +elapsed time for initialization: 0.004832267761230469 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -83558,7 +83564,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.21925950050354004 +elapsed time for k point: 0.3631584644317627 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83809,7 +83815,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.6393897533416748 +elapsed time for k point: 1.8576312065124512 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83866,7 +83872,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10166430473327637 +elapsed time for k point: 0.5290212631225586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83919,7 +83925,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08811306953430176 +elapsed time for k point: 0.526970386505127 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83980,7 +83986,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.13018512725830078 +elapsed time for k point: 0.30340123176574707 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84073,7 +84079,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1567370891571045 +elapsed time for k point: 0.796459436416626 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84144,7 +84150,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.17484807968139648 +elapsed time for k point: 1.1151065826416016 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84205,7 +84211,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.363659143447876 +elapsed time for k point: 0.4767608642578125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84258,7 +84264,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1123044490814209 +elapsed time for k point: 0.3412489891052246 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84310,7 +84316,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.1013495922088623 +elapsed time for k point: 0.30817317962646484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84362,7 +84368,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08259153366088867 +elapsed time for k point: 0.42491912841796875 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84403,7 +84409,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0689094066619873 +elapsed time for k point: 1.0122346878051758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84450,7 +84456,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08019256591796875 +elapsed time for k point: 0.6293001174926758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84513,7 +84519,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.19491815567016602 +elapsed time for k point: 0.8015284538269043 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84586,7 +84592,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.13351893424987793 +elapsed time for k point: 0.9473361968994141 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84781,7 +84787,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.6698310375213623 +elapsed time for k point: 1.9903767108917236 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -84793,7 +84799,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.320626974105835 +total elapsed time for run: 12.432462692260742 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84835,7 +84841,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001667022705078125 +elapsed time for initialization: 0.004652261734008789 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -84946,7 +84952,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.19902324676513672 +elapsed time for k point: 0.3805427551269531 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85197,7 +85203,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.1143653392791748 +elapsed time for k point: 1.1304490566253662 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85254,7 +85260,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.24817585945129395 +elapsed time for k point: 0.21662688255310059 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85307,7 +85313,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08777737617492676 +elapsed time for k point: 0.19649744033813477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85368,7 +85374,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.11756110191345215 +elapsed time for k point: 0.22391057014465332 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85461,7 +85467,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1605851650238037 +elapsed time for k point: 0.41349077224731445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85532,7 +85538,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.6218256950378418 +elapsed time for k point: 0.28005194664001465 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85593,7 +85599,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10480046272277832 +elapsed time for k point: 0.23554754257202148 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85646,7 +85652,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08652424812316895 +elapsed time for k point: 0.1980445384979248 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85698,7 +85704,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08362650871276855 +elapsed time for k point: 0.20022273063659668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85750,7 +85756,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08452391624450684 +elapsed time for k point: 0.20223355293273926 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85791,7 +85797,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06566834449768066 +elapsed time for k point: 0.14835762977600098 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85838,7 +85844,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07595157623291016 +elapsed time for k point: 0.1992201805114746 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85901,7 +85907,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10407829284667969 +elapsed time for k point: 0.24471473693847656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85974,7 +85980,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12147235870361328 +elapsed time for k point: 0.28322744369506836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86169,7 +86175,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.28977394104003906 +.elapsed time for k point: 0.5818662643432617 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -86181,11 +86187,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.568908214569092 +total elapsed time for run: 5.14295220375061 done -/tmp/meepFBAM2J/test_set_eigenvectors-0: 10.18s +/tmp/meepYM7cP9/test_set_eigenvectors-0: 25.28s -/tmp/meepFBAM2J/test_sq_rods-0 +/tmp/meepYM7cP9/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86228,7 +86234,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015861988067626953 +elapsed time for initialization: 0.0050928592681884766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -86327,7 +86333,7 @@ iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.1273210048675537 +elapsed time for k point: 0.31352710723876953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86606,7 +86612,7 @@ iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 0.5702738761901855 +elapsed time for k point: 1.366684913635254 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86665,7 +86671,7 @@ iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 -elapsed time for k point: 0.2760140895843506 +elapsed time for k point: 0.2115647792816162 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86714,7 +86720,7 @@ iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 -elapsed time for k point: 0.10460400581359863 +elapsed time for k point: 0.1808643341064453 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86773,7 +86779,7 @@ iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 -elapsed time for k point: 0.09775233268737793 +elapsed time for k point: 0.21437835693359375 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86876,7 +86882,7 @@ iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 -elapsed time for k point: 0.1767258644104004 +elapsed time for k point: 0.38677525520324707 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86947,7 +86953,7 @@ iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 -elapsed time for k point: 0.11842727661132812 +elapsed time for k point: 0.2742922306060791 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87006,7 +87012,7 @@ iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 -elapsed time for k point: 0.26100587844848633 +elapsed time for k point: 0.21395611763000488 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87057,7 +87063,7 @@ iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 -elapsed time for k point: 0.08313584327697754 +elapsed time for k point: 0.1868274211883545 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87109,7 +87115,7 @@ iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.6743268966674805 +elapsed time for k point: 0.20958614349365234 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87159,7 +87165,7 @@ iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 -elapsed time for k point: 1.2006757259368896 +elapsed time for k point: 0.1933906078338623 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87200,7 +87206,7 @@ iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 -elapsed time for k point: 0.49736785888671875 +elapsed time for k point: 0.14445877075195312 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87245,7 +87251,7 @@ iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 -elapsed time for k point: 0.573063850402832 +elapsed time for k point: 0.16234731674194336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87302,7 +87308,7 @@ iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 -elapsed time for k point: 0.20827865600585938 +elapsed time for k point: 0.21699786186218262 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87377,7 +87383,7 @@ iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 -elapsed time for k point: 0.5760695934295654 +elapsed time for k point: 0.2976107597351074 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87415,159 +87421,159 @@ linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.643821363409049 (0.0851002% change) - linmin: converged after 5 iterations. - iteration 18: trace = 5.638869397659223 (0.0877799% change) + iteration 17: trace = 5.64382136340905 (0.0851002% change) linmin: converged after 5 iterations. - iteration 19: trace = 5.635889317550877 (0.0528629% change) - linmin: converged after 11 iterations. - iteration 20: trace = 5.633934894998681 (0.0346842% change) + iteration 18: trace = 5.638869397659225 (0.0877799% change) + linmin: converged after 6 iterations. + iteration 19: trace = 5.635889317550872 (0.0528629% change) + linmin: converged after 7 iterations. + iteration 20: trace = 5.633934894998956 (0.0346842% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.632971468096789 (0.0171019% change) + iteration 21: trace = 5.632971468096913 (0.0171019% change) linmin: converged after 4 iterations. - iteration 22: trace = 5.63216107652609 (0.0143876% change) + iteration 22: trace = 5.632161076526172 (0.0143876% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.631516240217442 (0.0114498% change) + iteration 23: trace = 5.631516240217539 (0.0114498% change) linmin: converged after 4 iterations. - iteration 24: trace = 5.630961940342996 (0.0098433% change) + iteration 24: trace = 5.630961940343088 (0.0098433% change) linmin: converged after 4 iterations. - iteration 25: trace = 5.630499098063058 (0.00821993% change) + iteration 25: trace = 5.630499098063129 (0.00821993% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.630122619620746 (0.00668664% change) + iteration 26: trace = 5.63012261962082 (0.00668664% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.629867621853688 (0.00452927% change) + iteration 27: trace = 5.629867621853739 (0.00452927% change) linmin: converged after 3 iterations. - iteration 28: trace = 5.629720051219722 (0.00262124% change) + iteration 28: trace = 5.629720051219762 (0.00262124% change) linmin: converged after 3 iterations. - iteration 29: trace = 5.629605777063844 (0.00202986% change) + iteration 29: trace = 5.629605777063893 (0.00202986% change) linmin: converged after 3 iterations. - iteration 30: trace = 5.629504361182864 (0.00180149% change) + iteration 30: trace = 5.629504361182908 (0.00180149% change) linmin: converged after 3 iterations. - iteration 31: trace = 5.629394147465816 (0.00195781% change) + iteration 31: trace = 5.629394147465852 (0.00195781% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.629290226406005 (0.00184606% change) + iteration 32: trace = 5.629290226406036 (0.00184606% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.629198024992199 (0.0016379% change) + iteration 33: trace = 5.629198024992228 (0.0016379% change) linmin: converged after 3 iterations. - iteration 34: trace = 5.629133733964276 (0.00114211% change) + iteration 34: trace = 5.629133733964292 (0.00114211% change) linmin: converged after 3 iterations. - iteration 35: trace = 5.62908622297124 (0.000844023% change) + iteration 35: trace = 5.629086222971256 (0.000844023% change) linmin: converged after 3 iterations. - iteration 36: trace = 5.629045867570187 (0.000716911% change) + iteration 36: trace = 5.629045867570204 (0.000716911% change) linmin: converged after 3 iterations. - iteration 37: trace = 5.629010408060253 (0.00062994% change) + iteration 37: trace = 5.629010408060275 (0.00062994% change) linmin: converged after 3 iterations. - iteration 38: trace = 5.62897900457245 (0.000557888% change) + iteration 38: trace = 5.62897900457247 (0.000557888% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.628952468543664 (0.000471419% change) - linmin: converged after 3 iterations. - iteration 40: trace = 5.628932212763313 (0.000359851% change) - linmin: converged after 3 iterations. - iteration 41: trace = 5.628917703762905 (0.000257758% change) + iteration 39: trace = 5.62895246854367 (0.000471419% change) linmin: converged after 4 iterations. - iteration 42: trace = 5.628904770133663 (0.000229771% change) + iteration 40: trace = 5.628932212763319 (0.000359851% change) + linmin: converged after 3 iterations. + iteration 41: trace = 5.628917703762922 (0.000257758% change) linmin: converged after 4 iterations. - iteration 43: trace = 5.628894295239232 (0.000186091% change) + iteration 42: trace = 5.628904770133662 (0.000229771% change) linmin: converged after 4 iterations. - iteration 44: trace = 5.628885548977001 (0.000155382% change) + iteration 43: trace = 5.628894295239233 (0.000186091% change) linmin: converged after 4 iterations. - iteration 45: trace = 5.628880125204432 (9.63561e-05% change) + iteration 44: trace = 5.628885548977002 (0.000155382% change) linmin: converged after 4 iterations. - iteration 46: trace = 5.628876480396267 (6.47519e-05% change) + iteration 45: trace = 5.628880125204436 (9.63561e-05% change) linmin: converged after 5 iterations. - iteration 47: trace = 5.628873855273834 (4.66367e-05% change) + iteration 46: trace = 5.628876480396275 (6.47519e-05% change) linmin: converged after 4 iterations. - iteration 48: trace = 5.628871914588438 (3.44773e-05% change) + iteration 47: trace = 5.628873855273834 (4.66367e-05% change) linmin: converged after 5 iterations. - iteration 49: trace = 5.628870173455866 (3.09322e-05% change) + iteration 48: trace = 5.628871914588441 (3.44773e-05% change) linmin: converged after 5 iterations. - iteration 50: trace = 5.628868872043185 (2.31203e-05% change) - linmin: converged after 4 iterations. - iteration 51: trace = 5.628867792579706 (1.91773e-05% change) - linmin: converged after 4 iterations. - iteration 52: trace = 5.628867067350905 (1.28841e-05% change) - linmin: converged after 4 iterations. - iteration 53: trace = 5.628866472395086 (1.05697e-05% change) + iteration 49: trace = 5.62887017345587 (3.09322e-05% change) + linmin: converged after 6 iterations. + iteration 50: trace = 5.628868872043183 (2.31203e-05% change) + linmin: converged after 5 iterations. + iteration 51: trace = 5.628867792579709 (1.91773e-05% change) linmin: converged after 4 iterations. - iteration 54: trace = 5.628866038937664 (7.70062e-06% change) + iteration 52: trace = 5.628867067350911 (1.28841e-05% change) + linmin: converged after 6 iterations. + iteration 53: trace = 5.628866472395092 (1.05697e-05% change) + linmin: converged after 5 iterations. + iteration 54: trace = 5.628866038918492 (7.70096e-06% change) linmin: converged after 5 iterations. - iteration 55: trace = 5.628865733630174 (5.42396e-06% change) + iteration 55: trace = 5.628865733610263 (5.42397e-06% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.628865472838854 (4.63311e-06% change) - linmin: converged after 6 iterations. - iteration 57: trace = 5.628865257055493 (3.83351e-06% change) + iteration 56: trace = 5.628865472822635 (4.63304e-06% change) linmin: converged after 2 iterations. - iteration 58: trace = 5.628865067339921 (3.37041e-06% change) - linmin: converged after 17 iterations. - iteration 59: trace = 5.628864923854199 (2.54911e-06% change) - linmin: converged after 4 iterations. - iteration 60: trace = 5.628864787382382 (2.4245e-06% change) - linmin: converged after 6 iterations. - iteration 61: trace = 5.628864676737184 (1.96568e-06% change) - linmin: converged after 12 iterations. - iteration 62: trace = 5.628864577624377 (1.7608e-06% change) + iteration 57: trace = 5.628865257040933 (3.83348e-06% change) linmin: converged after 2 iterations. - iteration 63: trace = 5.628864491677724 (1.52689e-06% change) + iteration 58: trace = 5.628865067339544 (3.37015e-06% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.628864423563048 (1.2101e-06% change) + iteration 59: trace = 5.628864923855851 (2.54907e-06% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.628864369043746 (9.68567e-07% change) + iteration 60: trace = 5.628864787380481 (2.42456e-06% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.628864328356191 (7.22838e-07% change) - linmin: converged after 4 iterations. - iteration 67: trace = 5.62886429490853 (5.94217e-07% change) + iteration 61: trace = 5.628864676735699 (1.96567e-06% change) + linmin: converged after 7 iterations. + iteration 62: trace = 5.628864577622471 (1.7608e-06% change) + linmin: converged after 2 iterations. + iteration 63: trace = 5.628864491673314 (1.52694e-06% change) linmin: converged after 2 iterations. - iteration 68: trace = 5.628864268958717 (4.61013e-07% change) + iteration 64: trace = 5.628864423558427 (1.2101e-06% change) + linmin: converged after 2 iterations. + iteration 65: trace = 5.628864369039819 (9.68554e-07% change) + linmin: converged after 3 iterations. + iteration 66: trace = 5.628864328352566 (7.22832e-07% change) linmin: converged after 4 iterations. - iteration 69: trace = 5.628864245244371 (4.21299e-07% change) + iteration 67: trace = 5.628864294905815 (5.94201e-07% change) + linmin: converged after 2 iterations. + iteration 68: trace = 5.628864268956475 (4.61005e-07% change) + linmin: converged after 2 iterations. + iteration 69: trace = 5.628864245242415 (4.21294e-07% change) resetting CG direction... - linmin: converged after 3 iterations. - iteration 70: trace = 5.628864210816833 (6.11625e-07% change) + linmin: converged after 7 iterations. + iteration 70: trace = 5.628864210815122 (6.11621e-07% change) linmin: converged after 2 iterations. - iteration 71: trace = 5.62886418580456 (4.44357e-07% change) + iteration 71: trace = 5.628864185803895 (4.44339e-07% change) linmin: converged after 4 iterations. - iteration 72: trace = 5.628864176497276 (1.65349e-07% change) - linmin: converged after 4 iterations. - iteration 73: trace = 5.62886417232988 (7.40362e-08% change) - linmin: converged after 2 iterations. - iteration 74: trace = 5.628864170611609 (3.05261e-08% change) + iteration 72: trace = 5.628864176497 (1.65342e-07% change) linmin: converged after 3 iterations. - iteration 75: trace = 5.628864170125619 (8.63391e-09% change) + iteration 73: trace = 5.628864172329766 (7.40333e-08% change) + linmin: converged after 13 iterations. + iteration 74: trace = 5.628864170611541 (3.05252e-08% change) + linmin: converged after 2 iterations. + iteration 75: trace = 5.628864170125547 (8.63397e-09% change) + linmin: converged after 2 iterations. + iteration 76: trace = 5.628864169899412 (4.01741e-09% change) linmin: converged after 10 iterations. - iteration 76: trace = 5.628864169899462 (4.01781e-09% change) - linmin: converged after 18 iterations. - iteration 77: trace = 5.628864169746225 (2.72233e-09% change) + iteration 77: trace = 5.628864169746183 (2.72219e-09% change) + linmin: converged after 3 iterations. + iteration 78: trace = 5.62886416956559 (3.20834e-09% change) linmin: converged after 2 iterations. - iteration 78: trace = 5.628864169565629 (3.20839e-09% change) + iteration 79: trace = 5.628864169372521 (3.42999e-09% change) + linmin: converged after 12 iterations. + iteration 80: trace = 5.628864169215215 (2.79462e-09% change) + linmin: converged after 7 iterations. + iteration 81: trace = 5.628864169115518 (1.77118e-09% change) linmin: converged after 6 iterations. - iteration 79: trace = 5.628864169372546 (3.43023e-09% change) - linmin: converged after 18 iterations. - iteration 80: trace = 5.628864169215229 (2.79484e-09% change) - linmin: converged after 4 iterations. - iteration 81: trace = 5.628864169115528 (1.77124e-09% change) + iteration 82: trace = 5.628864169056966 (1.04021e-09% change) linmin: converged after 5 iterations. - iteration 82: trace = 5.628864169056972 (1.04028e-09% change) + iteration 83: trace = 5.628864169025804 (5.53606e-10% change) linmin: converged after 4 iterations. - iteration 83: trace = 5.628864169025802 (5.53748e-10% change) - linmin: converged after 7 iterations. - iteration 84: trace = 5.628864169015142 (1.89395e-10% change) - linmin: converged after 8 iterations. - iteration 85: trace = 5.628864169011921 (5.72147e-11% change) + iteration 84: trace = 5.628864169015136 (1.89522e-10% change) + linmin: converged after 6 iterations. + iteration 85: trace = 5.628864169011921 (5.712e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.2988450527191162 +elapsed time for k point: 0.5497608184814453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585584 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% -total elapsed time for run: 5.847047567367554 +total elapsed time for run: 5.131316184997559 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87609,7 +87615,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016753673553466797 +elapsed time for initialization: 0.004443168640136719 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -87686,7 +87692,7 @@ iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -elapsed time for k point: 0.672706127166748 +elapsed time for k point: 0.21392083168029785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87745,7 +87751,7 @@ iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 -elapsed time for k point: 0.09885120391845703 +elapsed time for k point: 0.2118673324584961 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87776,7 +87782,7 @@ iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 -elapsed time for k point: 0.04820537567138672 +elapsed time for k point: 0.10857152938842773 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87807,7 +87813,7 @@ iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 -elapsed time for k point: 0.047902584075927734 +elapsed time for k point: 0.1136484146118164 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87838,7 +87844,7 @@ iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 -elapsed time for k point: 0.04956531524658203 +elapsed time for k point: 0.10497212409973145 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87871,7 +87877,7 @@ iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 -elapsed time for k point: 0.05408930778503418 +elapsed time for k point: 0.19805073738098145 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87898,7 +87904,7 @@ iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 -elapsed time for k point: 0.04261636734008789 +elapsed time for k point: 0.14238786697387695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87927,7 +87933,7 @@ iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 -elapsed time for k point: 0.045035600662231445 +elapsed time for k point: 0.0934288501739502 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87956,7 +87962,7 @@ iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.04443931579589844 +elapsed time for k point: 0.18250298500061035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87989,7 +87995,7 @@ iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 -elapsed time for k point: 0.0513453483581543 +elapsed time for k point: 0.20145583152770996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88024,7 +88030,7 @@ iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 -elapsed time for k point: 0.05531167984008789 +elapsed time for k point: 0.1330564022064209 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88063,7 +88069,7 @@ iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 -elapsed time for k point: 0.13698053359985352 +elapsed time for k point: 0.13511109352111816 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88092,7 +88098,7 @@ iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 -elapsed time for k point: 0.047028541564941406 +elapsed time for k point: 0.1202390193939209 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88121,7 +88127,7 @@ iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 -elapsed time for k point: 0.12241220474243164 +elapsed time for k point: 0.10216426849365234 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88152,7 +88158,7 @@ iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 -elapsed time for k point: 0.11492085456848145 +elapsed time for k point: 0.11397528648376465 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88285,7 +88291,7 @@ iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -.elapsed time for k point: 0.430591344833374 +.elapsed time for k point: 0.4030263423919678 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> @@ -88296,11 +88302,11 @@ Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% -total elapsed time for run: 2.065129280090332 +total elapsed time for run: 2.585867166519165 done -/tmp/meepFBAM2J/test_sq_rods-0: 7.91s +/tmp/meepYM7cP9/test_sq_rods-0: 7.72s -/tmp/meepFBAM2J/test_strip-0 +/tmp/meepYM7cP9/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88342,7 +88348,7 @@ Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> -elapsed time for initialization: 0.004653215408325195 +elapsed time for initialization: 0.01024317741394043 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... @@ -88431,7 +88437,7 @@ iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 -elapsed time for k point: 0.7212982177734375 +elapsed time for k point: 0.7670292854309082 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): @@ -88498,7 +88504,7 @@ iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 -elapsed time for k point: 0.2156062126159668 +elapsed time for k point: 0.6967775821685791 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): @@ -88571,7 +88577,7 @@ iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 -elapsed time for k point: 0.6041355133056641 +elapsed time for k point: 0.7844521999359131 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): @@ -88634,7 +88640,7 @@ iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 -elapsed time for k point: 0.3038296699523926 +elapsed time for k point: 0.6147840023040771 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): @@ -88747,7 +88753,7 @@ iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 -elapsed time for k point: 0.3791208267211914 +elapsed time for k point: 2.3251848220825195 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): @@ -88812,7 +88818,7 @@ iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 -elapsed time for k point: 0.2384049892425537 +elapsed time for k point: 0.6946964263916016 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): @@ -88885,7 +88891,7 @@ iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 -elapsed time for k point: 0.3878800868988037 +elapsed time for k point: 0.8725800514221191 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): @@ -88990,258 +88996,276 @@ linmin: converged after 16 iterations. iteration 48: trace = 4.163145643304694 (1.80198e-05% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 79.5112%) iteration 49: trace = 4.163144891337117 (1.80625e-05% change) - iteration 50: trace = 4.163144137514863 (1.8107e-05% change) - iteration 51: trace = 4.163143381941426 (1.81491e-05% change) - iteration 52: trace = 4.163142623825554 (1.82102e-05% change) - iteration 53: trace = 4.163141863091526 (1.82731e-05% change) - iteration 54: trace = 4.163141099662234 (1.83378e-05% change) - iteration 55: trace = 4.163140333459408 (1.84044e-05% change) - iteration 56: trace = 4.163139564403941 (1.8473e-05% change) - iteration 57: trace = 4.163138792415885 (1.85434e-05% change) - iteration 58: trace = 4.163138017414674 (1.86158e-05% change) - iteration 59: trace = 4.163137239319036 (1.86901e-05% change) - iteration 60: trace = 4.163136458047249 (1.87664e-05% change) - iteration 61: trace = 4.16313567351715 (1.88447e-05% change) - iteration 62: trace = 4.163134885646228 (1.89249e-05% change) - iteration 63: trace = 4.163134094351706 (1.90072e-05% change) - iteration 64: trace = 4.163133299550624 (1.90914e-05% change) - iteration 65: trace = 4.163132501159859 (1.91776e-05% change) - iteration 66: trace = 4.16313169909625 (1.92659e-05% change) - iteration 67: trace = 4.163130893276701 (1.93561e-05% change) - iteration 68: trace = 4.163130083618064 (1.94483e-05% change) - iteration 69: trace = 4.163129270037484 (1.95425e-05% change) - resetting CG direction... - switching back to exact line minimization - large trace change predicted (0.200612%) + linmin: converged after 7 iterations. + iteration 50: trace = 4.163144137514846 (1.8107e-05% change) + linmin: converged after 5 iterations. + iteration 51: trace = 4.163143381759674 (1.81535e-05% change) + linmin: converged after 8 iterations. + iteration 52: trace = 4.163142623991929 (1.82018e-05% change) + linmin: converged after 9 iterations. + iteration 53: trace = 4.163141864130939 (1.82521e-05% change) + linmin: converged after 5 iterations. + iteration 54: trace = 4.163141102094985 (1.83043e-05% change) + linmin: converged after 11 iterations. + iteration 55: trace = 4.163140337801628 (1.83586e-05% change) + linmin: converged after 11 iterations. + iteration 56: trace = 4.163139571167647 (1.84148e-05% change) + linmin: converged after 12 iterations. + iteration 57: trace = 4.163138802109344 (1.8473e-05% change) + linmin: converged after 9 iterations. + iteration 58: trace = 4.163138030542482 (1.85333e-05% change) + linmin: converged after 6 iterations. + iteration 59: trace = 4.16313725638252 (1.85956e-05% change) + linmin: converged after 17 iterations. + iteration 60: trace = 4.163136479544573 (1.86599e-05% change) + linmin: converged after 4 iterations. + iteration 61: trace = 4.163135699943616 (1.87263e-05% change) + linmin: converged after 10 iterations. + iteration 62: trace = 4.163134917494516 (1.87947e-05% change) + linmin: converged after 10 iterations. + iteration 63: trace = 4.163134132112027 (1.88652e-05% change) + linmin: converged after 8 iterations. + iteration 64: trace = 4.163133343710971 (1.89377e-05% change) + linmin: converged after 7 iterations. + iteration 65: trace = 4.163132552206249 (1.90122e-05% change) linmin: converged after 3 iterations. - iteration 70: trace = 4.154754658417025 (0.201364% change) + iteration 66: trace = 4.16313175751296 (1.90888e-05% change) + linmin: converged after 6 iterations. + iteration 67: trace = 4.163130959546328 (1.91675e-05% change) + linmin: converged after 5 iterations. + iteration 68: trace = 4.163130158221916 (1.92481e-05% change) linmin: converged after 4 iterations. - iteration 71: trace = 4.151731269604584 (0.0727959% change) + iteration 69: trace = 4.163129353455564 (1.93308e-05% change) + resetting CG direction... + large trace change predicted (0.200481%) linmin: converged after 4 iterations. - iteration 72: trace = 4.150328240387421 (0.0337995% change) - linmin: converged after 3 iterations. - iteration 73: trace = 4.14956486373791 (0.0183949% change) + iteration 70: trace = 4.154754245510407 (0.201376% change) linmin: converged after 4 iterations. - iteration 74: trace = 4.149045718210945 (0.0125116% change) - linmin: converged after 5 iterations. - iteration 75: trace = 4.148541212773002 (0.0121603% change) - linmin: converged after 3 iterations. - iteration 76: trace = 4.147913444774686 (0.0151334% change) + iteration 71: trace = 4.15173076788249 (0.072798% change) linmin: converged after 4 iterations. - iteration 77: trace = 4.146963677401492 (0.0229001% change) + iteration 72: trace = 4.150327717100708 (0.0338001% change) + linmin: converged after 3 iterations. + iteration 73: trace = 4.149564335379193 (0.018395% change) + linmin: converged after 5 iterations. + iteration 74: trace = 4.149045201641229 (0.0125113% change) + linmin: converged after 7 iterations. + iteration 75: trace = 4.148540725452632 (0.0121596% change) linmin: converged after 4 iterations. - iteration 78: trace = 4.14541984175998 (0.037235% change) + iteration 76: trace = 4.147913016108395 (0.015132% change) + linmin: converged after 5 iterations. + iteration 77: trace = 4.146963344459174 (0.0228978% change) + linmin: converged after 5 iterations. + iteration 78: trace = 4.145419666151612 (0.0372312% change) linmin: converged after 5 iterations. - iteration 79: trace = 4.143768480251383 (0.0398437% change) + iteration 79: trace = 4.143768429829017 (0.0398407% change) linmin: converged after 4 iterations. - iteration 80: trace = 4.142813635908667 (0.0230456% change) - linmin: converged after 3 iterations. - iteration 81: trace = 4.142427722036522 (0.00931569% change) + iteration 80: trace = 4.14281362387139 (0.0230446% change) + linmin: converged after 4 iterations. + iteration 81: trace = 4.142427720615804 (0.00931544% change) linmin: converged after 3 iterations. - iteration 82: trace = 4.142309329185445 (0.0028581% change) + iteration 82: trace = 4.142309327545611 (0.0028581% change) linmin: converged after 3 iterations. - iteration 83: trace = 4.142270293234598 (0.000942376% change) + iteration 83: trace = 4.142270291880828 (0.000942369% change) linmin: converged after 3 iterations. - iteration 84: trace = 4.142259229660712 (0.00026709% change) - linmin: converged after 4 iterations. - iteration 85: trace = 4.142254099857186 (0.000123841% change) + iteration 84: trace = 4.142259228294336 (0.00026709% change) linmin: converged after 4 iterations. - iteration 86: trace = 4.14225182676353 (5.48758e-05% change) + iteration 85: trace = 4.142254098503172 (0.00012384% change) linmin: converged after 4 iterations. - iteration 87: trace = 4.142250855730689 (2.34422e-05% change) - linmin: converged after 2 iterations. - iteration 88: trace = 4.142250459356503 (9.56905e-06% change) + iteration 86: trace = 4.14225182546923 (5.48743e-05% change) linmin: converged after 5 iterations. - iteration 89: trace = 4.142250017004796 (1.0679e-05% change) - linmin: converged after 6 iterations. - iteration 90: trace = 4.142249200470664 (1.97123e-05% change) + iteration 87: trace = 4.142250854513584 (2.34403e-05% change) + linmin: converged after 2 iterations. + iteration 88: trace = 4.14225045821334 (9.56727e-06% change) linmin: converged after 5 iterations. - iteration 91: trace = 4.142248059937437 (2.75342e-05% change) + iteration 89: trace = 4.142250015988236 (1.0676e-05% change) + linmin: converged after 4 iterations. + iteration 90: trace = 4.142249199717005 (1.9706e-05% change) linmin: converged after 5 iterations. - iteration 92: trace = 4.142246315297768 (4.21182e-05% change) + iteration 91: trace = 4.142248059500087 (2.75265e-05% change) + linmin: converged after 6 iterations. + iteration 92: trace = 4.142246315184003 (4.21104e-05% change) linmin: converged after 5 iterations. - iteration 93: trace = 4.142245417605519 (2.16716e-05% change) - linmin: converged after 3 iterations. - iteration 94: trace = 4.142245181167817 (5.70796e-06% change) + iteration 93: trace = 4.142245417573851 (2.16696e-05% change) + linmin: converged after 4 iterations. + iteration 94: trace = 4.142245181152836 (5.70756e-06% change) + linmin: converged after 7 iterations. + iteration 95: trace = 4.142245107963932 (1.76689e-06% change) linmin: converged after 2 iterations. - iteration 95: trace = 4.142245107972046 (1.76706e-06% change) + iteration 96: trace = 4.142245088102365 (4.79488e-07% change) linmin: converged after 2 iterations. - iteration 96: trace = 4.142245088107263 (4.79566e-07% change) + iteration 97: trace = 4.142245076893739 (2.70593e-07% change) linmin: converged after 2 iterations. - iteration 97: trace = 4.1422450768963 (2.70649e-07% change) + iteration 98: trace = 4.142245071669429 (1.26123e-07% change) + linmin: converged after 18 iterations. + iteration 99: trace = 4.14224506975574 (4.61993e-08% change) linmin: converged after 2 iterations. - iteration 98: trace = 4.142245071671102 (1.26144e-07% change) - linmin: converged after 4 iterations. - iteration 99: trace = 4.142245069757145 (4.62058e-08% change) + iteration 100: trace = 4.142245069000498 (1.82327e-08% change) linmin: converged after 2 iterations. - iteration 100: trace = 4.142245069001788 (1.82354e-08% change) + iteration 101: trace = 4.142245068687292 (7.56125e-09% change) linmin: converged after 2 iterations. - iteration 101: trace = 4.142245068688526 (7.56262e-09% change) + iteration 102: trace = 4.142245068426465 (6.29675e-09% change) linmin: converged after 2 iterations. - iteration 102: trace = 4.1422450684276 (6.29913e-09% change) - linmin: converged after 3 iterations. - iteration 103: trace = 4.142245068026302 (9.68795e-09% change) + iteration 103: trace = 4.142245068025394 (9.68246e-09% change) linmin: converged after 2 iterations. - iteration 104: trace = 4.142245067242191 (1.89296e-08% change) + iteration 104: trace = 4.142245067241641 (1.8921e-08% change) linmin: converged after 2 iterations. - iteration 105: trace = 4.142245066287717 (2.30424e-08% change) - linmin: converged after 19 iterations. - iteration 106: trace = 4.142245065572606 (1.72639e-08% change) + iteration 105: trace = 4.142245066287526 (2.30338e-08% change) linmin: converged after 2 iterations. - iteration 107: trace = 4.14224506525974 (7.55306e-09% change) + iteration 106: trace = 4.142245065572538 (1.72609e-08% change) linmin: converged after 2 iterations. - iteration 108: trace = 4.142245065162634 (2.34427e-09% change) + iteration 107: trace = 4.142245065259723 (7.55184e-09% change) linmin: converged after 4 iterations. - iteration 109: trace = 4.142245065142538 (4.85167e-10% change) + iteration 108: trace = 4.142245065162617 (2.34427e-09% change) linmin: converged after 2 iterations. - iteration 110: trace = 4.142245065136626 (1.42718e-10% change) + iteration 109: trace = 4.142245065142509 (4.85446e-10% change) linmin: converged after 3 iterations. - iteration 111: trace = 4.142245065134211 (5.83007e-11% change) + iteration 110: trace = 4.142245065136625 (1.42053e-10% change) + linmin: converged after 3 iterations. + iteration 111: trace = 4.142245065134212 (5.82578e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 1.0437777042388916 -zparity:, 8, 0.9982486290502234, -0.9895791223067464, -0.9942480254111825, -0.9858374395420105 -yparity:, 8, -0.9998633636229571, 1.0000002772664356, -1.00000949461967, -0.9998446078239382 +elapsed time for k point: 3.398040533065796 +zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168 +yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. - iteration 1: trace = 4.665766465874785 (0.565815% change) + iteration 1: trace = 4.66576646587618 (0.565815% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.659489395826571 (0.134625% change) + iteration 2: trace = 4.659489395826913 (0.134625% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.658891363438777 (0.0128355% change) + iteration 3: trace = 4.65889136343898 (0.0128355% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.658710963539824 (0.00387224% change) + iteration 4: trace = 4.658710963539905 (0.00387224% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.658687038855414 (0.000513549% change) + iteration 5: trace = 4.658687038855449 (0.000513549% change) linmin: converged after 5 iterations. - iteration 6: trace = 4.658683256679787 (8.11855e-05% change) + iteration 6: trace = 4.658683256679821 (8.11855e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.658682393128439 (1.85364e-05% change) + iteration 7: trace = 4.658682393128453 (1.85364e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.658682225170738 (3.60526e-06% change) - linmin: converged after 3 iterations. - iteration 9: trace = 4.658682176904258 (1.03605e-06% change) - linmin: converged after 4 iterations. - iteration 10: trace = 4.658682160894769 (3.43648e-07% change) - linmin: converged after 3 iterations. - iteration 11: trace = 4.658682157650999 (6.96285e-08% change) + iteration 8: trace = 4.658682225170777 (3.60526e-06% change) + linmin: converged after 9 iterations. + iteration 9: trace = 4.658682176904296 (1.03605e-06% change) + linmin: converged after 25 iterations. + iteration 10: trace = 4.658682160894794 (3.43649e-07% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.658682156823346 (1.77658e-08% change) + iteration 11: trace = 4.658682157651022 (6.96285e-08% change) + linmin: converged after 17 iterations. + iteration 12: trace = 4.658682156823374 (1.77657e-08% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.65868215662481 (4.26164e-09% change) - linmin: converged after 3 iterations. - iteration 14: trace = 4.658682156534671 (1.93485e-09% change) + iteration 13: trace = 4.658682156624822 (4.26196e-09% change) linmin: converged after 2 iterations. - iteration 15: trace = 4.658682156472839 (1.32725e-09% change) - linmin: converged after 3 iterations. - iteration 16: trace = 4.658682156406841 (1.41666e-09% change) - linmin: converged after 11 iterations. - iteration 17: trace = 4.658682156300639 (2.27966e-09% change) + iteration 14: trace = 4.658682156534677 (1.93498e-09% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.658682156170642 (2.79041e-09% change) - linmin: converged after 4 iterations. - iteration 19: trace = 4.658682156060237 (2.3699e-09% change) - linmin: converged after 6 iterations. - iteration 20: trace = 4.658682156016944 (9.29286e-10% change) + iteration 15: trace = 4.65868215647283 (1.32757e-09% change) + linmin: converged after 2 iterations. + iteration 16: trace = 4.658682156406849 (1.4163e-09% change) + linmin: converged after 12 iterations. + iteration 17: trace = 4.658682156300642 (2.27978e-09% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.658682156170636 (2.7906e-09% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.658682156004982 (2.56768e-10% change) + iteration 19: trace = 4.65868215606024 (2.36969e-09% change) + linmin: converged after 9 iterations. + iteration 20: trace = 4.658682156016951 (9.2921e-10% change) linmin: converged after 7 iterations. - iteration 22: trace = 4.658682156001957 (6.49354e-11% change) + iteration 21: trace = 4.658682156004993 (2.56691e-10% change) + linmin: converged after 9 iterations. + iteration 22: trace = 4.658682156001969 (6.48973e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 -elapsed time for k point: 0.12503480911254883 -zparity:, 9, 0.9987530861905011, -0.9924225574132043, -0.9954159207906835, -0.9908510257229064 -yparity:, 9, -0.9998459146893178, 1.0000015100368072, -1.0000160082783154, -0.99984096711267 +elapsed time for k point: 1.154212474822998 +zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977 +yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. - iteration 1: trace = 5.231306463684273 (0.398399% change) + iteration 1: trace = 5.231306463684409 (0.398399% change) linmin: converged after 4 iterations. - iteration 2: trace = 5.226476483996151 (0.092371% change) + iteration 2: trace = 5.22647648399617 (0.092371% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.225996832030682 (0.00917777% change) + iteration 3: trace = 5.22599683203071 (0.00917777% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.225846177241142 (0.00288284% change) + iteration 4: trace = 5.225846177241165 (0.00288284% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.225825962252774 (0.000386828% change) + iteration 5: trace = 5.225825962252779 (0.000386828% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.225822836954247 (5.98049e-05% change) + iteration 6: trace = 5.225822836954253 (5.98049e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 5.22582213202447 (1.34894e-05% change) + iteration 7: trace = 5.225822132024463 (1.34894e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 5.225821997941997 (2.56577e-06% change) + iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 5.225821960503548 (7.16413e-07% change) - linmin: converged after 6 iterations. - iteration 10: trace = 5.225821946532255 (2.67351e-07% change) - linmin: converged after 4 iterations. - iteration 11: trace = 5.225821943078978 (6.6081e-08% change) + iteration 9: trace = 5.225821960503557 (7.16412e-07% change) + linmin: converged after 3 iterations. + iteration 10: trace = 5.225821946532268 (2.67351e-07% change) + linmin: converged after 3 iterations. + iteration 11: trace = 5.225821943078974 (6.60813e-08% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.22582194212544 (1.82467e-08% change) + iteration 12: trace = 5.225821942125431 (1.82468e-08% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.225821941909174 (4.1384e-09% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.225821941839992 (1.32387e-09% change) + iteration 13: trace = 5.225821941909173 (4.13826e-09% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.225821941820718 (3.68812e-10% change) - linmin: converged after 9 iterations. - iteration 16: trace = 5.225821941816024 (8.98236e-11% change) + iteration 14: trace = 5.22582194183999 (1.32387e-09% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.22582194182071 (3.68931e-10% change) + linmin: converged after 7 iterations. + iteration 16: trace = 5.225821941816028 (8.96027e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 -elapsed time for k point: 0.13878321647644043 -zparity:, 10, 0.9990584518844128, -0.9941385054596761, -0.9961444762112307, -0.9934909746544959 -yparity:, 10, -0.9998332718977193, 1.0000025246212403, -1.000023092333591, -0.9998348121388908 +elapsed time for k point: 0.41605424880981445 +zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547 +yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. - iteration 1: trace = 5.849410752654954 (0.287035% change) + iteration 1: trace = 5.849410752654945 (0.287035% change) linmin: converged after 4 iterations. - iteration 2: trace = 5.845548946596228 (0.0660422% change) + iteration 2: trace = 5.845548946596236 (0.0660422% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.845128893013054 (0.00718613% change) + iteration 3: trace = 5.845128893013058 (0.00718613% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.844992170146362 (0.00233912% change) + iteration 4: trace = 5.844992170146363 (0.00233912% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.84497398445039 (0.000311133% change) + iteration 5: trace = 5.844973984450399 (0.000311133% change) linmin: converged after 2 iterations. - iteration 6: trace = 5.844971151658918 (4.84654e-05% change) + iteration 6: trace = 5.84497115165891 (4.84654e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 5.844970494856538 (1.12371e-05% change) + iteration 7: trace = 5.844970494856531 (1.12371e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 5.844970368036916 (2.16972e-06% change) + iteration 8: trace = 5.844970368036914 (2.16972e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 5.844970331184177 (6.30503e-07% change) + iteration 9: trace = 5.844970331184173 (6.30503e-07% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.844970316460047 (2.51911e-07% change) + iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 5.844970312633015 (6.54757e-08% change) + iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.844970311596865 (1.77272e-08% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.844970311355162 (4.13522e-09% change) - linmin: converged after 2 iterations. - iteration 14: trace = 5.844970311278128 (1.31796e-09% change) + iteration 12: trace = 5.844970311596864 (1.77272e-08% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.844970311258019 (3.44028e-10% change) + iteration 13: trace = 5.844970311355159 (4.13527e-09% change) + linmin: converged after 2 iterations. + iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.844970311253997 (6.88209e-11% change) + iteration 15: trace = 5.84497031125801 (3.44256e-10% change) + linmin: converged after 4 iterations. + iteration 16: trace = 5.844970311254003 (6.85626e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 -Felapsed time for k point: 0.19103789329528809 -zparity:, 11, 0.9992573509363801, -0.9952507980579969, -0.9966396089669386, -0.9950905165813094 -yparity:, 11, -0.9998264814151204, 1.0000033584035082, -1.0000301573652741, -0.9998331550674879 -Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106422 at Vector3<3.0, 0.0, 0.0> -Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904508 at Vector3<3.0, 0.0, 0.0> +Felapsed time for k point: 0.7435569763183594 +zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846 +yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042 +Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0> +Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> -Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.351049775820151 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 4.356157064437866 +Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0> +total elapsed time for run: 12.482426404953003 done -/tmp/meepFBAM2J/test_strip-0: 4.36s +/tmp/meepYM7cP9/test_strip-0: 12.49s -/tmp/meepFBAM2J/test_subpixel_averaging-0 +/tmp/meepYM7cP9/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89284,7 +89308,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0025124549865722656 +elapsed time for initialization: 0.003364086151123047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -89395,7 +89419,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2118213176727295 +elapsed time for k point: 0.8360340595245361 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89646,7 +89670,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.8179986476898193 +elapsed time for k point: 1.8395707607269287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89703,7 +89727,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.18744277954101562 +elapsed time for k point: 0.30002379417419434 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89756,7 +89780,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.1491684913635254 +elapsed time for k point: 0.36132001876831055 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89817,7 +89841,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.20983123779296875 +elapsed time for k point: 0.5925650596618652 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89910,7 +89934,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.3694949150085449 +elapsed time for k point: 0.6620538234710693 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89981,7 +90005,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.20992422103881836 +elapsed time for k point: 0.5849931240081787 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90042,7 +90066,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.18007588386535645 +elapsed time for k point: 0.7784445285797119 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90095,7 +90119,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1480851173400879 +elapsed time for k point: 0.5594537258148193 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90147,7 +90171,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.9407069683074951 +elapsed time for k point: 0.5011022090911865 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90199,7 +90223,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.19335079193115234 +elapsed time for k point: 0.6281528472900391 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90240,7 +90264,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.29945969581604004 +elapsed time for k point: 0.48272109031677246 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90287,7 +90311,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.2807784080505371 +elapsed time for k point: 0.3327469825744629 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90350,7 +90374,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.18287348747253418 +elapsed time for k point: 0.6475138664245605 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90423,7 +90447,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2438652515411377 +elapsed time for k point: 0.7548840045928955 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90618,7 +90642,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.7486963272094727 +elapsed time for k point: 1.2613897323608398 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -90630,13 +90654,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 5.378259658813477 +total elapsed time for run: 11.133425235748291 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepFBAM2J/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepFBAM2J/test_subpixel_averaging-0: 5.40s +.Outputting /tmp/meepYM7cP9/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepYM7cP9/test_subpixel_averaging-0: 11.19s -/tmp/meepFBAM2J/test_symmetry_overlap-0 +/tmp/meepYM7cP9/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90664,7 +90688,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.08370161056518555 +elapsed time for initialization: 0.2375195026397705 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... @@ -90725,8 +90749,8 @@ iteration 27: trace = 2.04033564540094 (3.53907e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 -elapsed time for k point: 5.6888322830200195 -total elapsed time for run: 5.772698402404785 +elapsed time for k point: 26.753764152526855 +total elapsed time for run: 26.991519927978516 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90753,7 +90777,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.15587925910949707 +elapsed time for initialization: 0.12117457389831543 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... @@ -90936,8 +90960,8 @@ iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 -elapsed time for k point: 12.821642637252808 -total elapsed time for run: 12.977707624435425 +elapsed time for k point: 58.13890218734741 +total elapsed time for run: 58.26033115386963 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90964,7 +90988,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.05382585525512695 +elapsed time for initialization: 0.25961947441101074 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... @@ -91033,12 +91057,12 @@ iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 -.elapsed time for k point: 5.146535158157349 -total elapsed time for run: 5.200517892837524 +.elapsed time for k point: 20.270532369613647 +total elapsed time for run: 20.530481100082397 done -/tmp/meepFBAM2J/test_symmetry_overlap-0: 24.62s +/tmp/meepYM7cP9/test_symmetry_overlap-0: 107.84s -/tmp/meepFBAM2J/test_tri_holes-0 +/tmp/meepYM7cP9/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91081,7 +91105,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0026199817657470703 +elapsed time for initialization: 0.007027864456176758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -91091,1351 +91115,1351 @@ linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.044755956652262 (15.3464% change) + iteration 3: trace = 5.044755956652264 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.648502384223164 (2.35306% change) + iteration 5: trace = 4.648502384223161 (2.35306% change) linmin: converged after 5 iterations. - iteration 6: trace = 4.573735188935823 (1.62145% change) - linmin: converged after 6 iterations. - iteration 7: trace = 4.525096086376153 (1.06913% change) + iteration 6: trace = 4.573735188935817 (1.62145% change) linmin: converged after 7 iterations. - iteration 8: trace = 4.490878663187869 (0.75904% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.47197267315708 (0.421874% change) + iteration 7: trace = 4.525096086376154 (1.06913% change) + linmin: converged after 7 iterations. + iteration 8: trace = 4.490878663187896 (0.75904% change) + linmin: converged after 9 iterations. + iteration 9: trace = 4.471972673158289 (0.421874% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.463100096503293 (0.198601% change) + iteration 10: trace = 4.463100096502802 (0.198601% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.457774835855008 (0.119389% change) + iteration 11: trace = 4.457774835855679 (0.119389% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.455553733636341 (0.0498378% change) + iteration 12: trace = 4.455553733636298 (0.0498378% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.454264949858748 (0.0289295% change) + iteration 13: trace = 4.454264949858802 (0.0289295% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.453628568036779 (0.014288% change) + iteration 14: trace = 4.45362856803677 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.453169254637669 (0.00276361% change) + iteration 16: trace = 4.453169254637681 (0.00276361% change) linmin: converged after 4 iterations. - iteration 17: trace = 4.453124198333837 (0.00101179% change) - linmin: converged after 5 iterations. - iteration 18: trace = 4.453097708544555 (0.00059486% change) + iteration 17: trace = 4.45312419833384 (0.00101179% change) + linmin: converged after 4 iterations. + iteration 18: trace = 4.453097708544562 (0.00059486% change) linmin: converged after 5 iterations. - iteration 19: trace = 4.453064686036334 (0.000741565% change) + iteration 19: trace = 4.453064686036353 (0.000741565% change) large trace change predicted (0.00167871%) - linmin: converged after 5 iterations. - iteration 20: trace = 4.452989908418395 (0.00167925% change) + linmin: converged after 8 iterations. + iteration 20: trace = 4.452989908418393 (0.00167925% change) large trace change predicted (0.00355348%) + linmin: converged after 11 iterations. + iteration 21: trace = 4.452831698851194 (0.00355295% change) linmin: converged after 5 iterations. - iteration 21: trace = 4.452831698844784 (0.00355295% change) - linmin: converged after 4 iterations. - iteration 22: trace = 4.452615931157512 (0.00484575% change) + iteration 22: trace = 4.452615931161866 (0.00484575% change) linmin: converged after 5 iterations. - iteration 23: trace = 4.452445091453891 (0.00383691% change) + iteration 23: trace = 4.452445091443117 (0.00383691% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.452296186462635 (0.0033444% change) + iteration 24: trace = 4.452296186459317 (0.0033444% change) linmin: converged after 5 iterations. - iteration 25: trace = 4.452144807934248 (0.00340007% change) + iteration 25: trace = 4.45214480792432 (0.00340007% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.452028010938923 (0.00262342% change) + iteration 26: trace = 4.452028010939461 (0.00262342% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.451974702503806 (0.0011974% change) + iteration 27: trace = 4.451974702506442 (0.0011974% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.451958340675585 (0.000367519% change) + iteration 28: trace = 4.451958340678137 (0.000367519% change) linmin: converged after 4 iterations. - iteration 29: trace = 4.451953421809178 (0.000110488% change) + iteration 29: trace = 4.451953421811336 (0.000110488% change) linmin: converged after 4 iterations. - iteration 30: trace = 4.451951355107944 (4.64224e-05% change) + iteration 30: trace = 4.451951355109325 (4.64224e-05% change) linmin: converged after 5 iterations. - iteration 31: trace = 4.451950388858661 (2.1704e-05% change) - linmin: converged after 6 iterations. - iteration 32: trace = 4.451949935124787 (1.01918e-05% change) - linmin: converged after 17 iterations. - iteration 33: trace = 4.451949721654948 (4.79497e-06% change) - linmin: converged after 2 iterations. - iteration 34: trace = 4.451949638044333 (1.87807e-06% change) - linmin: converged after 10 iterations. - iteration 35: trace = 4.451949603091121 (7.85121e-07% change) - linmin: converged after 3 iterations. - iteration 36: trace = 4.451949587125339 (3.58624e-07% change) + iteration 31: trace = 4.451950388859546 (2.1704e-05% change) linmin: converged after 4 iterations. - iteration 37: trace = 4.451949578414736 (1.95658e-07% change) - linmin: converged after 3 iterations. - iteration 38: trace = 4.451949573497765 (1.10445e-07% change) + iteration 32: trace = 4.451949935125477 (1.01918e-05% change) + linmin: converged after 14 iterations. + iteration 33: trace = 4.45194972165554 (4.79498e-06% change) linmin: converged after 2 iterations. - iteration 39: trace = 4.451949570787226 (6.08843e-08% change) + iteration 34: trace = 4.451949638045011 (1.87807e-06% change) linmin: converged after 4 iterations. - iteration 40: trace = 4.451949569043665 (3.9164e-08% change) + iteration 35: trace = 4.451949603091682 (7.85124e-07% change) + linmin: converged after 6 iterations. + iteration 36: trace = 4.451949587125897 (3.58625e-07% change) + linmin: converged after 4 iterations. + iteration 37: trace = 4.451949578415249 (1.95659e-07% change) + linmin: converged after 2 iterations. + iteration 38: trace = 4.451949573498261 (1.10446e-07% change) + linmin: converged after 2 iterations. + iteration 39: trace = 4.451949570787714 (6.08845e-08% change) + linmin: converged after 2 iterations. + iteration 40: trace = 4.451949569044144 (3.91642e-08% change) linmin: converged after 4 iterations. - iteration 41: trace = 4.451949566780623 (5.08326e-08% change) + iteration 41: trace = 4.451949566781069 (5.08333e-08% change) linmin: converged after 4 iterations. - iteration 42: trace = 4.451949562367886 (9.91192e-08% change) - large trace change predicted (2.08751e-07%) + iteration 42: trace = 4.451949562368261 (9.91208e-08% change) + large trace change predicted (2.08754e-07%) linmin: converged after 2 iterations. - iteration 43: trace = 4.451949553074408 (2.08751e-07% change) + iteration 43: trace = 4.451949553074643 (2.08754e-07% change) linmin: converged after 4 iterations. - iteration 44: trace = 4.451949540842983 (2.74743e-07% change) + iteration 44: trace = 4.451949540843133 (2.74745e-07% change) linmin: converged after 3 iterations. - iteration 45: trace = 4.451949529999652 (2.43564e-07% change) + iteration 45: trace = 4.451949529999723 (2.43565e-07% change) linmin: converged after 2 iterations. - iteration 46: trace = 4.451949523238097 (1.51879e-07% change) + iteration 46: trace = 4.451949523238113 (1.5188e-07% change) linmin: converged after 3 iterations. - iteration 47: trace = 4.451949519159004 (9.16249e-08% change) + iteration 47: trace = 4.451949519159018 (9.16249e-08% change) linmin: converged after 2 iterations. - iteration 48: trace = 4.451949516240804 (6.55488e-08% change) - linmin: converged after 4 iterations. - iteration 49: trace = 4.451949514432186 (4.06253e-08% change) - linmin: converged after 3 iterations. - iteration 50: trace = 4.451949513681802 (1.68552e-08% change) + iteration 48: trace = 4.451949516240802 (6.55492e-08% change) linmin: converged after 2 iterations. - iteration 51: trace = 4.451949513453069 (5.13781e-09% change) - linmin: converged after 4 iterations. - iteration 52: trace = 4.45194951339295 (1.3504e-09% change) - linmin: converged after 3 iterations. - iteration 53: trace = 4.451949513373063 (4.46708e-10% change) + iteration 49: trace = 4.451949514432187 (4.06252e-08% change) + linmin: converged after 11 iterations. + iteration 50: trace = 4.45194951368181 (1.6855e-08% change) linmin: converged after 4 iterations. - iteration 54: trace = 4.45194951336368 (2.10775e-10% change) + iteration 51: trace = 4.451949513453068 (5.13803e-09% change) + linmin: converged after 9 iterations. + iteration 52: trace = 4.451949513392954 (1.35028e-09% change) linmin: converged after 3 iterations. - iteration 55: trace = 4.45194951335844 (1.17687e-10% change) + iteration 53: trace = 4.451949513373073 (4.46568e-10% change) linmin: converged after 3 iterations. - iteration 56: trace = 4.4519495133559 (5.70579e-11% change) + iteration 54: trace = 4.451949513363684 (2.10895e-10% change) + linmin: converged after 5 iterations. + iteration 55: trace = 4.451949513358432 (1.17966e-10% change) + linmin: converged after 15 iterations. + iteration 56: trace = 4.451949513355893 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.28495264053344727 +elapsed time for k point: 0.8883669376373291 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.475944467088697 (0.531645% change) + iteration 1: trace = 4.475944467108932 (0.531645% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.47004955757308 (0.131789% change) + iteration 2: trace = 4.470049557613261 (0.131789% change) linmin: converged after 3 iterations. - iteration 3: trace = 4.468237947758968 (0.0405359% change) + iteration 3: trace = 4.468237947812556 (0.0405359% change) linmin: converged after 3 iterations. - iteration 4: trace = 4.46732914258891 (0.0203413% change) + iteration 4: trace = 4.467329142654912 (0.0203413% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.466696419394401 (0.0141643% change) + iteration 5: trace = 4.466696419469301 (0.0141643% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.466267349496484 (0.00960644% change) + iteration 6: trace = 4.46626734957484 (0.00960644% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.465882292011072 (0.00862183% change) + iteration 7: trace = 4.465882292089019 (0.00862183% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.465603095566394 (0.00625196% change) + iteration 8: trace = 4.465603095642135 (0.00625196% change) linmin: converged after 3 iterations. - iteration 9: trace = 4.465254970894671 (0.007796% change) + iteration 9: trace = 4.465254970967649 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. - iteration 10: trace = 4.464548380057723 (0.0158255% change) + iteration 10: trace = 4.464548380125286 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. - iteration 11: trace = 4.462859568828668 (0.0378343% change) - linmin: converged after 7 iterations. - iteration 12: trace = 4.460811970282606 (0.0458914% change) - linmin: converged after 5 iterations. - iteration 13: trace = 4.459584283475678 (0.0275254% change) + iteration 11: trace = 4.462859568880448 (0.0378343% change) + linmin: converged after 6 iterations. + iteration 12: trace = 4.460811970312608 (0.0458914% change) + linmin: converged after 6 iterations. + iteration 13: trace = 4.459584283500496 (0.0275254% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.459118661361837 (0.0104415% change) + iteration 14: trace = 4.459118661375987 (0.0104415% change) linmin: converged after 3 iterations. - iteration 15: trace = 4.458964421196186 (0.00345904% change) + iteration 15: trace = 4.458964421206439 (0.00345904% change) linmin: converged after 3 iterations. - iteration 16: trace = 4.458929960311353 (0.000772848% change) + iteration 16: trace = 4.458929960321749 (0.000772848% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.458912092714899 (0.000400716% change) + iteration 17: trace = 4.458912092725232 (0.000400716% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.458904032321756 (0.000180771% change) + iteration 18: trace = 4.458904032331692 (0.000180771% change) linmin: converged after 3 iterations. - iteration 19: trace = 4.458899161063318 (0.000109248% change) + iteration 19: trace = 4.458899161072777 (0.000109248% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.458897017333146 (4.80776e-05% change) - linmin: converged after 5 iterations. - iteration 21: trace = 4.458895960737981 (2.36963e-05% change) - linmin: converged after 6 iterations. - iteration 22: trace = 4.458895419236236 (1.21443e-05% change) + iteration 20: trace = 4.45889701734218 (4.80776e-05% change) linmin: converged after 6 iterations. - iteration 23: trace = 4.458895086269089 (7.46748e-06% change) + iteration 21: trace = 4.458895960746618 (2.36963e-05% change) + linmin: converged after 4 iterations. + iteration 22: trace = 4.458895419244479 (1.21443e-05% change) linmin: converged after 5 iterations. - iteration 24: trace = 4.458894672862503 (9.2715e-06% change) + iteration 23: trace = 4.45889508627689 (7.46749e-06% change) linmin: converged after 6 iterations. - iteration 25: trace = 4.458893966773802 (1.58355e-05% change) + iteration 24: trace = 4.458894672869514 (9.27152e-06% change) linmin: converged after 5 iterations. - iteration 26: trace = 4.458892812030476 (2.58975e-05% change) + iteration 25: trace = 4.458893966779284 (1.58355e-05% change) + linmin: converged after 6 iterations. + iteration 26: trace = 4.458892812033712 (2.58976e-05% change) + linmin: converged after 6 iterations. + iteration 27: trace = 4.458891509286135 (2.92168e-05% change) linmin: converged after 5 iterations. - iteration 27: trace = 4.458891509284777 (2.92168e-05% change) + iteration 28: trace = 4.458890473613544 (2.32271e-05% change) linmin: converged after 5 iterations. - iteration 28: trace = 4.458890473613134 (2.32271e-05% change) + iteration 29: trace = 4.458889874545141 (1.34354e-05% change) linmin: converged after 6 iterations. - iteration 29: trace = 4.458889874545046 (1.34354e-05% change) - linmin: converged after 4 iterations. - iteration 30: trace = 4.458889622685373 (5.64848e-06% change) + iteration 30: trace = 4.458889622685401 (5.64849e-06% change) linmin: converged after 2 iterations. - iteration 31: trace = 4.458889526435792 (2.1586e-06% change) + iteration 31: trace = 4.458889526435814 (2.1586e-06% change) + linmin: converged after 16 iterations. + iteration 32: trace = 4.458889488492766 (8.50953e-07% change) linmin: converged after 3 iterations. - iteration 32: trace = 4.458889488492753 (8.50953e-07% change) + iteration 33: trace = 4.458889473720185 (3.31306e-07% change) + linmin: converged after 22 iterations. + iteration 34: trace = 4.458889468163909 (1.24611e-07% change) linmin: converged after 4 iterations. - iteration 33: trace = 4.458889473720157 (3.31307e-07% change) - linmin: converged after 20 iterations. - iteration 34: trace = 4.458889468163889 (1.24611e-07% change) - linmin: converged after 23 iterations. - iteration 35: trace = 4.458889466116732 (4.59118e-08% change) - linmin: converged after 15 iterations. - iteration 36: trace = 4.458889465242262 (1.96118e-08% change) - linmin: converged after 19 iterations. - iteration 37: trace = 4.458889464752221 (1.09902e-08% change) - linmin: converged after 2 iterations. - iteration 38: trace = 4.458889464463179 (6.48237e-09% change) - linmin: converged after 6 iterations. - iteration 39: trace = 4.458889464280353 (4.10026e-09% change) - linmin: converged after 9 iterations. - iteration 40: trace = 4.458889464100627 (4.03072e-09% change) - linmin: converged after 7 iterations. - iteration 41: trace = 4.458889463833423 (5.99261e-09% change) + iteration 35: trace = 4.458889466116761 (4.59116e-08% change) + linmin: converged after 12 iterations. + iteration 36: trace = 4.458889465242297 (1.96117e-08% change) linmin: converged after 4 iterations. - iteration 42: trace = 4.458889463451229 (8.57152e-09% change) - linmin: converged after 2 iterations. - iteration 43: trace = 4.458889462992351 (1.02913e-08% change) + iteration 37: trace = 4.458889464752254 (1.09903e-08% change) + linmin: converged after 18 iterations. + iteration 38: trace = 4.458889464463208 (6.48245e-09% change) linmin: converged after 3 iterations. - iteration 44: trace = 4.458889462497361 (1.11012e-08% change) - linmin: converged after 6 iterations. - iteration 45: trace = 4.458889462139589 (8.02378e-09% change) - linmin: converged after 5 iterations. - iteration 46: trace = 4.458889461932944 (4.63446e-09% change) - linmin: converged after 4 iterations. - iteration 47: trace = 4.458889461821264 (2.50465e-09% change) - linmin: converged after 6 iterations. - iteration 48: trace = 4.458889461773404 (1.07337e-09% change) + iteration 39: trace = 4.458889464280381 (4.10028e-09% change) + linmin: converged after 9 iterations. + iteration 40: trace = 4.458889464100642 (4.03102e-09% change) + linmin: converged after 12 iterations. + iteration 41: trace = 4.458889463833446 (5.99245e-09% change) + linmin: converged after 9 iterations. + iteration 42: trace = 4.458889463451237 (8.57182e-09% change) linmin: converged after 4 iterations. - iteration 49: trace = 4.458889461754984 (4.13106e-10% change) + iteration 43: trace = 4.458889462992349 (1.02916e-08% change) + linmin: converged after 10 iterations. + iteration 44: trace = 4.458889462497355 (1.11013e-08% change) + linmin: converged after 7 iterations. + iteration 45: trace = 4.458889462139591 (8.02362e-09% change) + linmin: converged after 5 iterations. + iteration 46: trace = 4.458889461932948 (4.6344e-09% change) linmin: converged after 3 iterations. - iteration 50: trace = 4.458889461749089 (1.32204e-10% change) + iteration 47: trace = 4.458889461821263 (2.50477e-09% change) + linmin: converged after 15 iterations. + iteration 48: trace = 4.458889461773397 (1.07349e-09% change) + linmin: converged after 4 iterations. + iteration 49: trace = 4.458889461754989 (4.12847e-10% change) linmin: converged after 3 iterations. - iteration 51: trace = 4.458889461747202 (4.23085e-11% change) + iteration 50: trace = 4.458889461749082 (1.32483e-10% change) + linmin: converged after 4 iterations. + iteration 51: trace = 4.458889461747205 (4.20894e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 -elapsed time for k point: 0.2926650047302246 +elapsed time for k point: 1.3952207565307617 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.492158134806156 (0.545791% change) + iteration 1: trace = 4.492158134810435 (0.545791% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.485756356465116 (0.142612% change) + iteration 2: trace = 4.485756356469138 (0.142612% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.483597723193555 (0.0481335% change) + iteration 3: trace = 4.483597723197324 (0.0481335% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.482688838957766 (0.0202734% change) + iteration 4: trace = 4.482688838961172 (0.0202734% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.482289052223098 (0.00891886% change) + iteration 5: trace = 4.482289052226116 (0.00891886% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.482111886539142 (0.00395265% change) + iteration 6: trace = 4.482111886541759 (0.00395265% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.481989042618848 (0.0027408% change) + iteration 7: trace = 4.481989042620977 (0.0027408% change) linmin: converged after 5 iterations. - iteration 8: trace = 4.481900761942839 (0.0019697% change) - linmin: converged after 4 iterations. - iteration 9: trace = 4.481819566982582 (0.00181164% change) - linmin: converged after 7 iterations. - iteration 10: trace = 4.481727172834765 (0.00206155% change) + iteration 8: trace = 4.481900761944479 (0.0019697% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.481640274020339 (0.00193898% change) + iteration 9: trace = 4.481819566983678 (0.00181164% change) + linmin: converged after 11 iterations. + iteration 10: trace = 4.481727172835286 (0.00206155% change) + linmin: converged after 5 iterations. + iteration 11: trace = 4.481640274020497 (0.00193898% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.481586984826237 (0.00118906% change) + iteration 12: trace = 4.481586984826245 (0.00118906% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.481566235482778 (0.000462992% change) + iteration 13: trace = 4.481566235482783 (0.000462992% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.481558614049644 (0.000170062% change) + iteration 14: trace = 4.481558614049639 (0.000170062% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.481555960259473 (5.92158e-05% change) + iteration 15: trace = 4.481555960259469 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) + linmin: converged after 4 iterations. + iteration 17: trace = 4.481554758617261 (7.96981e-06% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.481554758617264 (7.96981e-06% change) - linmin: converged after 3 iterations. - iteration 18: trace = 4.48155467543528 (1.8561e-06% change) - linmin: converged after 3 iterations. - iteration 19: trace = 4.481554649662217 (5.75092e-07% change) - linmin: converged after 3 iterations. - iteration 20: trace = 4.481554642967501 (1.49384e-07% change) - linmin: converged after 3 iterations. - iteration 21: trace = 4.481554640848132 (4.72909e-08% change) + iteration 18: trace = 4.481554675435285 (1.8561e-06% change) + linmin: converged after 2 iterations. + iteration 19: trace = 4.481554649662213 (5.75092e-07% change) + linmin: converged after 20 iterations. + iteration 20: trace = 4.481554642967496 (1.49384e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 4.48155464016311 (1.52854e-08% change) - linmin: converged after 14 iterations. - iteration 23: trace = 4.48155463985519 (6.87083e-09% change) - linmin: converged after 5 iterations. - iteration 24: trace = 4.48155463968686 (3.75607e-09% change) + iteration 21: trace = 4.481554640848132 (4.72908e-08% change) + linmin: converged after 26 iterations. + iteration 22: trace = 4.481554640163115 (1.52853e-08% change) + linmin: converged after 2 iterations. + iteration 23: trace = 4.481554639855192 (6.87089e-09% change) + linmin: converged after 2 iterations. + iteration 24: trace = 4.481554639686864 (3.75603e-09% change) linmin: converged after 7 iterations. - iteration 25: trace = 4.481554639614043 (1.62482e-09% change) - linmin: converged after 6 iterations. - iteration 26: trace = 4.481554639589961 (5.3736e-10% change) - linmin: converged after 9 iterations. - iteration 27: trace = 4.481554639582895 (1.57656e-10% change) + iteration 25: trace = 4.481554639614042 (1.62492e-09% change) + linmin: converged after 3 iterations. + iteration 26: trace = 4.481554639589966 (5.37221e-10% change) + linmin: converged after 4 iterations. + iteration 27: trace = 4.4815546395829 (1.57656e-10% change) linmin: converged after 3 iterations. - iteration 28: trace = 4.481554639580309 (5.77116e-11% change) + iteration 28: trace = 4.481554639580312 (5.77512e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 -elapsed time for k point: 0.22773528099060059 +elapsed time for k point: 0.42415904998779297 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.543019728981141 (0.515577% change) + iteration 1: trace = 4.543019728981382 (0.515577% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.537380948824073 (0.124197% change) + iteration 2: trace = 4.537380948824323 (0.124197% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.535410322886904 (0.0434403% change) + iteration 3: trace = 4.535410322887141 (0.0434403% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.534688093374218 (0.0159255% change) + iteration 4: trace = 4.534688093374426 (0.0159255% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.534407372581488 (0.00619071% change) + iteration 5: trace = 4.534407372581668 (0.00619071% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.534314483913888 (0.00204855% change) + iteration 6: trace = 4.534314483914038 (0.00204855% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.534272775349621 (0.000919847% change) + iteration 7: trace = 4.534272775349741 (0.000919847% change) linmin: converged after 5 iterations. - iteration 8: trace = 4.53425640839052 (0.000360962% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.534250296428466 (0.000134795% change) + iteration 8: trace = 4.534256408390616 (0.000360962% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.534247094429852 (7.06181e-05% change) + iteration 9: trace = 4.534250296428544 (0.000134795% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.534244850399098 (4.94907e-05% change) + iteration 10: trace = 4.534247094429912 (7.06181e-05% change) + linmin: converged after 6 iterations. + iteration 11: trace = 4.534244850399139 (4.94907e-05% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.534242751424718 (4.62916e-05% change) + iteration 12: trace = 4.534242751424729 (4.62916e-05% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.534241209054214 (3.40161e-05% change) - linmin: converged after 6 iterations. - iteration 14: trace = 4.534240295109202 (2.01565e-05% change) + iteration 13: trace = 4.534241209054217 (3.40161e-05% change) linmin: converged after 5 iterations. - iteration 15: trace = 4.534239883207022 (9.08426e-06% change) - linmin: converged after 4 iterations. - iteration 16: trace = 4.534239659653624 (4.93034e-06% change) - linmin: converged after 4 iterations. - iteration 17: trace = 4.534239494917881 (3.63315e-06% change) + iteration 14: trace = 4.534240295109208 (2.01565e-05% change) + linmin: converged after 5 iterations. + iteration 15: trace = 4.534239883207023 (9.08426e-06% change) + linmin: converged after 10 iterations. + iteration 16: trace = 4.53423965965363 (4.93034e-06% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.534239415265837 (1.75668e-06% change) - linmin: converged after 2 iterations. - iteration 19: trace = 4.534239379667364 (7.85104e-07% change) + iteration 17: trace = 4.534239494917928 (3.63315e-06% change) linmin: converged after 3 iterations. - iteration 20: trace = 4.534239370364455 (2.0517e-07% change) - linmin: converged after 12 iterations. - iteration 21: trace = 4.534239368024675 (5.16025e-08% change) - linmin: converged after 8 iterations. - iteration 22: trace = 4.534239367497577 (1.16248e-08% change) - linmin: converged after 5 iterations. - iteration 23: trace = 4.534239367336914 (3.54332e-09% change) - linmin: converged after 7 iterations. - iteration 24: trace = 4.534239367284076 (1.16532e-09% change) - linmin: converged after 4 iterations. - iteration 25: trace = 4.534239367267453 (3.66594e-10% change) + iteration 18: trace = 4.534239415265824 (1.75668e-06% change) + linmin: converged after 2 iterations. + iteration 19: trace = 4.534239379667379 (7.85103e-07% change) + linmin: converged after 2 iterations. + iteration 20: trace = 4.534239370364448 (2.05171e-07% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.53423936726149 (1.31516e-10% change) + iteration 21: trace = 4.534239368024672 (5.16024e-08% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.534239367259119 (5.23006e-11% change) + iteration 22: trace = 4.534239367497577 (1.16248e-08% change) + linmin: converged after 6 iterations. + iteration 23: trace = 4.534239367336919 (3.54322e-09% change) + linmin: converged after 10 iterations. + iteration 24: trace = 4.534239367284073 (1.16548e-09% change) + linmin: converged after 6 iterations. + iteration 25: trace = 4.534239367267453 (3.66535e-10% change) + linmin: converged after 7 iterations. + iteration 26: trace = 4.534239367261494 (1.31437e-10% change) + linmin: converged after 5 iterations. + iteration 27: trace = 4.534239367259114 (5.24769e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 -elapsed time for k point: 0.09688377380371094 +elapsed time for k point: 0.43570756912231445 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.62140499236056 (0.557147% change) + iteration 1: trace = 4.621404992370209 (0.557147% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.614041347471986 (0.159465% change) + iteration 2: trace = 4.614041347481714 (0.159465% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.610477696469292 (0.0772648% change) + iteration 3: trace = 4.610477696476134 (0.0772648% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.608710813616125 (0.0383306% change) + iteration 4: trace = 4.608710813620799 (0.0383306% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.60786323375084 (0.0183925% change) + iteration 5: trace = 4.607863233753939 (0.0183925% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.607531544207514 (0.0071986% change) + iteration 6: trace = 4.607531544209546 (0.0071986% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.607374227312677 (0.0034144% change) + iteration 7: trace = 4.607374227313989 (0.0034144% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.607318349687505 (0.00121279% change) + iteration 8: trace = 4.607318349688435 (0.00121279% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.607296971209914 (0.000464012% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.607286359307773 (0.000230328% change) + iteration 9: trace = 4.607296971210599 (0.000464012% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.607280058156617 (0.000136765% change) + iteration 10: trace = 4.607286359308265 (0.000230328% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.607276056851984 (8.68475e-05% change) - linmin: converged after 4 iterations. - iteration 13: trace = 4.607274338045175 (3.73064e-05% change) - linmin: converged after 2 iterations. - iteration 14: trace = 4.607273686828301 (1.41345e-05% change) + iteration 11: trace = 4.607280058156947 (0.000136765% change) + linmin: converged after 6 iterations. + iteration 12: trace = 4.607276056852193 (8.68475e-05% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.607274338045313 (3.73064e-05% change) + linmin: converged after 14 iterations. + iteration 14: trace = 4.607273686828396 (1.41345e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 4.607273491056451 (4.24919e-06% change) - linmin: converged after 27 iterations. - iteration 16: trace = 4.607273423326224 (1.47007e-06% change) + iteration 15: trace = 4.607273491056637 (4.24919e-06% change) + linmin: converged after 8 iterations. + iteration 16: trace = 4.607273423326331 (1.47007e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.607273396454783 (5.8324e-07% change) - linmin: converged after 4 iterations. - iteration 18: trace = 4.607273383999416 (2.70341e-07% change) + iteration 17: trace = 4.607273396454911 (5.83239e-07% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.607273383999481 (2.70343e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.607273373222213 (2.33917e-07% change) + iteration 19: trace = 4.607273373222249 (2.33918e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.607273363837909 (2.03685e-07% change) - linmin: converged after 3 iterations. - iteration 21: trace = 4.607273356409589 (1.6123e-07% change) - linmin: converged after 3 iterations. - iteration 22: trace = 4.607273352713706 (8.02185e-08% change) + iteration 20: trace = 4.607273363837924 (2.03685e-07% change) + linmin: converged after 4 iterations. + iteration 21: trace = 4.607273356409602 (1.6123e-07% change) + linmin: converged after 32 iterations. + iteration 22: trace = 4.607273352713722 (8.02184e-08% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.607273351035124 (3.64333e-08% change) + iteration 23: trace = 4.607273351035138 (3.64334e-08% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.607273350488977 (1.1854e-08% change) + iteration 24: trace = 4.607273350488992 (1.1854e-08% change) linmin: converged after 2 iterations. - iteration 25: trace = 4.607273350318335 (3.70376e-09% change) - linmin: converged after 3 iterations. - iteration 26: trace = 4.607273350261741 (1.22836e-09% change) + iteration 25: trace = 4.607273350318334 (3.7041e-09% change) linmin: converged after 3 iterations. - iteration 27: trace = 4.607273350235106 (5.78101e-10% change) - linmin: converged after 6 iterations. - iteration 28: trace = 4.607273350217992 (3.71463e-10% change) - linmin: converged after 3 iterations. - iteration 29: trace = 4.60727335020926 (1.8952e-10% change) + iteration 26: trace = 4.607273350261742 (1.2283e-09% change) + linmin: converged after 4 iterations. + iteration 27: trace = 4.607273350235109 (5.78082e-10% change) linmin: converged after 2 iterations. - iteration 30: trace = 4.607273350205851 (7.3988e-11% change) + iteration 28: trace = 4.607273350217994 (3.71463e-10% change) + linmin: converged after 4 iterations. + iteration 29: trace = 4.607273350209258 (1.89616e-10% change) + linmin: converged after 4 iterations. + iteration 30: trace = 4.607273350205852 (7.39302e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 -elapsed time for k point: 0.2724597454071045 +elapsed time for k point: 0.7350730895996094 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.692438286199994 (0.712878% change) + iteration 1: trace = 4.692438286161613 (0.712878% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.678587559271376 (0.295607% change) + iteration 2: trace = 4.678587559242676 (0.295607% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.669219826102063 (0.200426% change) + iteration 3: trace = 4.669219826084261 (0.200426% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.662995938258768 (0.133385% change) - linmin: converged after 4 iterations. - iteration 5: trace = 4.659382161777788 (0.0775291% change) + iteration 4: trace = 4.662995938248581 (0.133385% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.657411795586118 (0.0422971% change) + iteration 5: trace = 4.6593821617716 (0.0775291% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.656216146536611 (0.0256753% change) + iteration 6: trace = 4.657411795582307 (0.0422971% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.655574406992657 (0.0137834% change) + iteration 7: trace = 4.656216146534482 (0.0256753% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.65514846892051 (0.00914941% change) + iteration 8: trace = 4.655574406991427 (0.0137834% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.654836684042657 (0.00669786% change) + iteration 9: trace = 4.655148468919919 (0.00914941% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.65466529695931 (0.00368198% change) + iteration 10: trace = 4.654836684042397 (0.00669786% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.654604621969561 (0.00130354% change) + iteration 11: trace = 4.654665296959227 (0.00368198% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.654589608102693 (0.00032256% change) + iteration 12: trace = 4.654604621969535 (0.00130354% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.654585491988872 (8.84313e-05% change) + iteration 13: trace = 4.654589608102686 (0.00032256% change) + linmin: converged after 5 iterations. + iteration 14: trace = 4.654585491988867 (8.84313e-05% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.654584391756919 (2.36376e-05% change) - linmin: converged after 9 iterations. - iteration 16: trace = 4.654584007912178 (8.2466e-06% change) - linmin: converged after 16 iterations. - iteration 17: trace = 4.654583872099873 (2.91782e-06% change) + iteration 15: trace = 4.65458439175692 (2.36376e-05% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.654583818003333 (1.16222e-06% change) + iteration 16: trace = 4.654584007912184 (8.2466e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.654583786952179 (6.67109e-07% change) + iteration 17: trace = 4.654583872099502 (2.91783e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.654583768788808 (3.90225e-07% change) + iteration 18: trace = 4.654583818003206 (1.16222e-06% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.654583758229737 (2.26853e-07% change) + iteration 19: trace = 4.654583786952055 (6.67109e-07% change) + linmin: converged after 6 iterations. + iteration 20: trace = 4.65458376878888 (3.90221e-07% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.65458375413065 (8.80656e-08% change) + iteration 21: trace = 4.654583758229818 (2.26853e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.654583752195744 (4.15699e-08% change) - linmin: converged after 4 iterations. - iteration 24: trace = 4.654583750968559 (2.63651e-08% change) - linmin: converged after 23 iterations. - iteration 25: trace = 4.654583749955047 (2.17745e-08% change) + iteration 22: trace = 4.654583754130688 (8.80665e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 4.654583752195757 (4.15704e-08% change) + linmin: converged after 9 iterations. + iteration 24: trace = 4.654583750968563 (2.63653e-08% change) + linmin: converged after 21 iterations. + iteration 25: trace = 4.654583749955053 (2.17745e-08% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.654583749144852 (1.74064e-08% change) - linmin: converged after 13 iterations. - iteration 27: trace = 4.654583748504241 (1.3763e-08% change) + iteration 26: trace = 4.654583749144853 (1.74065e-08% change) + linmin: converged after 11 iterations. + iteration 27: trace = 4.654583748504248 (1.37629e-08% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.654583748161549 (7.36245e-09% change) - linmin: converged after 2 iterations. - iteration 29: trace = 4.654583748037946 (2.65552e-09% change) + iteration 28: trace = 4.65458374816155 (7.36258e-09% change) linmin: converged after 3 iterations. - iteration 30: trace = 4.654583747984042 (1.15807e-09% change) - linmin: converged after 6 iterations. - iteration 31: trace = 4.654583747952655 (6.74332e-10% change) - linmin: converged after 7 iterations. - iteration 32: trace = 4.654583747932773 (4.27146e-10% change) + iteration 29: trace = 4.654583748037949 (2.65546e-09% change) + linmin: converged after 4 iterations. + iteration 30: trace = 4.654583747984038 (1.15825e-09% change) + linmin: converged after 4 iterations. + iteration 31: trace = 4.654583747952652 (6.74294e-10% change) + linmin: converged after 4 iterations. + iteration 32: trace = 4.654583747932771 (4.27146e-10% change) + linmin: converged after 5 iterations. + iteration 33: trace = 4.654583747920531 (2.62947e-10% change) linmin: converged after 3 iterations. - iteration 33: trace = 4.65458374792053 (2.63043e-10% change) - linmin: converged after 2 iterations. - iteration 34: trace = 4.654583747914254 (1.34832e-10% change) + iteration 34: trace = 4.654583747914252 (1.34908e-10% change) linmin: converged after 4 iterations. - iteration 35: trace = 4.654583747911477 (5.96497e-11% change) + iteration 35: trace = 4.654583747911475 (5.96688e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 -elapsed time for k point: 0.12481927871704102 +elapsed time for k point: 0.722165584564209 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.663405538594805 (0.126187% change) + iteration 1: trace = 4.663405538594725 (0.126187% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.661028794314987 (0.0509788% change) + iteration 2: trace = 4.661028794315087 (0.0509788% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.659462455612483 (0.0336106% change) + iteration 3: trace = 4.659462455612632 (0.0336106% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.658444596655317 (0.0218474% change) + iteration 4: trace = 4.658444596655599 (0.0218474% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.658018186978972 (0.0091539% change) + iteration 5: trace = 4.658018186979143 (0.0091539% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.657889867112027 (0.00275485% change) + iteration 6: trace = 4.657889867112118 (0.00275485% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.657833401920406 (0.00121226% change) + iteration 7: trace = 4.657833401920476 (0.00121226% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.657812047553676 (0.000458462% change) + iteration 8: trace = 4.657812047553699 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.657803287529449 (3.44832e-05% change) - linmin: converged after 6 iterations. - iteration 11: trace = 4.657802747123332 (1.16022e-05% change) - linmin: converged after 4 iterations. - iteration 12: trace = 4.657802583154885 (3.5203e-06% change) - linmin: converged after 6 iterations. - iteration 13: trace = 4.657802512506884 (1.51677e-06% change) - linmin: converged after 4 iterations. - iteration 14: trace = 4.657802482770965 (6.38411e-07% change) - linmin: converged after 2 iterations. - iteration 15: trace = 4.657802459850075 (4.92097e-07% change) - linmin: converged after 4 iterations. - iteration 16: trace = 4.657802440944291 (4.05895e-07% change) - linmin: converged after 2 iterations. - iteration 17: trace = 4.657802424135108 (3.60882e-07% change) - linmin: converged after 2 iterations. - iteration 18: trace = 4.657802413141324 (2.36029e-07% change) + iteration 10: trace = 4.657803287529443 (3.44832e-05% change) + linmin: converged after 3 iterations. + iteration 11: trace = 4.657802747123325 (1.16022e-05% change) + linmin: converged after 3 iterations. + iteration 12: trace = 4.657802583154826 (3.5203e-06% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.657802512506777 (1.51677e-06% change) + linmin: converged after 19 iterations. + iteration 14: trace = 4.657802482770913 (6.3841e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.657802408226848 (1.05511e-07% change) + iteration 15: trace = 4.657802459850049 (4.92096e-07% change) + linmin: converged after 6 iterations. + iteration 16: trace = 4.657802440944289 (4.05894e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.657802405927233 (4.93712e-08% change) + iteration 17: trace = 4.657802424135102 (3.60882e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.65780240438896 (3.30257e-08% change) - linmin: converged after 17 iterations. - iteration 22: trace = 4.657802403523625 (1.85782e-08% change) - linmin: converged after 9 iterations. - iteration 23: trace = 4.657802403119733 (8.6713e-09% change) - linmin: converged after 13 iterations. - iteration 24: trace = 4.657802402939375 (3.87219e-09% change) - linmin: converged after 7 iterations. - iteration 25: trace = 4.657802402884992 (1.16755e-09% change) + iteration 18: trace = 4.657802413141312 (2.3603e-07% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.657802402867801 (3.69092e-10% change) + iteration 19: trace = 4.65780240822683 (1.05511e-07% change) + linmin: converged after 22 iterations. + iteration 20: trace = 4.657802405927216 (4.93712e-08% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.657802402862909 (1.0503e-10% change) + iteration 21: trace = 4.657802404388955 (3.30254e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 4.657802403523622 (1.85782e-08% change) + linmin: converged after 5 iterations. + iteration 23: trace = 4.657802403119729 (8.67132e-09% change) + linmin: converged after 18 iterations. + iteration 24: trace = 4.657802402939372 (3.87215e-09% change) + linmin: converged after 12 iterations. + iteration 25: trace = 4.657802402884993 (1.16748e-09% change) + linmin: converged after 6 iterations. + iteration 26: trace = 4.657802402867802 (3.69092e-10% change) + linmin: converged after 3 iterations. + iteration 27: trace = 4.65780240286291 (1.05011e-10% change) linmin: converged after 3 iterations. - iteration 28: trace = 4.657802402861526 (2.96898e-11% change) + iteration 28: trace = 4.657802402861527 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 -elapsed time for k point: 0.10038304328918457 +elapsed time for k point: 0.576634407043457 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.672735728067781 (0.129732% change) + iteration 1: trace = 4.672735728063688 (0.129732% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.670213935696863 (0.0539828% change) - linmin: converged after 6 iterations. - iteration 3: trace = 4.668592631124202 (0.0347219% change) + iteration 2: trace = 4.670213935693525 (0.0539828% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.667637099611687 (0.0204693% change) + iteration 3: trace = 4.668592631121893 (0.0347219% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.667264545138847 (0.00798197% change) + iteration 4: trace = 4.667637099610609 (0.0204693% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.667162918369823 (0.00217746% change) + iteration 5: trace = 4.667264545138631 (0.00798197% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.667121297308879 (0.000891789% change) + iteration 6: trace = 4.667162918369607 (0.00217746% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.66710588950992 (0.000330136% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.667099608686737 (0.000134576% change) - linmin: converged after 3 iterations. - iteration 10: trace = 4.667097710975174 (4.06615e-05% change) + iteration 7: trace = 4.66712129730869 (0.000891789% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.667096867241803 (1.80783e-05% change) + iteration 8: trace = 4.667105889509807 (0.000330136% change) + linmin: converged after 6 iterations. + iteration 9: trace = 4.667099608686656 (0.000134576% change) + linmin: converged after 7 iterations. + iteration 10: trace = 4.667097710975093 (4.06615e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.667096564921188 (6.4777e-06% change) + iteration 11: trace = 4.667096867241733 (1.80783e-05% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.667096423536345 (3.0294e-06% change) - linmin: converged after 2 iterations. - iteration 14: trace = 4.667096341918459 (1.74879e-06% change) - linmin: converged after 2 iterations. - iteration 15: trace = 4.667096252444997 (1.91711e-06% change) + iteration 12: trace = 4.667096564921129 (6.4777e-06% change) + linmin: converged after 4 iterations. + iteration 13: trace = 4.667096423536293 (3.0294e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.667096174501559 (1.67006e-06% change) + iteration 14: trace = 4.667096341918425 (1.74879e-06% change) + linmin: converged after 17 iterations. + iteration 15: trace = 4.667096252444979 (1.91711e-06% change) + linmin: converged after 9 iterations. + iteration 16: trace = 4.667096174501552 (1.67006e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.667096128228559 (9.91473e-07% change) + iteration 17: trace = 4.667096128228557 (9.91473e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.667096109588011 (3.99404e-07% change) + iteration 18: trace = 4.667096109588009 (3.99404e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.667096103668016 (1.26845e-07% change) + iteration 19: trace = 4.667096103668014 (1.26845e-07% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.667096101434464 (4.78574e-08% change) + iteration 20: trace = 4.667096101434466 (4.78573e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.667096100309835 (2.4097e-08% change) - linmin: converged after 21 iterations. - iteration 22: trace = 4.667096099663391 (1.38511e-08% change) - linmin: converged after 23 iterations. - iteration 23: trace = 4.667096099284757 (8.11284e-09% change) + iteration 21: trace = 4.667096100309837 (2.4097e-08% change) + linmin: converged after 5 iterations. + iteration 22: trace = 4.667096099663393 (1.38511e-08% change) + linmin: converged after 2 iterations. + iteration 23: trace = 4.667096099284748 (8.11307e-09% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.667096099089912 (4.17487e-09% change) - linmin: converged after 4 iterations. - iteration 25: trace = 4.667096099007758 (1.76028e-09% change) + iteration 24: trace = 4.667096099089914 (4.17464e-09% change) + linmin: converged after 5 iterations. + iteration 25: trace = 4.667096099007754 (1.76041e-09% change) + linmin: converged after 2 iterations. + iteration 26: trace = 4.667096098964766 (9.21083e-10% change) + linmin: converged after 2 iterations. + iteration 27: trace = 4.667096098939575 (5.39766e-10% change) linmin: converged after 6 iterations. - iteration 26: trace = 4.667096098964763 (9.21235e-10% change) - linmin: converged after 4 iterations. - iteration 27: trace = 4.667096098939575 (5.39709e-10% change) - linmin: converged after 3 iterations. - iteration 28: trace = 4.667096098919739 (4.25011e-10% change) - linmin: converged after 3 iterations. - iteration 29: trace = 4.667096098902278 (3.74123e-10% change) + iteration 28: trace = 4.667096098919733 (4.25145e-10% change) + linmin: converged after 9 iterations. + iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. - iteration 30: trace = 4.667096098892165 (2.16702e-10% change) - linmin: converged after 2 iterations. - iteration 31: trace = 4.667096098888666 (7.49617e-11% change) + iteration 30: trace = 4.667096098892163 (2.16797e-10% change) + linmin: converged after 6 iterations. + iteration 31: trace = 4.667096098888664 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 -elapsed time for k point: 0.32219767570495605 +elapsed time for k point: 0.5544819831848145 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.68724409303374 (0.138258% change) + iteration 1: trace = 4.687244093033342 (0.138258% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.684501121648906 (0.058537% change) - linmin: converged after 5 iterations. - iteration 3: trace = 4.68286993057846 (0.0348271% change) + iteration 2: trace = 4.68450112164867 (0.058537% change) + linmin: converged after 10 iterations. + iteration 3: trace = 4.682869930578359 (0.0348271% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.682034068317714 (0.017851% change) + iteration 4: trace = 4.682034068317738 (0.017851% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.681730640009308 (0.0064809% change) + iteration 5: trace = 4.681730640009381 (0.0064809% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.681655106921903 (0.00161337% change) + iteration 6: trace = 4.681655106921975 (0.00161337% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.681629472565953 (0.000547551% change) + iteration 7: trace = 4.681629472566017 (0.000547551% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.681621443725628 (0.000171497% change) + iteration 8: trace = 4.681621443725679 (0.000171497% change) linmin: converged after 5 iterations. - iteration 9: trace = 4.681618077223676 (7.19089e-05% change) + iteration 9: trace = 4.681618077223716 (7.19089e-05% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.681616737997818 (2.86061e-05% change) + iteration 10: trace = 4.681616737997851 (2.86061e-05% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.681615858546149 (1.87852e-05% change) + iteration 11: trace = 4.681615858546173 (1.87852e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.681615429378741 (9.16708e-06% change) - linmin: converged after 3 iterations. - iteration 13: trace = 4.681615194362249 (5.01999e-06% change) + iteration 12: trace = 4.681615429378753 (9.16708e-06% change) + linmin: converged after 8 iterations. + iteration 13: trace = 4.681615194362259 (5.01999e-06% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.681615039711974 (3.30335e-06% change) - linmin: converged after 4 iterations. - iteration 15: trace = 4.681614869241988 (3.64126e-06% change) - linmin: converged after 16 iterations. - iteration 16: trace = 4.68161472623034 (3.05475e-06% change) + iteration 14: trace = 4.681615039712025 (3.30335e-06% change) + linmin: converged after 13 iterations. + iteration 15: trace = 4.681614869242011 (3.64127e-06% change) + linmin: converged after 5 iterations. + iteration 16: trace = 4.681614726230269 (3.05475e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.681614658041417 (1.45653e-06% change) - linmin: converged after 3 iterations. - iteration 18: trace = 4.681614630400924 (5.90405e-07% change) + iteration 17: trace = 4.681614658041394 (1.45652e-06% change) linmin: converged after 10 iterations. - iteration 19: trace = 4.681614620951711 (2.01837e-07% change) - linmin: converged after 27 iterations. - iteration 20: trace = 4.68161461585685 (1.08827e-07% change) + iteration 18: trace = 4.681614630400899 (5.90405e-07% change) + linmin: converged after 37 iterations. + iteration 19: trace = 4.681614620951699 (2.01836e-07% change) + linmin: converged after 2 iterations. + iteration 20: trace = 4.681614615856844 (1.08827e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.681614612123162 (7.97521e-08% change) + iteration 21: trace = 4.681614612123169 (7.97519e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.681614608813802 (7.06884e-08% change) + iteration 22: trace = 4.681614608813798 (7.06887e-08% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.68161460661389 (4.69905e-08% change) + iteration 23: trace = 4.681614606613888 (4.69904e-08% change) + linmin: converged after 3 iterations. + iteration 24: trace = 4.681614605684864 (1.98441e-08% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.681614605684866 (1.98441e-08% change) + iteration 25: trace = 4.681614605285613 (8.52805e-09% change) + linmin: converged after 2 iterations. + iteration 26: trace = 4.681614605099327 (3.97911e-09% change) + linmin: converged after 13 iterations. + iteration 27: trace = 4.681614605024984 (1.58798e-09% change) linmin: converged after 4 iterations. - iteration 25: trace = 4.68161460528561 (8.52816e-09% change) + iteration 28: trace = 4.681614605000402 (5.25059e-10% change) linmin: converged after 3 iterations. - iteration 26: trace = 4.681614605099326 (3.97905e-09% change) - linmin: converged after 6 iterations. - iteration 27: trace = 4.681614605024981 (1.58802e-09% change) - linmin: converged after 6 iterations. - iteration 28: trace = 4.681614605000403 (5.24983e-10% change) + iteration 29: trace = 4.681614604988976 (2.4407e-10% change) linmin: converged after 4 iterations. - iteration 29: trace = 4.681614604988978 (2.44051e-10% change) + iteration 30: trace = 4.681614604983469 (1.17624e-10% change) linmin: converged after 5 iterations. - iteration 30: trace = 4.681614604983466 (1.17738e-10% change) - linmin: converged after 6 iterations. - iteration 31: trace = 4.681614604980838 (5.6137e-11% change) + iteration 31: trace = 4.681614604980835 (5.62698e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 -elapsed time for k point: 0.2992730140686035 +elapsed time for k point: 0.5117769241333008 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.705683450233681 (0.150475% change) + iteration 1: trace = 4.70568345023703 (0.150475% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.702693967398481 (0.0635494% change) + iteration 2: trace = 4.70269396740059 (0.0635494% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.70107086068539 (0.0345204% change) + iteration 3: trace = 4.701070860686399 (0.0345204% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.700326710701948 (0.0158306% change) + iteration 4: trace = 4.700326710702802 (0.0158306% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.700066397544948 (0.00553835% change) + iteration 5: trace = 4.700066397545958 (0.00553835% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.699999664100516 (0.00141985% change) + iteration 6: trace = 4.699999664101608 (0.00141985% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.6999786169586 (0.000447813% change) - linmin: converged after 4 iterations. - iteration 8: trace = 4.699972034548884 (0.000140052% change) + iteration 7: trace = 4.69997861695964 (0.000447813% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.69996900063083 (6.45519e-05% change) + iteration 8: trace = 4.699972034549861 (0.000140052% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.699967170929755 (3.89301e-05% change) + iteration 9: trace = 4.699969000631697 (6.45519e-05% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.699965319406983 (3.93944e-05% change) - linmin: converged after 4 iterations. - iteration 12: trace = 4.699964030426728 (2.74253e-05% change) + iteration 10: trace = 4.699967170930496 (3.89301e-05% change) + linmin: converged after 5 iterations. + iteration 11: trace = 4.699965319407529 (3.93944e-05% change) + linmin: converged after 5 iterations. + iteration 12: trace = 4.699964030427122 (2.74253e-05% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.699963193699679 (1.78028e-05% change) + iteration 13: trace = 4.699963193699963 (1.78028e-05% change) linmin: converged after 3 iterations. - iteration 14: trace = 4.69996256078505 (1.34664e-05% change) + iteration 14: trace = 4.699962560785234 (1.34664e-05% change) linmin: converged after 3 iterations. - iteration 15: trace = 4.699961832691017 (1.54915e-05% change) - linmin: converged after 5 iterations. - iteration 16: trace = 4.699961225600784 (1.29169e-05% change) + iteration 15: trace = 4.699961832691105 (1.54915e-05% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.699960906583672 (6.78765e-06% change) + iteration 16: trace = 4.699961225600818 (1.29169e-05% change) + linmin: converged after 4 iterations. + iteration 17: trace = 4.699960906583683 (6.78765e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.699960737235763 (3.60318e-06% change) - linmin: converged after 5 iterations. - iteration 19: trace = 4.699960644725965 (1.96831e-06% change) + iteration 18: trace = 4.699960737235767 (3.60318e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.69996059288988 (1.1029e-06% change) - linmin: converged after 6 iterations. - iteration 21: trace = 4.699960564066774 (6.13263e-07% change) - linmin: converged after 16 iterations. - iteration 22: trace = 4.699960551853533 (2.59858e-07% change) - linmin: converged after 10 iterations. - iteration 23: trace = 4.699960547235491 (9.82571e-08% change) + iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. - iteration 24: trace = 4.699960545971041 (2.69034e-08% change) + iteration 20: trace = 4.699960592889884 (1.1029e-06% change) + linmin: converged after 2 iterations. + iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 3 iterations. - iteration 25: trace = 4.699960545396203 (1.22307e-08% change) - linmin: converged after 6 iterations. - iteration 26: trace = 4.699960545062297 (7.10443e-09% change) + iteration 22: trace = 4.699960551853536 (2.59858e-07% change) linmin: converged after 3 iterations. - iteration 27: trace = 4.699960544894044 (3.5799e-09% change) + iteration 23: trace = 4.699960547235489 (9.82571e-08% change) + linmin: converged after 2 iterations. + iteration 24: trace = 4.699960545971042 (2.69034e-08% change) + linmin: converged after 2 iterations. + iteration 25: trace = 4.699960545396197 (1.22308e-08% change) + linmin: converged after 6 iterations. + iteration 26: trace = 4.699960545062297 (7.10432e-09% change) + linmin: converged after 17 iterations. + iteration 27: trace = 4.699960544894045 (3.57986e-09% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.699960544831159 (1.33799e-09% change) - linmin: converged after 11 iterations. - iteration 29: trace = 4.6999605448051 (5.54455e-10% change) + iteration 28: trace = 4.699960544831157 (1.33806e-09% change) + linmin: converged after 5 iterations. + iteration 29: trace = 4.699960544805093 (5.54549e-10% change) linmin: converged after 3 iterations. - iteration 30: trace = 4.699960544792849 (2.60654e-10% change) - linmin: converged after 2 iterations. - iteration 31: trace = 4.69996054478645 (1.36157e-10% change) + iteration 30: trace = 4.699960544792843 (2.60654e-10% change) linmin: converged after 4 iterations. - iteration 32: trace = 4.699960544782284 (8.86296e-11% change) + iteration 31: trace = 4.699960544786452 (1.35968e-10% change) + linmin: converged after 3 iterations. + iteration 32: trace = 4.699960544782281 (8.8743e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 -elapsed time for k point: 0.11417722702026367 +elapsed time for k point: 0.5891118049621582 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.726091835507106 (0.165622% change) + iteration 1: trace = 4.726091835507038 (0.165622% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.722802797494394 (0.0696174% change) + iteration 2: trace = 4.722802797494285 (0.0696174% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.721109191088676 (0.0358666% change) + iteration 3: trace = 4.721109191088566 (0.0358666% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.72032520151121 (0.0166074% change) + iteration 4: trace = 4.720325201511085 (0.0166074% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.72002872799315 (0.00628098% change) + iteration 5: trace = 4.720028727993002 (0.00628098% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.719918630348262 (0.00233259% change) + iteration 6: trace = 4.719918630348108 (0.00233259% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.719865321786709 (0.00112944% change) + iteration 7: trace = 4.719865321786559 (0.00112944% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.719831657791618 (0.000713243% change) + iteration 8: trace = 4.719831657791466 (0.000713243% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.719807413356836 (0.000513673% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.719790508683381 (0.000358165% change) + iteration 9: trace = 4.71980741335668 (0.000513673% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.719779814606182 (0.00022658% change) + iteration 10: trace = 4.719790508683225 (0.000358165% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.719770348474473 (0.000200563% change) + iteration 11: trace = 4.719779814606032 (0.00022658% change) linmin: converged after 5 iterations. - iteration 13: trace = 4.719756280309288 (0.000298069% change) + iteration 12: trace = 4.719770348474322 (0.000200563% change) + linmin: converged after 5 iterations. + iteration 13: trace = 4.719756280309134 (0.000298069% change) large trace change predicted (0.000793235%) - linmin: converged after 4 iterations. - iteration 14: trace = 4.719718876296148 (0.000792502% change) - large trace change predicted (0.00173209%) linmin: converged after 5 iterations. - iteration 15: trace = 4.719637476239784 (0.0017247% change) + iteration 14: trace = 4.719718876296014 (0.000792502% change) + large trace change predicted (0.00173209%) + linmin: converged after 4 iterations. + iteration 15: trace = 4.719637476239666 (0.0017247% change) + linmin: converged after 10 iterations. + iteration 16: trace = 4.719538716018454 (0.00209256% change) linmin: converged after 7 iterations. - iteration 16: trace = 4.719538716018542 (0.00209256% change) + iteration 17: trace = 4.719446199525518 (0.00196031% change) linmin: converged after 5 iterations. - iteration 17: trace = 4.719446199526267 (0.00196031% change) + iteration 18: trace = 4.719342067174776 (0.00220648% change) linmin: converged after 4 iterations. - iteration 18: trace = 4.719342067175936 (0.00220648% change) - linmin: converged after 5 iterations. - iteration 19: trace = 4.719250145666872 (0.00194778% change) + iteration 19: trace = 4.719250145666389 (0.00194778% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.719204779904011 (0.000961296% change) + iteration 20: trace = 4.719204779903466 (0.000961296% change) linmin: converged after 3 iterations. - iteration 21: trace = 4.719181996965549 (0.000482772% change) + iteration 21: trace = 4.719181996965342 (0.000482772% change) linmin: converged after 3 iterations. - iteration 22: trace = 4.719173491797681 (0.000180226% change) + iteration 22: trace = 4.719173491797492 (0.000180226% change) linmin: converged after 3 iterations. - iteration 23: trace = 4.719169509310166 (8.43895e-05% change) + iteration 23: trace = 4.719169509310038 (8.43895e-05% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.719167458937846 (4.34477e-05% change) - linmin: converged after 5 iterations. - iteration 25: trace = 4.719165917312573 (3.26673e-05% change) + iteration 24: trace = 4.719167458937708 (4.34477e-05% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.719165107645351 (1.7157e-05% change) - linmin: converged after 2 iterations. - iteration 27: trace = 4.719164862214882 (5.20072e-06% change) + iteration 25: trace = 4.719165917312441 (3.26673e-05% change) + linmin: converged after 4 iterations. + iteration 26: trace = 4.719165107645221 (1.7157e-05% change) + linmin: converged after 5 iterations. + iteration 27: trace = 4.719164862214758 (5.20072e-06% change) + linmin: converged after 24 iterations. + iteration 28: trace = 4.719164785195745 (1.63205e-06% change) + linmin: converged after 6 iterations. + iteration 29: trace = 4.719164760925828 (5.14284e-07% change) linmin: converged after 2 iterations. - iteration 28: trace = 4.719164785195874 (1.63205e-06% change) + iteration 30: trace = 4.719164750431597 (2.22375e-07% change) + linmin: converged after 4 iterations. + iteration 31: trace = 4.719164743983883 (1.36628e-07% change) linmin: converged after 2 iterations. - iteration 29: trace = 4.71916476092593 (5.14285e-07% change) + iteration 32: trace = 4.719164738003482 (1.26726e-07% change) linmin: converged after 2 iterations. - iteration 30: trace = 4.719164750431715 (2.22374e-07% change) - linmin: converged after 4 iterations. - iteration 31: trace = 4.719164743984006 (1.36628e-07% change) + iteration 33: trace = 4.719164732535467 (1.15868e-07% change) linmin: converged after 3 iterations. - iteration 32: trace = 4.71916473800363 (1.26725e-07% change) + iteration 34: trace = 4.719164729193493 (7.08171e-08% change) linmin: converged after 2 iterations. - iteration 33: trace = 4.719164732535607 (1.15868e-07% change) - linmin: converged after 3 iterations. - iteration 34: trace = 4.719164729193626 (7.08172e-08% change) - linmin: converged after 18 iterations. - iteration 35: trace = 4.719164727750008 (3.05905e-08% change) - linmin: converged after 3 iterations. - iteration 36: trace = 4.719164727251828 (1.05565e-08% change) + iteration 35: trace = 4.719164727749883 (3.05904e-08% change) + linmin: converged after 2 iterations. + iteration 36: trace = 4.719164727251705 (1.05565e-08% change) linmin: converged after 2 iterations. - iteration 37: trace = 4.71916472698585 (5.63611e-09% change) + iteration 37: trace = 4.719164726985723 (5.63621e-09% change) linmin: converged after 2 iterations. - iteration 38: trace = 4.719164726837913 (3.13483e-09% change) + iteration 38: trace = 4.719164726837792 (3.1347e-09% change) + linmin: converged after 12 iterations. + iteration 39: trace = 4.719164726708735 (2.73474e-09% change) + linmin: converged after 7 iterations. + iteration 40: trace = 4.719164726550141 (3.36064e-09% change) + linmin: converged after 5 iterations. + iteration 41: trace = 4.719164726298249 (5.33764e-09% change) + linmin: converged after 6 iterations. + iteration 42: trace = 4.71916472585322 (9.43025e-09% change) linmin: converged after 4 iterations. - iteration 39: trace = 4.719164726708856 (2.73474e-09% change) - linmin: converged after 3 iterations. - iteration 40: trace = 4.71916472655026 (3.36068e-09% change) - linmin: converged after 3 iterations. - iteration 41: trace = 4.719164726298359 (5.33782e-09% change) + iteration 43: trace = 4.719164725066964 (1.66609e-08% change) + linmin: converged after 4 iterations. + iteration 44: trace = 4.719164723722669 (2.84859e-08% change) + linmin: converged after 23 iterations. + iteration 45: trace = 4.719164722420009 (2.76036e-08% change) + linmin: converged after 9 iterations. + iteration 46: trace = 4.719164721562645 (1.81677e-08% change) + linmin: converged after 29 iterations. + iteration 47: trace = 4.719164720988552 (1.21652e-08% change) linmin: converged after 5 iterations. - iteration 42: trace = 4.7191647258533 (9.43089e-09% change) - linmin: converged after 15 iterations. - iteration 43: trace = 4.719164725066989 (1.66621e-08% change) + iteration 48: trace = 4.71916472062323 (7.74124e-09% change) + linmin: converged after 18 iterations. + iteration 49: trace = 4.719164720382047 (5.11072e-09% change) + linmin: converged after 2 iterations. + iteration 50: trace = 4.719164720281921 (2.12167e-09% change) linmin: converged after 4 iterations. - iteration 44: trace = 4.719164723722607 (2.84877e-08% change) - linmin: converged after 19 iterations. - iteration 45: trace = 4.719164722419896 (2.76047e-08% change) + iteration 51: trace = 4.719164720241513 (8.56265e-10% change) linmin: converged after 6 iterations. - iteration 46: trace = 4.719164721562548 (1.81674e-08% change) - linmin: converged after 16 iterations. - iteration 47: trace = 4.719164720988488 (1.21644e-08% change) - linmin: converged after 2 iterations. - iteration 48: trace = 4.719164720623203 (7.74045e-09% change) - linmin: converged after 19 iterations. - iteration 49: trace = 4.719164720382039 (5.11032e-09% change) - linmin: converged after 15 iterations. - iteration 50: trace = 4.719164720281916 (2.12162e-09% change) - linmin: converged after 14 iterations. - iteration 51: trace = 4.719164720241514 (8.56133e-10% change) - linmin: converged after 2 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. - iteration 53: trace = 4.719164720218772 (1.4044e-10% change) + iteration 53: trace = 4.719164720218769 (1.40477e-10% change) linmin: converged after 3 iterations. - iteration 54: trace = 4.719164720216029 (5.81182e-11% change) + iteration 54: trace = 4.71916472021603 (5.80429e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 -elapsed time for k point: 0.5063040256500244 +elapsed time for k point: 2.895876407623291 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.692944380121553 (0.970793% change) + iteration 1: trace = 4.692944379891523 (0.970793% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.672476472685538 (0.437095% change) + iteration 2: trace = 4.672476472561108 (0.437095% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.661345041534262 (0.238518% change) + iteration 3: trace = 4.661345041477657 (0.238518% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.656898551867178 (0.0954362% change) + iteration 4: trace = 4.656898551843586 (0.0954362% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.655008764246738 (0.0405886% change) + iteration 5: trace = 4.655008764237149 (0.0405886% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.654399336084339 (0.0130927% change) + iteration 6: trace = 4.654399336080442 (0.0130927% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.654116590782666 (0.00607498% change) + iteration 7: trace = 4.654116590781353 (0.00607498% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.654018455428814 (0.00210859% change) + iteration 8: trace = 4.654018455428288 (0.00210859% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.653979714231529 (0.000832428% change) + iteration 9: trace = 4.653979714231328 (0.000832428% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.653965914128197 (0.000296523% change) + iteration 10: trace = 4.653965914128123 (0.000296523% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.653960270293227 (0.000121269% change) + iteration 11: trace = 4.653960270293195 (0.000121269% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.653958279342827 (4.27797e-05% change) + iteration 12: trace = 4.653958279342811 (4.27797e-05% change) linmin: converged after 5 iterations. - iteration 13: trace = 4.65395753485975 (1.59968e-05% change) - linmin: converged after 18 iterations. - iteration 14: trace = 4.653957210162049 (6.97681e-06% change) + iteration 13: trace = 4.653957534859742 (1.59968e-05% change) linmin: converged after 2 iterations. - iteration 15: trace = 4.653957025852145 (3.96028e-06% change) - linmin: converged after 5 iterations. - iteration 16: trace = 4.653956928560638 (2.09051e-06% change) + iteration 14: trace = 4.653957210162043 (6.97681e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.653956875769971 (1.13432e-06% change) - linmin: converged after 32 iterations. - iteration 18: trace = 4.653956841201482 (7.42776e-07% change) - linmin: converged after 5 iterations. - iteration 19: trace = 4.653956819085463 (4.75209e-07% change) - linmin: converged after 3 iterations. - iteration 20: trace = 4.65395680993505 (1.96616e-07% change) + iteration 15: trace = 4.653957025852098 (3.96028e-06% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.653956806517475 (7.34337e-08% change) - linmin: converged after 3 iterations. - iteration 22: trace = 4.653956805199018 (2.83298e-08% change) + iteration 16: trace = 4.653956928560724 (2.09051e-06% change) + linmin: converged after 2 iterations. + iteration 17: trace = 4.653956875769934 (1.13432e-06% change) + linmin: converged after 4 iterations. + iteration 18: trace = 4.653956841201479 (7.42776e-07% change) + linmin: converged after 4 iterations. + iteration 19: trace = 4.653956819085471 (4.75209e-07% change) + linmin: converged after 4 iterations. + iteration 20: trace = 4.65395680993506 (1.96616e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.653956804663047 (1.15164e-08% change) + iteration 21: trace = 4.653956806517484 (7.34338e-08% change) + linmin: converged after 2 iterations. + iteration 22: trace = 4.653956805199019 (2.833e-08% change) + linmin: converged after 12 iterations. + iteration 23: trace = 4.653956804663054 (1.15163e-08% change) + linmin: converged after 4 iterations. + iteration 24: trace = 4.65395680436798 (6.34029e-09% change) linmin: converged after 15 iterations. - iteration 24: trace = 4.653956804367977 (6.34021e-09% change) + iteration 25: trace = 4.653956804189203 (3.8414e-09% change) linmin: converged after 3 iterations. - iteration 25: trace = 4.6539568041892 (3.8414e-09% change) - linmin: converged after 3 iterations. - iteration 26: trace = 4.653956804095571 (2.0118e-09% change) - linmin: converged after 6 iterations. - iteration 27: trace = 4.653956804061927 (7.22916e-10% change) + iteration 26: trace = 4.653956804095573 (2.01184e-09% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.653956804052049 (2.12256e-10% change) + iteration 27: trace = 4.653956804061928 (7.22935e-10% change) linmin: converged after 4 iterations. - iteration 29: trace = 4.653956804049409 (5.67188e-11% change) + iteration 28: trace = 4.653956804052052 (2.12218e-10% change) + linmin: converged after 16 iterations. + iteration 29: trace = 4.653956804049414 (5.66806e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 -elapsed time for k point: 0.10408735275268555 +elapsed time for k point: 0.7726953029632568 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.588920978573792 (0.874534% change) + iteration 1: trace = 4.588920978579226 (0.874534% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.57524986061685 (0.29836% change) + iteration 2: trace = 4.575249860620828 (0.29836% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.569227615778968 (0.131713% change) + iteration 3: trace = 4.569227615780713 (0.131713% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.567129923726264 (0.0459197% change) + iteration 4: trace = 4.567129923727054 (0.0459197% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.566231478753043 (0.0196739% change) + iteration 5: trace = 4.566231478753193 (0.0196739% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.565933792276756 (0.00651952% change) + iteration 6: trace = 4.565933792276808 (0.00651952% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.565803133406289 (0.00286164% change) + iteration 7: trace = 4.5658031334063 (0.00286164% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.565757220078057 (0.0010056% change) + iteration 8: trace = 4.565757220078056 (0.0010056% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.565743625954827 (0.000297741% change) + iteration 9: trace = 4.565743625954828 (0.000297741% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.565739612896303 (8.7895e-05% change) + iteration 10: trace = 4.565739612896301 (8.7895e-05% change) + linmin: converged after 4 iterations. + iteration 11: trace = 4.565738200055287 (3.09444e-05% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.565738200055284 (3.09444e-05% change) + iteration 12: trace = 4.565737746810891 (9.92708e-06% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.565737746810886 (9.92708e-06% change) - linmin: converged after 2 iterations. - iteration 13: trace = 4.565737597483533 (3.27061e-06% change) - linmin: converged after 14 iterations. - iteration 14: trace = 4.565737552537147 (9.84428e-07% change) - linmin: converged after 3 iterations. - iteration 15: trace = 4.565737539290476 (2.90132e-07% change) + iteration 13: trace = 4.565737597483526 (3.27061e-06% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.565737535646699 (7.9807e-08% change) - linmin: converged after 20 iterations. - iteration 17: trace = 4.565737534603478 (2.28489e-08% change) - linmin: converged after 2 iterations. - iteration 18: trace = 4.565737534315073 (6.31672e-09% change) - linmin: converged after 3 iterations. - iteration 19: trace = 4.565737534206799 (2.37145e-09% change) - linmin: converged after 10 iterations. - iteration 20: trace = 4.565737534143935 (1.37687e-09% change) + iteration 14: trace = 4.565737552537143 (9.84428e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.565737534100022 (9.61782e-10% change) + iteration 15: trace = 4.565737539290493 (2.90132e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 4.565737534070944 (6.36876e-10% change) - linmin: converged after 9 iterations. - iteration 23: trace = 4.565737534052837 (3.96591e-10% change) + iteration 16: trace = 4.565737535646703 (7.98072e-08% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.565737534041937 (2.38729e-10% change) + iteration 17: trace = 4.565737534603482 (2.28489e-08% change) + linmin: converged after 2 iterations. + iteration 18: trace = 4.565737534315073 (6.31682e-09% change) + linmin: converged after 9 iterations. + iteration 19: trace = 4.565737534206801 (2.37139e-09% change) + linmin: converged after 9 iterations. + iteration 20: trace = 4.56573753414394 (1.37679e-09% change) + linmin: converged after 4 iterations. + iteration 21: trace = 4.565737534100022 (9.61898e-10% change) linmin: converged after 4 iterations. - iteration 25: trace = 4.565737534035818 (1.34032e-10% change) + iteration 22: trace = 4.565737534070951 (6.3674e-10% change) + linmin: converged after 6 iterations. + iteration 23: trace = 4.565737534052835 (3.96766e-10% change) + linmin: converged after 3 iterations. + iteration 24: trace = 4.565737534041939 (2.38651e-10% change) + linmin: converged after 3 iterations. + iteration 25: trace = 4.56573753403582 (1.34013e-10% change) linmin: converged after 2 iterations. - iteration 26: trace = 4.565737534032805 (6.5985e-11% change) + iteration 26: trace = 4.565737534032807 (6.60044e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 -elapsed time for k point: 0.09349775314331055 +elapsed time for k point: 0.6736359596252441 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.508620212892414 (0.753199% change) + iteration 1: trace = 4.508620212892166 (0.753199% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.499716957737204 (0.197667% change) + iteration 2: trace = 4.499716957737281 (0.197667% change) linmin: converged after 3 iterations. - iteration 3: trace = 4.49666086179891 (0.0679406% change) + iteration 3: trace = 4.49666086179896 (0.0679406% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.495746516235467 (0.0203359% change) + iteration 4: trace = 4.49574651623554 (0.0203359% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.495430397031072 (0.00703176% change) + iteration 5: trace = 4.495430397031109 (0.00703176% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.495345271640691 (0.00189362% change) + iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.495315544672331 (0.000661286% change) - linmin: converged after 5 iterations. - iteration 8: trace = 4.49530364914899 (0.000264621% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.495300564167793 (6.86268e-05% change) + iteration 7: trace = 4.495315544672334 (0.000661286% change) + linmin: converged after 4 iterations. + iteration 8: trace = 4.495303649148999 (0.000264621% change) + linmin: converged after 3 iterations. + iteration 9: trace = 4.495300564167787 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.495299629871558 (3.8549e-06% change) - linmin: converged after 13 iterations. - iteration 12: trace = 4.495299593694353 (8.04778e-07% change) - linmin: converged after 7 iterations. + iteration 11: trace = 4.495299629871562 (3.8549e-06% change) + linmin: converged after 4 iterations. + iteration 12: trace = 4.495299593694355 (8.04779e-07% change) + linmin: converged after 12 iterations. iteration 13: trace = 4.495299585129779 (1.90523e-07% change) + linmin: converged after 2 iterations. + iteration 14: trace = 4.495299582963901 (4.8181e-08% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.495299582963899 (4.8181e-08% change) - linmin: converged after 3 iterations. - iteration 15: trace = 4.495299582144044 (1.8238e-08% change) + iteration 15: trace = 4.49529958214405 (1.8238e-08% change) + linmin: converged after 13 iterations. + iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.495299581549301 (1.32303e-08% change) - linmin: converged after 5 iterations. - iteration 17: trace = 4.495299580823794 (1.61393e-08% change) + iteration 17: trace = 4.495299580823787 (1.61393e-08% change) + linmin: converged after 4 iterations. + iteration 18: trace = 4.495299579922 (2.00607e-08% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.495299579922002 (2.00608e-08% change) + iteration 19: trace = 4.495299579325446 (1.32706e-08% change) linmin: converged after 4 iterations. - iteration 19: trace = 4.495299579325446 (1.32707e-08% change) + iteration 20: trace = 4.495299579065505 (5.7825e-09% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.4952995790655 (5.78263e-09% change) - linmin: converged after 3 iterations. - iteration 21: trace = 4.495299578960947 (2.32583e-09% change) - linmin: converged after 2 iterations. - iteration 22: trace = 4.49529957891384 (1.04792e-09% change) + iteration 21: trace = 4.495299578960951 (2.32584e-09% change) + linmin: converged after 12 iterations. + iteration 22: trace = 4.495299578913846 (1.04788e-09% change) + linmin: converged after 6 iterations. + iteration 23: trace = 4.495299578893935 (4.42933e-10% change) linmin: converged after 3 iterations. - iteration 23: trace = 4.495299578893932 (4.42854e-10% change) - linmin: converged after 7 iterations. - iteration 24: trace = 4.495299578886664 (1.61679e-10% change) - linmin: converged after 14 iterations. - iteration 25: trace = 4.495299578884342 (5.1667e-11% change) + iteration 24: trace = 4.495299578886664 (1.61738e-10% change) + linmin: converged after 4 iterations. + iteration 25: trace = 4.495299578884341 (5.16868e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 -elapsed time for k point: 0.08976411819458008 +elapsed time for k point: 1.2769114971160889 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.473866004791003 (0.70844% change) + iteration 1: trace = 4.473866004790167 (0.70844% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.466337931880181 (0.168409% change) + iteration 2: trace = 4.466337931879858 (0.168409% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.464014970093519 (0.052024% change) + iteration 3: trace = 4.464014970093421 (0.052024% change) linmin: converged after 3 iterations. - iteration 4: trace = 4.463224313439734 (0.0177134% change) + iteration 4: trace = 4.463224313439671 (0.0177134% change) linmin: converged after 3 iterations. - iteration 5: trace = 4.462870601137276 (0.00792535% change) + iteration 5: trace = 4.462870601137229 (0.00792535% change) linmin: converged after 3 iterations. - iteration 6: trace = 4.462724153332465 (0.00328152% change) + iteration 6: trace = 4.462724153332439 (0.00328152% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.462635338597407 (0.00199017% change) - linmin: converged after 4 iterations. - iteration 8: trace = 4.46258977672776 (0.00102097% change) + iteration 7: trace = 4.462635338597384 (0.00199017% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.462576102002984 (0.000306431% change) + iteration 8: trace = 4.462589776727746 (0.00102097% change) linmin: converged after 5 iterations. - iteration 10: trace = 4.462571864667401 (9.49527e-05% change) - linmin: converged after 6 iterations. - iteration 11: trace = 4.462570546979999 (2.95275e-05% change) + iteration 9: trace = 4.46257610200297 (0.000306431% change) + linmin: converged after 5 iterations. + iteration 10: trace = 4.462571864667398 (9.49527e-05% change) + linmin: converged after 5 iterations. + iteration 11: trace = 4.462570546979986 (2.95275e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.462570139814236 (9.12402e-06% change) + iteration 12: trace = 4.462570139814225 (9.12402e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.462570010886536 (2.88909e-06% change) - linmin: converged after 3 iterations. - iteration 14: trace = 4.462569981202181 (6.65185e-07% change) + iteration 13: trace = 4.46257001088653 (2.88909e-06% change) + linmin: converged after 9 iterations. + iteration 14: trace = 4.462569981202175 (6.65185e-07% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.462569970590494 (2.37793e-07% change) + iteration 15: trace = 4.46256997059049 (2.37793e-07% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.462569966989752 (8.06876e-08% change) - linmin: converged after 3 iterations. - iteration 17: trace = 4.462569964422022 (5.75393e-08% change) - linmin: converged after 2 iterations. - iteration 18: trace = 4.462569961021073 (7.62105e-08% change) + iteration 16: trace = 4.462569966989745 (8.06877e-08% change) + linmin: converged after 30 iterations. + iteration 17: trace = 4.462569964422014 (5.75393e-08% change) + linmin: converged after 7 iterations. + iteration 18: trace = 4.462569961021072 (7.62104e-08% change) large trace change predicted (1.59484e-07%) - linmin: converged after 6 iterations. - iteration 19: trace = 4.462569953904014 (1.59483e-07% change) - linmin: converged after 9 iterations. - iteration 20: trace = 4.46256994368323 (2.29034e-07% change) - linmin: converged after 3 iterations. - iteration 21: trace = 4.462569934609512 (2.03329e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 4.462569927927922 (1.49725e-07% change) + iteration 19: trace = 4.462569953904013 (1.59483e-07% change) + linmin: converged after 9 iterations. + iteration 20: trace = 4.462569943683237 (2.29033e-07% change) + linmin: converged after 2 iterations. + iteration 21: trace = 4.46256993460952 (2.03329e-07% change) + linmin: converged after 2 iterations. + iteration 22: trace = 4.462569927927915 (1.49725e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 4.462569924053909 (8.68113e-08% change) + iteration 23: trace = 4.462569924053907 (8.68111e-08% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.462569921863484 (4.90844e-08% change) - linmin: converged after 6 iterations. - iteration 25: trace = 4.462569921105946 (1.69754e-08% change) - linmin: converged after 5 iterations. - iteration 26: trace = 4.462569920846201 (5.82051e-09% change) - linmin: converged after 8 iterations. - iteration 27: trace = 4.462569920755987 (2.02157e-09% change) - linmin: converged after 12 iterations. - iteration 28: trace = 4.462569920708031 (1.07463e-09% change) + iteration 24: trace = 4.462569921863489 (4.90842e-08% change) linmin: converged after 4 iterations. - iteration 29: trace = 4.462569920679469 (6.40036e-10% change) - linmin: converged after 3 iterations. - iteration 30: trace = 4.462569920665278 (3.17988e-10% change) + iteration 25: trace = 4.462569921105944 (1.69755e-08% change) linmin: converged after 17 iterations. - iteration 31: trace = 4.4625699206614 (8.69157e-11% change) + iteration 26: trace = 4.462569920846197 (5.82057e-09% change) + linmin: converged after 9 iterations. + iteration 27: trace = 4.462569920755987 (2.02147e-09% change) + linmin: converged after 10 iterations. + iteration 28: trace = 4.462569920708033 (1.07459e-09% change) + linmin: converged after 9 iterations. + iteration 29: trace = 4.462569920679466 (6.40135e-10% change) + linmin: converged after 5 iterations. + iteration 30: trace = 4.462569920665278 (3.17948e-10% change) + linmin: converged after 6 iterations. + iteration 31: trace = 4.462569920661402 (8.6856e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 -elapsed time for k point: 0.11091160774230957 +elapsed time for k point: 1.3459053039550781 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.47865855560369 (0.729587% change) + iteration 1: trace = 4.478658555603234 (0.729587% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.469039616061894 (0.215004% change) + iteration 2: trace = 4.469039616061645 (0.215004% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.465022814409071 (0.0899211% change) + iteration 3: trace = 4.465022814409098 (0.0899211% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.462099683144033 (0.0654888% change) + iteration 4: trace = 4.46209968314416 (0.0654888% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.460047398383344 (0.0460043% change) + iteration 5: trace = 4.46004739838343 (0.0460043% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.459144908738621 (0.020237% change) + iteration 6: trace = 4.459144908738708 (0.020237% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.458741257123136 (0.00905263% change) + iteration 7: trace = 4.458741257123237 (0.00905263% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.458626601085369 (0.00257152% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.458596309902293 (0.000679386% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.458587755438463 (0.000191865% change) + iteration 8: trace = 4.458626601085457 (0.00257152% change) + linmin: converged after 4 iterations. + iteration 9: trace = 4.45859630990237 (0.000679386% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.458585207924791 (5.71372e-05% change) + iteration 10: trace = 4.458587755438534 (0.000191865% change) + linmin: converged after 5 iterations. + iteration 11: trace = 4.458585207924873 (5.71372e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.458584490013294 (1.61018e-05% change) - linmin: converged after 3 iterations. - iteration 13: trace = 4.458584277334562 (4.7701e-06% change) + iteration 12: trace = 4.458584490013369 (1.61018e-05% change) + linmin: converged after 20 iterations. + iteration 13: trace = 4.458584277334642 (4.7701e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.458584200805784 (1.71644e-06% change) - linmin: converged after 3 iterations. - iteration 15: trace = 4.458584152120213 (1.09195e-06% change) + iteration 14: trace = 4.458584200805816 (1.71644e-06% change) + linmin: converged after 7 iterations. + iteration 15: trace = 4.458584152120324 (1.09195e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.458584133462059 (4.18477e-07% change) + iteration 16: trace = 4.45858413346214 (4.18478e-07% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.458584124789079 (1.94523e-07% change) - linmin: converged after 3 iterations. - iteration 18: trace = 4.458584118093341 (1.50176e-07% change) + iteration 17: trace = 4.458584124789168 (1.94523e-07% change) + linmin: converged after 4 iterations. + iteration 18: trace = 4.45858411809343 (1.50176e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.458584108088935 (2.24385e-07% change) + iteration 19: trace = 4.458584108089051 (2.24385e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.458584093759725 (3.21385e-07% change) - linmin: converged after 6 iterations. - iteration 21: trace = 4.45858407013488 (5.29873e-07% change) + iteration 20: trace = 4.458584093759836 (3.21385e-07% change) + linmin: converged after 2 iterations. + iteration 21: trace = 4.458584070134995 (5.29873e-07% change) large trace change predicted (1.49557e-06%) - linmin: converged after 14 iterations. - iteration 22: trace = 4.458584003453388 (1.49558e-06% change) + linmin: converged after 18 iterations. + iteration 22: trace = 4.458584003453497 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. - iteration 23: trace = 4.458583777244318 (5.07356e-06% change) + iteration 23: trace = 4.458583777244648 (5.07356e-06% change) near maximum in trace - linmin: converged after 12 iterations. - iteration 24: trace = 4.458459758086347 (0.00278162% change) - linmin: converged after 7 iterations. - iteration 25: trace = 4.45845809310336 (3.73444e-05% change) + linmin: converged after 14 iterations. + iteration 24: trace = 4.458459758258259 (0.00278162% change) + linmin: converged after 8 iterations. + iteration 25: trace = 4.458458093271729 (3.73444e-05% change) + linmin: converged after 5 iterations. + iteration 26: trace = 4.458456431479314 (3.72728e-05% change) + linmin: converged after 4 iterations. + iteration 27: trace = 4.458454776914217 (3.71107e-05% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.458456431314518 (3.72727e-05% change) + iteration 28: trace = 4.458453129860116 (3.69423e-05% change) linmin: converged after 7 iterations. - iteration 27: trace = 4.458454776753626 (3.71106e-05% change) + iteration 29: trace = 4.458451488445268 (3.68158e-05% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.45845312970436 (3.69422e-05% change) - linmin: converged after 5 iterations. - iteration 29: trace = 4.458451488295024 (3.68157e-05% change) - linmin: converged after 8 iterations. - iteration 30: trace = 4.458449849512655 (3.67568e-05% change) - linmin: converged after 5 iterations. - iteration 31: trace = 4.458448209807987 (3.67775e-05% change) + iteration 30: trace = 4.458449849656692 (3.67569e-05% change) linmin: converged after 5 iterations. - iteration 32: trace = 4.458446565441435 (3.6882e-05% change) + iteration 31: trace = 4.458448209945043 (3.67776e-05% change) + linmin: converged after 7 iterations. + iteration 32: trace = 4.458446565570727 (3.68822e-05% change) linmin: converged after 6 iterations. - iteration 33: trace = 4.458444912674558 (3.70705e-05% change) + iteration 33: trace = 4.458444912795196 (3.70707e-05% change) + linmin: converged after 6 iterations. + iteration 34: trace = 4.458443247983713 (3.73406e-05% change) linmin: converged after 5 iterations. - iteration 34: trace = 4.458443247872638 (3.73404e-05% change) - linmin: converged after 10 iterations. - iteration 35: trace = 4.458441567558344 (3.76884e-05% change) - linmin: converged after 10 iterations. - iteration 36: trace = 4.458439868437202 (3.81102e-05% change) - linmin: converged after 8 iterations. - iteration 37: trace = 4.458438147422839 (3.86013e-05% change) + iteration 35: trace = 4.458441567658865 (3.76886e-05% change) + linmin: converged after 6 iterations. + iteration 36: trace = 4.458439868528528 (3.81104e-05% change) linmin: converged after 6 iterations. - iteration 38: trace = 4.458436401632463 (3.9157e-05% change) + iteration 37: trace = 4.458438147500575 (3.86016e-05% change) + linmin: converged after 13 iterations. + iteration 38: trace = 4.458436401699788 (3.91572e-05% change) linmin: converged after 8 iterations. - iteration 39: trace = 4.458434628420673 (3.97721e-05% change) + iteration 39: trace = 4.458434628472027 (3.97724e-05% change) + linmin: converged after 9 iterations. + iteration 40: trace = 4.458432825407581 (4.04417e-05% change) + linmin: converged after 4 iterations. + iteration 41: trace = 4.458430990355236 (4.11591e-05% change) + linmin: converged after 4 iterations. + iteration 42: trace = 4.458429121450291 (4.19185e-05% change) + linmin: converged after 10 iterations. + iteration 43: trace = 4.458427217142107 (4.27125e-05% change) linmin: converged after 6 iterations. - iteration 40: trace = 4.458432825371669 (4.04413e-05% change) - linmin: converged after 5 iterations. - iteration 41: trace = 4.458430990336213 (4.11588e-05% change) + iteration 44: trace = 4.458425276228057 (4.35336e-05% change) linmin: converged after 6 iterations. - iteration 42: trace = 4.458429121450739 (4.1918e-05% change) + iteration 45: trace = 4.458423297905146 (4.43727e-05% change) linmin: converged after 5 iterations. - iteration 43: trace = 4.458427217170018 (4.27119e-05% change) - linmin: converged after 6 iterations. - iteration 44: trace = 4.45842527627803 (4.35331e-05% change) + iteration 46: trace = 4.458421281761492 (4.5221e-05% change) linmin: converged after 5 iterations. - iteration 45: trace = 4.458423297979061 (4.43722e-05% change) + iteration 47: trace = 4.458419227817391 (4.60689e-05% change) + linmin: converged after 5 iterations. + iteration 48: trace = 4.458417136633884 (4.69042e-05% change) + linmin: converged after 7 iterations. + iteration 49: trace = 4.458415009253079 (4.77161e-05% change) + linmin: converged after 12 iterations. + iteration 50: trace = 4.458412847235103 (4.8493e-05% change) linmin: converged after 9 iterations. - iteration 46: trace = 4.45842128183593 (4.5221e-05% change) + iteration 51: trace = 4.45841065266303 (4.92232e-05% change) linmin: converged after 5 iterations. - iteration 47: trace = 4.458419227918975 (4.60683e-05% change) + iteration 52: trace = 4.458408428168314 (4.98944e-05% change) + linmin: converged after 4 iterations. + iteration 53: trace = 4.458406176651217 (5.05005e-05% change) linmin: converged after 5 iterations. - iteration 48: trace = 4.458417136764045 (4.69035e-05% change) + iteration 54: trace = 4.458403901626262 (5.10278e-05% change) + linmin: converged after 11 iterations. + iteration 55: trace = 4.458401606872811 (5.14703e-05% change) linmin: converged after 7 iterations. - iteration 49: trace = 4.458415009413182 (4.77154e-05% change) + iteration 56: trace = 4.458399296427462 (5.18223e-05% change) + linmin: converged after 9 iterations. + iteration 57: trace = 4.45839697445953 (5.20808e-05% change) linmin: converged after 4 iterations. - iteration 50: trace = 4.458412847426382 (4.84923e-05% change) - linmin: converged after 7 iterations. - iteration 51: trace = 4.458410652879671 (4.92226e-05% change) - linmin: converged after 7 iterations. - iteration 52: trace = 4.45840842834688 (4.98952e-05% change) - linmin: converged after 5 iterations. - iteration 53: trace = 4.458406176863647 (5.04997e-05% change) - linmin: converged after 5 iterations. - iteration 54: trace = 4.458403901873035 (5.1027e-05% change) - linmin: converged after 18 iterations. - iteration 55: trace = 4.45840160715417 (5.14695e-05% change) - linmin: converged after 5 iterations. - iteration 56: trace = 4.45839929679653 (5.18203e-05% change) - linmin: converged after 5 iterations. - iteration 57: trace = 4.45839697486293 (5.208e-05% change) + iteration 58: trace = 4.45839464521191 (5.22441e-05% change) linmin: converged after 7 iterations. - iteration 58: trace = 4.458394645649191 (5.22433e-05% change) - linmin: converged after 12 iterations. - iteration 59: trace = 4.458392313342166 (5.23127e-05% change) + iteration 59: trace = 4.45839231287166 (5.23135e-05% change) linmin: converged after 5 iterations. - iteration 60: trace = 4.458389981994917 (5.22912e-05% change) + iteration 60: trace = 4.458389981481892 (5.22922e-05% change) linmin: converged after 6 iterations. - iteration 61: trace = 4.458387655402004 (5.21846e-05% change) - linmin: converged after 5 iterations. - iteration 62: trace = 4.458385337090715 (5.19989e-05% change) - linmin: converged after 5 iterations. - iteration 63: trace = 4.458383030228237 (5.17421e-05% change) - linmin: converged after 5 iterations. - iteration 64: trace = 4.458380737597496 (5.14229e-05% change) - linmin: converged after 5 iterations. - iteration 65: trace = 4.458378461580468 (5.10503e-05% change) + iteration 61: trace = 4.458387654857571 (5.21853e-05% change) + linmin: converged after 7 iterations. + iteration 62: trace = 4.458385336515951 (5.19996e-05% change) linmin: converged after 9 iterations. - iteration 66: trace = 4.458376204157597 (5.06333e-05% change) + iteration 63: trace = 4.458383029624313 (5.17428e-05% change) linmin: converged after 5 iterations. - iteration 67: trace = 4.458373966983598 (5.01791e-05% change) + iteration 64: trace = 4.458380736965614 (5.14236e-05% change) linmin: converged after 5 iterations. - iteration 68: trace = 4.45837175115985 (4.97003e-05% change) - linmin: converged after 13 iterations. - iteration 69: trace = 4.458369557643537 (4.92e-05% change) + iteration 65: trace = 4.458378460921876 (5.10509e-05% change) + linmin: converged after 10 iterations. + iteration 66: trace = 4.458376203473506 (5.06339e-05% change) + linmin: converged after 7 iterations. + iteration 67: trace = 4.458373966212359 (5.01811e-05% change) + linmin: converged after 9 iterations. + iteration 68: trace = 4.458371750365546 (4.97008e-05% change) + linmin: converged after 6 iterations. + iteration 69: trace = 4.458369556863608 (4.91996e-05% change) resetting CG direction... - large trace change predicted (0.0705974%) + large trace change predicted (0.0705969%) linmin: converged after 3 iterations. - iteration 70: trace = 4.455218396810412 (0.0707047% change) + iteration 70: trace = 4.455218417331746 (0.0707042% change) linmin: converged after 3 iterations. - iteration 71: trace = 4.454076270045077 (0.025639% change) + iteration 71: trace = 4.454076296259893 (0.0256389% change) linmin: converged after 3 iterations. - iteration 72: trace = 4.453233400311123 (0.0189253% change) + iteration 72: trace = 4.453233406692878 (0.0189258% change) linmin: converged after 3 iterations. - iteration 73: trace = 4.452750387012768 (0.0108469% change) + iteration 73: trace = 4.452750380913497 (0.0108472% change) linmin: converged after 3 iterations. - iteration 74: trace = 4.452486228782018 (0.00593265% change) + iteration 74: trace = 4.452486222085326 (0.00593266% change) linmin: converged after 3 iterations. - iteration 75: trace = 4.452381361974496 (0.00235527% change) + iteration 75: trace = 4.452381354921903 (0.00235528% change) linmin: converged after 3 iterations. - iteration 76: trace = 4.452332149411394 (0.00110531% change) + iteration 76: trace = 4.452332142006135 (0.00110532% change) linmin: converged after 3 iterations. - iteration 77: trace = 4.452312688637566 (0.000437093% change) + iteration 77: trace = 4.452312681237569 (0.000437093% change) linmin: converged after 3 iterations. - iteration 78: trace = 4.45230071607409 (0.000268907% change) + iteration 78: trace = 4.452300708973491 (0.0002689% change) linmin: converged after 3 iterations. - iteration 79: trace = 4.452288399612123 (0.000276632% change) - linmin: converged after 4 iterations. - iteration 80: trace = 4.452272809489926 (0.00035016% change) - linmin: converged after 5 iterations. - iteration 81: trace = 4.452249236224402 (0.000529467% change) + iteration 79: trace = 4.452288392860877 (0.000276624% change) linmin: converged after 3 iterations. - iteration 82: trace = 4.452204263419688 (0.00101012% change) - linmin: converged after 5 iterations. - iteration 83: trace = 4.452119848004346 (0.00189605% change) - linmin: converged after 23 iterations. - iteration 84: trace = 4.452030544098405 (0.00200589% change) + iteration 80: trace = 4.45227280294268 (0.000350156% change) linmin: converged after 4 iterations. - iteration 85: trace = 4.451975523041291 (0.00123587% change) + iteration 81: trace = 4.452249230430278 (0.00052945% change) linmin: converged after 3 iterations. - iteration 86: trace = 4.451956336662034 (0.000430964% change) - linmin: converged after 3 iterations. - iteration 87: trace = 4.451951182938001 (0.000115763% change) - linmin: converged after 5 iterations. - iteration 88: trace = 4.451949926952263 (2.8212e-05% change) - linmin: converged after 2 iterations. - iteration 89: trace = 4.451949633719559 (6.58661e-06% change) - linmin: converged after 2 iterations. - iteration 90: trace = 4.451949555041382 (1.76727e-06% change) - linmin: converged after 2 iterations. - iteration 91: trace = 4.451949527225949 (6.24792e-07% change) + iteration 82: trace = 4.452204259118691 (0.00101009% change) linmin: converged after 4 iterations. - iteration 92: trace = 4.451949519990793 (1.62517e-07% change) + iteration 83: trace = 4.452119844876349 (0.00189603% change) linmin: converged after 4 iterations. - iteration 93: trace = 4.45194951832263 (3.74704e-08% change) - linmin: converged after 23 iterations. - iteration 94: trace = 4.451949517532587 (1.7746e-08% change) - linmin: converged after 3 iterations. - iteration 95: trace = 4.45194951702074 (1.14972e-08% change) + iteration 84: trace = 4.452030543673131 (0.00200583% change) linmin: converged after 4 iterations. - iteration 96: trace = 4.451949516566152 (1.0211e-08% change) - linmin: converged after 2 iterations. - iteration 97: trace = 4.451949516312337 (5.70122e-09% change) - linmin: converged after 18 iterations. - iteration 98: trace = 4.45194951618685 (2.8187e-09% change) + iteration 85: trace = 4.45197552293584 (0.00123586% change) + linmin: converged after 5 iterations. + iteration 86: trace = 4.451956336682908 (0.000430961% change) linmin: converged after 3 iterations. - iteration 99: trace = 4.451949516112386 (1.67262e-09% change) - large trace change predicted (3.4224e-09%) + iteration 87: trace = 4.451951182937841 (0.000115764% change) linmin: converged after 4 iterations. - iteration 100: trace = 4.451949515960023 (3.42238e-09% change) - linmin: converged after 2 iterations. - iteration 101: trace = 4.451949515673266 (6.44116e-09% change) + iteration 88: trace = 4.451949926952084 (2.8212e-05% change) + linmin: converged after 5 iterations. + iteration 89: trace = 4.451949633716959 (6.58667e-06% change) linmin: converged after 8 iterations. - iteration 102: trace = 4.451949515254093 (9.4155e-09% change) + iteration 90: trace = 4.451949555039724 (1.76725e-06% change) linmin: converged after 2 iterations. - iteration 103: trace = 4.451949514776699 (1.07233e-08% change) + iteration 91: trace = 4.451949527224587 (6.24786e-07% change) + linmin: converged after 3 iterations. + iteration 92: trace = 4.451949519989509 (1.62515e-07% change) + linmin: converged after 3 iterations. + iteration 93: trace = 4.451949518321409 (3.7469e-08% change) + linmin: converged after 3 iterations. + iteration 94: trace = 4.451949517531421 (1.77448e-08% change) linmin: converged after 2 iterations. - iteration 104: trace = 4.451949514168536 (1.36606e-08% change) + iteration 95: trace = 4.451949517019614 (1.14963e-08% change) + linmin: converged after 3 iterations. + iteration 96: trace = 4.451949516565088 (1.02096e-08% change) + linmin: converged after 3 iterations. + iteration 97: trace = 4.45194951631131 (5.70039e-09% change) + linmin: converged after 4 iterations. + iteration 98: trace = 4.451949516185847 (2.81816e-09% change) + linmin: converged after 4 iterations. + iteration 99: trace = 4.451949516111416 (1.67188e-09% change) + large trace change predicted (3.42048e-09%) + linmin: converged after 4 iterations. + iteration 100: trace = 4.451949515959136 (3.42052e-09% change) + linmin: converged after 6 iterations. + iteration 101: trace = 4.451949515672546 (6.43739e-09% change) linmin: converged after 2 iterations. - iteration 105: trace = 4.45194951364144 (1.18397e-08% change) + iteration 102: trace = 4.451949515253594 (9.41055e-09% change) + linmin: converged after 3 iterations. + iteration 103: trace = 4.451949514776404 (1.07187e-08% change) + linmin: converged after 3 iterations. + iteration 104: trace = 4.45194951416843 (1.36564e-08% change) linmin: converged after 3 iterations. - iteration 106: trace = 4.451949513445264 (4.40653e-09% change) + iteration 105: trace = 4.451949513641427 (1.18376e-08% change) linmin: converged after 2 iterations. - iteration 107: trace = 4.451949513374775 (1.58334e-09% change) + iteration 106: trace = 4.451949513445262 (4.40627e-09% change) + linmin: converged after 12 iterations. + iteration 107: trace = 4.451949513374777 (1.58324e-09% change) linmin: converged after 7 iterations. - iteration 108: trace = 4.451949513356686 (4.06308e-10% change) + iteration 108: trace = 4.451949513356691 (4.06248e-10% change) linmin: converged after 3 iterations. - iteration 109: trace = 4.451949513352735 (8.8739e-11% change) + iteration 109: trace = 4.45194951335274 (8.8759e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.2973320484161377 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0> -Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% -Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% -Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% -total elapsed time for run: 3.341460704803467 +elapsed time for k point: 3.0503506660461426 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117477 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 2 range: 0.4924342823622063 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5269710506448819 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212523 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6568031427446029 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 5 range: 0.7383774303752576 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802595 at Vector3<0.0, 0.5, 0.0> +Band 6 range: 0.8259787164701542 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 7 range: 0.8271634538840895 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529579 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 8 range: 0.9984200611839876 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079054 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.2993049473117477) to band 2 (0.4924342823622063), 48.78609719263024% +Gap from band 5 (0.7988168792802595) to band 6 (0.8259787164701542), 3.343415905475791% +Gap from band 7 (0.9834563303529579) to band 8 (0.9984200611839876), 1.5100569233205687% +total elapsed time for run: 16.85823130607605 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92477,7 +92501,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0026094913482666016 +elapsed time for initialization: 0.019101619720458984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -92546,7 +92570,7 @@ iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -elapsed time for k point: 0.08631253242492676 +elapsed time for k point: 0.6145899295806885 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92591,7 +92615,7 @@ iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 -elapsed time for k point: 0.07315230369567871 +elapsed time for k point: 0.4629533290863037 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92628,7 +92652,7 @@ iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 -elapsed time for k point: 0.05844879150390625 +elapsed time for k point: 0.405071496963501 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92661,7 +92685,7 @@ iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 -elapsed time for k point: 0.19239497184753418 +elapsed time for k point: 0.2155754566192627 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92692,7 +92716,7 @@ iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 -elapsed time for k point: 0.047783851623535156 +elapsed time for k point: 0.1309058666229248 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92727,7 +92751,7 @@ iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 -elapsed time for k point: 0.05487060546875 +elapsed time for k point: 0.12723612785339355 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92760,7 +92784,7 @@ iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.05135703086853027 +elapsed time for k point: 0.16318655014038086 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92795,7 +92819,7 @@ iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 -elapsed time for k point: 0.05502939224243164 +elapsed time for k point: 0.14046597480773926 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92830,7 +92854,7 @@ iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 -elapsed time for k point: 0.05511665344238281 +elapsed time for k point: 0.13450193405151367 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92867,7 +92891,7 @@ iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 -elapsed time for k point: 0.058333635330200195 +elapsed time for k point: 0.14159393310546875 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92929,7 +92953,7 @@ iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 -elapsed time for k point: 0.14429354667663574 +elapsed time for k point: 0.2585127353668213 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92964,7 +92988,7 @@ iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 -elapsed time for k point: 0.055150508880615234 +elapsed time for k point: 0.23771071434020996 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -92995,7 +93019,7 @@ iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 -elapsed time for k point: 0.19083929061889648 +elapsed time for k point: 0.342134952545166 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93026,7 +93050,7 @@ iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 -elapsed time for k point: 0.048459529876708984 +elapsed time for k point: 0.22243165969848633 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93067,7 +93091,7 @@ iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 -elapsed time for k point: 0.0676875114440918 +elapsed time for k point: 0.3586616516113281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -93135,7 +93159,7 @@ iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -.elapsed time for k point: 0.27460145950317383 +.elapsed time for k point: 0.2552170753479004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> @@ -93150,11 +93174,11 @@ Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% -total elapsed time for run: 1.517915964126587 +total elapsed time for run: 4.233124256134033 done -/tmp/meepFBAM2J/test_tri_holes-0: 4.86s +/tmp/meepYM7cP9/test_tri_holes-0: 21.10s -/tmp/meepFBAM2J/test_tri_rods-0 +/tmp/meepYM7cP9/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93196,7 +93220,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018525123596191406 +elapsed time for initialization: 0.008077383041381836 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -93251,7 +93275,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06749916076660156 +elapsed time for k point: 0.4040241241455078 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93292,7 +93316,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.06551933288574219 +elapsed time for k point: 0.3864624500274658 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93327,7 +93351,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.059893131256103516 +elapsed time for k point: 0.22473907470703125 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93360,7 +93384,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.20642614364624023 +elapsed time for k point: 0.2244560718536377 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93391,7 +93415,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.25809407234191895 +elapsed time for k point: 0.20298314094543457 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93422,7 +93446,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.04788017272949219 +elapsed time for k point: 0.1956648826599121 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93451,7 +93475,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04513883590698242 +elapsed time for k point: 0.2231743335723877 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93480,7 +93504,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04439949989318848 +elapsed time for k point: 0.31380391120910645 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93505,7 +93529,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.037358760833740234 +elapsed time for k point: 0.1770486831665039 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93530,7 +93554,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.12113690376281738 +elapsed time for k point: 0.3413825035095215 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93553,23 +93577,23 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.033856868743896484 +elapsed time for k point: 0.4155251979827881 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93596,7 +93620,7 @@ iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.041033267974853516 +elapsed time for k point: 0.40541982650756836 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93625,7 +93649,7 @@ iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.10281491279602051 +elapsed time for k point: 0.3183577060699463 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93656,7 +93680,7 @@ iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04856586456298828 +elapsed time for k point: 0.15732526779174805 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93695,7 +93719,7 @@ iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.062056779861450195 +elapsed time for k point: 0.3742225170135498 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93732,7 +93756,7 @@ iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.4000577926635742 +elapsed time for k point: 0.28982973098754883 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> @@ -93746,7 +93770,7 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 1.7075068950653076 +total elapsed time for run: 4.834475040435791 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93796,7 +93820,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0019404888153076172 +elapsed time for initialization: 0.008716106414794922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -93915,7 +93939,7 @@ iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.30965113639831543 +elapsed time for k point: 1.0015947818756104 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93982,7 +94006,7 @@ iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 -elapsed time for k point: 0.11714458465576172 +elapsed time for k point: 0.6386895179748535 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94045,7 +94069,7 @@ iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 -elapsed time for k point: 0.3233768939971924 +elapsed time for k point: 0.8576011657714844 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94100,7 +94124,7 @@ iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 -elapsed time for k point: 0.38509631156921387 +elapsed time for k point: 1.0221152305603027 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94151,7 +94175,7 @@ iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 -elapsed time for k point: 0.1676316261291504 +elapsed time for k point: 0.9563169479370117 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94200,7 +94224,7 @@ iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 -elapsed time for k point: 0.08700108528137207 +elapsed time for k point: 1.2201013565063477 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94253,7 +94277,7 @@ iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 -elapsed time for k point: 0.21902155876159668 +elapsed time for k point: 1.5896086692810059 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94306,7 +94330,7 @@ iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 -elapsed time for k point: 0.2778165340423584 +elapsed time for k point: 1.7435364723205566 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94357,7 +94381,7 @@ iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 -elapsed time for k point: 0.09108161926269531 +elapsed time for k point: 0.7055768966674805 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94406,7 +94430,7 @@ iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 -elapsed time for k point: 0.1454944610595703 +elapsed time for k point: 1.172276258468628 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94449,7 +94473,7 @@ iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 -elapsed time for k point: 0.17312169075012207 +elapsed time for k point: 1.6829190254211426 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94496,7 +94520,7 @@ iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 -elapsed time for k point: 0.34491920471191406 +elapsed time for k point: 1.7602300643920898 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94545,7 +94569,7 @@ iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 -elapsed time for k point: 0.4016292095184326 +elapsed time for k point: 0.5386579036712646 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94604,7 +94628,7 @@ iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 -elapsed time for k point: 0.0974893569946289 +elapsed time for k point: 0.4062623977661133 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94675,7 +94699,7 @@ iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 -elapsed time for k point: 0.25391054153442383 +elapsed time for k point: 0.5171282291412354 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94750,7 +94774,7 @@ iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.09675431251525879 +elapsed time for k point: 0.34584879875183105 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> @@ -94761,7 +94785,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% -total elapsed time for run: 3.494719982147217 +total elapsed time for run: 16.17631435394287 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94771,9 +94795,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepFBAM2J/test_tri_rods-0: 5.22s +./tmp/meepYM7cP9/test_tri_rods-0: 21.09s -/tmp/meepFBAM2J/test_triangular_lattice-0 +/tmp/meepYM7cP9/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94816,7 +94840,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017921924591064453 +elapsed time for initialization: 0.00481414794921875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -94871,7 +94895,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06793713569641113 +elapsed time for k point: 0.2510242462158203 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94912,7 +94936,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.06551074981689453 +elapsed time for k point: 0.9357602596282959 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94947,7 +94971,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.09832382202148438 +elapsed time for k point: 0.7819046974182129 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94980,7 +95004,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.05142855644226074 +elapsed time for k point: 0.5017671585083008 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95011,7 +95035,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04807400703430176 +elapsed time for k point: 0.3254365921020508 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95042,7 +95066,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.048036813735961914 +elapsed time for k point: 0.31293559074401855 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95071,7 +95095,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04438972473144531 +elapsed time for k point: 0.3489663600921631 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95100,7 +95124,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04421377182006836 +elapsed time for k point: 0.4770529270172119 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95125,7 +95149,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03739786148071289 +elapsed time for k point: 0.6199686527252197 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95150,7 +95174,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.14470171928405762 +elapsed time for k point: 0.6401524543762207 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95173,7 +95197,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.038979530334472656 +elapsed time for k point: 0.19122910499572754 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95200,7 +95224,7 @@ iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.2861499786376953 +elapsed time for k point: 0.35372185707092285 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95229,7 +95253,7 @@ iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04825615882873535 +elapsed time for k point: 0.19769501686096191 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95260,7 +95284,7 @@ iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.058219194412231445 +elapsed time for k point: 0.44675374031066895 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95299,7 +95323,7 @@ iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.1913459300994873 +elapsed time for k point: 0.39887571334838867 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95386,13 +95410,13 @@ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ -AssertionError: -0.9945407488966614 != -0.9950905165813094 within 3 places (0.0005497676846479838 difference) +AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- -Ran 47 tests in 400.078s +Ran 47 tests in 2836.405s FAILED (failures=4) -elapsed time for k point: 0.04538249969482422 +elapsed time for k point: 0.3977534770965576 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> @@ -95406,15 +95430,15 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 1.3213436603546143 +total elapsed time for run: 7.189779996871948 done -/tmp/meepFBAM2J/test_triangular_lattice-0: 1.32s +/tmp/meepYM7cP9/test_triangular_lattice-0: 7.19s -/tmp/meepFBAM2J/test_update_band_range_data-0 +/tmp/meepYM7cP9/test_update_band_range_data-0 ======================== -/tmp/meepFBAM2J/test_update_band_range_data-0: 0.00s +/tmp/meepYM7cP9/test_update_band_range_data-0: 0.00s -Elapsed run time = 400.1077 s +Elapsed run time = 2836.7451 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95479,7 +95503,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) @@ -95509,7 +95533,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' @@ -95521,9 +95545,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) @@ -95543,9 +95567,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) @@ -95572,9 +95596,9 @@ Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) @@ -95640,30 +95664,30 @@ debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyTuple_New: it's probably a plugin -dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GetIter: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyErr_Occurred: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyCapsule_GetPointer: it's probably a plugin +dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95671,12 +95695,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/2341410 and its subdirectories -I: Current time: Sun Apr 12 01:45:10 -12 2026 -I: pbuilder-time-stamp: 1776001510 +I: removing directory /srv/workspace/pbuilder/1726365 and its subdirectories +I: Current time: Tue Mar 11 06:44:18 +14 2025 +I: pbuilder-time-stamp: 1741625058 Compressing the 2nd log... /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/amd64/meep_1.29.0-1.diff: 86.0% -- replaced with /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/amd64/meep_1.29.0-1.diff.gz b2/build.log: 84.7% -- replaced with stdout Compressing the 1st log... b1/build.log: 84.7% -- replaced with stdout Mon Mar 10 16:44:23 UTC 2025 I: diffoscope 289 will be used to compare the two builds: ++ date -u +%s + DIFFOSCOPE_STAMP=/var/log/reproducible-builds/diffoscope_stamp_meep_trixie_amd64_1741625063 + touch /var/log/reproducible-builds/diffoscope_stamp_meep_trixie_amd64_1741625063 + RESULT=0 + systemd-run '--description=diffoscope on meep/1.29.0-1 in trixie/amd64' --slice=rb-build-diffoscope.slice -u rb-diffoscope-amd64_4-47386 '--property=SuccessExitStatus=1 124' --user --send-sighup --pipe --wait -E TMPDIR timeout 155m nice schroot --directory /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9 --run-session -c jenkins-reproducible-trixie-diffoscope-f007334b-b4d2-41d1-8d0f-def1b2657232 -- sh -c 'export TMPDIR=/srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/dbd-tmp-61aS1p9 ; timeout 150m diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1/meep_1.29.0-1_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2/meep_1.29.0-1_amd64.changes' + false + set +x Running as unit: rb-diffoscope-amd64_4-47386.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/meep_1.29.0-1.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1/meep_1.29.0-1_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2/meep_1.29.0-1_amd64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call diffoscope.comparators.binary.FilesystemFile ## main (total time: 0.003s) 0.003s 2 calls outputs 0.000s 1 call cleanup Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 230ms CPU time consumed: 231ms _ __ ___ ___ ___ _ __ | '_ ` _ \ / _ \/ _ \ '_ \ | | | | | | __/ __/ |_) | |_| |_| |_|\___|\___| .__/ |_| Mon Mar 10 16:44:24 UTC 2025 I: diffoscope 289 found no differences in the changes files, and a .buildinfo file also exists. Mon Mar 10 16:44:24 UTC 2025 I: meep from trixie built successfully and reproducibly on amd64. INSERT 0 1 INSERT 0 1 DELETE 1 [2025-03-10 16:44:24] INFO: Starting at 2025-03-10 16:44:24.976546 [2025-03-10 16:44:25] INFO: Generating the pages of 1 package(s) [2025-03-10 16:44:25] ERROR: Either /var/lib/jenkins/userContent/reproducible/debian/logs/unstable/i386/meep_1.29.0-1.build2.log.gz or /var/lib/jenkins/userContent/reproducible/debian/logdiffs/unstable/i386/meep_1.29.0-1.diff.gz is missing [2025-03-10 16:44:25] CRITICAL: https://tests.reproducible-builds.org/debian/trixie/amd64/meep didn't produce a buildlog, even though it has been built. [2025-03-10 16:44:25] ERROR: Either /var/lib/jenkins/userContent/reproducible/debian/logs/trixie/i386/meep_1.29.0-1.build2.log.gz or /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/i386/meep_1.29.0-1.diff.gz is missing [2025-03-10 16:44:25] INFO: Finished at 2025-03-10 16:44:25.613089, took: 0:00:00.636551 Mon Mar 10 16:44:25 UTC 2025 - successfully updated the database and updated https://tests.reproducible-builds.org/debian/rb-pkg/trixie/amd64/meep.html Mon Mar 10 16:44:25 UTC 2025 I: Submitting .buildinfo files to external archives: Mon Mar 10 16:44:25 UTC 2025 I: Submitting 16K b1/meep_1.29.0-1_amd64.buildinfo.asc https://buildinfo.debian.net/8f5c14166df8a067b926658f49e1538e369ffc6a/meep_1.29.0-1_amd64 Mon Mar 10 16:44:26 UTC 2025 I: Submitting 16K b2/meep_1.29.0-1_amd64.buildinfo.asc https://buildinfo.debian.net/f55b5ee0392f981478ce213e0ed17422cb168905/meep_1.29.0-1_amd64 Mon Mar 10 16:44:28 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Mon Mar 10 16:44:28 UTC 2025 I: Done submitting .buildinfo files. Mon Mar 10 16:44:28 UTC 2025 I: Removing signed meep_1.29.0-1_amd64.buildinfo.asc files: removed './b1/meep_1.29.0-1_amd64.buildinfo.asc' removed './b2/meep_1.29.0-1_amd64.buildinfo.asc' 1741625068 amd64 trixie meep Starting cleanup. /var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/amd64/meep_1.29.0-1.rbuild.log: 84.7% -- replaced with /var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/amd64/meep_1.29.0-1.rbuild.log.gz [2025-03-10 16:44:28] INFO: Starting at 2025-03-10 16:44:28.825377 [2025-03-10 16:44:28] INFO: Generating the pages of 1 package(s) [2025-03-10 16:44:29] ERROR: Either /var/lib/jenkins/userContent/reproducible/debian/logs/unstable/i386/meep_1.29.0-1.build2.log.gz or /var/lib/jenkins/userContent/reproducible/debian/logdiffs/unstable/i386/meep_1.29.0-1.diff.gz is missing [2025-03-10 16:44:29] ERROR: Either /var/lib/jenkins/userContent/reproducible/debian/logs/trixie/i386/meep_1.29.0-1.build2.log.gz or /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/i386/meep_1.29.0-1.diff.gz is missing [2025-03-10 16:44:29] INFO: Finished at 2025-03-10 16:44:29.375289, took: 0:00:00.549920 All cleanup done. Mon Mar 10 16:44:29 UTC 2025 - total duration: 10h 2m 27s. Mon Mar 10 16:44:29 UTC 2025 - reproducible_build.sh stopped running as /tmp/jenkins-script-oEsnhq41, removing. Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 10h 2min 32.144s CPU time consumed: 11.740s